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 3pq6_1_B DATA FIRST_RESID 28 DATA SEQUENCE SLAPEDGSHR PAAEPTPPGA QPTAPGSLKA PDTRNEKLNS LEDVRKGSEN DATA SEQUENCE YALTTNQGVR IADDQNSLRA GSRGPTLLED FILREKITHF DHERIPERIV DATA SEQUENCE HARGSAAHGY FQPYKSLSDI TKADFLSDPN KITPVFVRFS TVQGGAGSAD DATA SEQUENCE TVRDIRGFAT KFYTEEGIFD LVGNNTPIFF IQDAHKFPDF VHAVKPEPHW DATA SEQUENCE AIPQGQSAHD TFWDYVSLQP ETLHNVMWAM SDRGIPRSYR TMEGFGCHTF DATA SEQUENCE RLINAEGKAT FVRFHWKPLA GKASLVWDEA QKLTGRDPDF HRRELWEAIE DATA SEQUENCE AGDFPEYELG FQLIPEEDEF KFDFDLLDPT KLIPEELVPV QRVGKMVLNR DATA SEQUENCE NPDNFFAENE QAAFHPGHIV PGLDFTNDPL LQGRLFSYTD TQISRLGGPN DATA SEQUENCE FHEIPINRPT APYHNFQRDG MHRMGIDTNP ANYEPNSIND NWPRETPPGP DATA SEQUENCE KRGGFESYQE RVEGNKVRER SPSFGEYYSH PRLFWLSQTP FEQRHIVDGF DATA SEQUENCE SFELSKVVRP YIRERVVDQL AHIDLTLAQA VAKNLGIELT DDQLNITPPP DATA SEQUENCE DVNGLKKDPS LSLYAIPDGD VKGRVVAILL NDEVRSADLL AILKALKAKG DATA SEQUENCE VHAKLLYSRM GEVTADDGTV LPIAATFAGA PSLTVDAVIV PAGNIADIAD DATA SEQUENCE NGDANYYLME AYKHLKPIAL AGDARKFKAT IKIADQGEEG IVEADSADGS DATA SEQUENCE FMDELLTLMA AHRVWSRIPK IDKIPA 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 28 S HA 0.000 nan 4.470 nan 0.000 0.327 28 S C 0.000 174.565 174.600 -0.059 0.000 1.055 28 S CA 0.000 58.174 58.200 -0.044 0.000 1.107 28 S CB 0.000 63.173 63.200 -0.045 0.000 0.593 29 L N 2.882 124.062 121.223 -0.070 0.000 2.477 29 L HA 0.440 4.812 4.340 0.053 0.000 0.220 29 L C 1.510 178.302 176.870 -0.129 0.000 1.106 29 L CA 0.449 55.242 54.840 -0.078 0.000 0.851 29 L CB -0.503 41.522 42.059 -0.057 0.000 0.994 29 L HN 0.752 nan 8.230 nan 0.000 0.462 30 A N 1.576 124.269 122.820 -0.210 0.000 2.386 30 A HA 0.399 4.751 4.320 0.053 0.000 0.248 30 A C -2.061 175.359 177.584 -0.273 0.000 1.082 30 A CA -0.876 50.910 52.037 -0.419 0.000 0.789 30 A CB -0.505 17.985 19.000 -0.850 0.000 1.025 30 A HN -0.026 nan 8.150 nan 0.000 0.490 31 P HA 0.152 nan 4.420 nan 0.000 0.275 31 P C 0.320 177.588 177.300 -0.053 0.000 1.227 31 P CA -0.181 62.868 63.100 -0.084 0.000 0.781 31 P CB 1.022 32.714 31.700 -0.013 0.000 0.906 32 E N 2.327 122.510 120.200 -0.029 0.000 2.136 32 E HA -0.269 4.113 4.350 0.053 0.000 0.208 32 E C 1.133 177.746 176.600 0.022 0.000 1.035 32 E CA 2.334 58.731 56.400 -0.006 0.000 0.838 32 E CB -0.622 29.075 29.700 -0.005 0.000 0.748 32 E HN 0.611 nan 8.360 nan 0.000 0.459 33 D N -1.772 118.648 120.400 0.033 0.000 2.363 33 D HA 0.042 4.714 4.640 0.053 0.000 0.226 33 D C 1.260 177.607 176.300 0.079 0.000 1.020 33 D CA 0.970 54.998 54.000 0.045 0.000 0.892 33 D CB -0.384 40.438 40.800 0.035 0.000 0.900 33 D HN 0.313 nan 8.370 nan 0.000 0.531 34 G N 0.273 109.159 108.800 0.143 0.000 2.168 34 G HA2 -0.357 3.635 3.960 0.053 0.000 0.263 34 G HA3 -0.357 3.635 3.960 0.053 0.000 0.263 34 G C 1.008 176.028 174.900 0.200 0.000 0.977 34 G CA 0.827 46.069 45.100 0.235 0.000 0.659 34 G HN 0.724 nan 8.290 nan 0.000 0.533 35 S N 0.592 116.405 115.700 0.189 0.000 2.607 35 S HA 0.027 4.529 4.470 0.053 0.000 0.224 35 S C 1.863 176.533 174.600 0.116 0.000 0.969 35 S CA 1.028 59.288 58.200 0.101 0.000 0.927 35 S CB -0.496 62.747 63.200 0.071 0.000 0.772 35 S HN 0.913 nan 8.310 nan 0.000 0.533 36 H N 0.924 120.001 119.070 0.011 0.000 2.502 36 H HA 0.279 4.867 4.556 0.053 0.000 0.283 36 H C 0.794 176.133 175.328 0.019 0.000 1.015 36 H CA 0.268 56.324 56.048 0.013 0.000 1.298 36 H CB -0.316 29.452 29.762 0.011 0.000 1.411 36 H HN 0.354 nan 8.280 nan 0.000 0.556 37 R N 2.260 122.465 120.500 -0.491 0.000 2.295 37 R HA 0.373 4.745 4.340 0.053 0.000 0.324 37 R C -2.682 173.527 176.300 -0.151 0.000 0.968 37 R CA -1.986 53.881 56.100 -0.388 0.000 0.837 37 R CB 1.013 30.994 30.300 -0.531 0.000 1.133 37 R HN 0.099 nan 8.270 nan 0.000 0.450 38 P HA 0.165 nan 4.420 nan 0.000 0.275 38 P C -1.100 176.191 177.300 -0.014 0.000 1.228 38 P CA -0.403 62.686 63.100 -0.018 0.000 0.786 38 P CB 1.175 32.888 31.700 0.022 0.000 0.927 39 A N 2.523 125.342 122.820 -0.002 0.000 2.477 39 A HA 0.408 4.760 4.320 0.053 0.000 0.246 39 A C 0.827 178.422 177.584 0.018 0.000 1.078 39 A CA 0.035 52.075 52.037 0.004 0.000 0.770 39 A CB -0.403 18.602 19.000 0.008 0.000 1.011 39 A HN 0.567 nan 8.150 nan 0.000 0.494 40 A N 3.178 126.008 122.820 0.017 0.000 3.118 40 A HA 0.491 4.843 4.320 0.053 0.000 0.256 40 A C 0.341 177.944 177.584 0.031 0.000 1.667 40 A CA 0.125 52.178 52.037 0.027 0.000 1.338 40 A CB -0.878 18.135 19.000 0.022 0.000 1.127 40 A HN 0.882 nan 8.150 nan 0.000 0.634 41 E N -0.106 120.115 120.200 0.035 0.000 2.392 41 E HA 0.499 4.881 4.350 0.053 0.000 0.279 41 E C -3.278 173.345 176.600 0.039 0.000 0.964 41 E CA -2.445 53.976 56.400 0.036 0.000 0.777 41 E CB 1.342 31.058 29.700 0.026 0.000 1.249 41 E HN 0.101 nan 8.360 nan 0.000 0.449 42 P HA 0.055 nan 4.420 nan 0.000 0.267 42 P C -0.557 176.753 177.300 0.017 0.000 1.205 42 P CA 0.194 63.311 63.100 0.029 0.000 0.765 42 P CB 0.689 32.393 31.700 0.007 0.000 0.828 43 T N 0.364 114.925 114.554 0.011 0.000 2.916 43 T HA 0.577 4.959 4.350 0.053 0.000 0.305 43 T C -2.941 171.735 174.700 -0.040 0.000 1.119 43 T CA -2.477 59.623 62.100 0.000 0.000 1.008 43 T CB 1.573 70.447 68.868 0.009 0.000 1.129 43 T HN 0.134 nan 8.240 nan 0.000 0.480 44 P HA 0.341 nan 4.420 nan 0.000 0.272 44 P C -2.745 174.418 177.300 -0.229 0.000 1.240 44 P CA -1.509 61.443 63.100 -0.248 0.000 0.791 44 P CB -0.998 30.610 31.700 -0.153 0.000 0.978 45 P HA 0.072 nan 4.420 nan 0.000 0.264 45 P C 1.039 178.293 177.300 -0.078 0.000 1.193 45 P CA 1.432 64.435 63.100 -0.163 0.000 0.763 45 P CB -0.238 31.362 31.700 -0.166 0.000 0.810 46 G N 2.905 111.688 108.800 -0.028 0.000 2.205 46 G HA2 -0.344 3.648 3.960 0.053 0.000 0.261 46 G HA3 -0.344 3.648 3.960 0.053 0.000 0.261 46 G C 1.123 176.021 174.900 -0.003 0.000 0.980 46 G CA 0.398 45.495 45.100 -0.006 0.000 0.632 46 G HN 0.660 nan 8.290 nan 0.000 0.533 47 A N -1.202 121.612 122.820 -0.010 0.000 1.970 47 A HA 0.432 4.784 4.320 0.053 0.000 0.216 47 A C 1.336 178.924 177.584 0.006 0.000 1.170 47 A CA 1.902 53.938 52.037 -0.002 0.000 0.645 47 A CB 0.034 19.031 19.000 -0.005 0.000 0.816 47 A HN 0.488 nan 8.150 nan 0.000 0.447 48 Q N -0.971 118.836 119.800 0.012 0.000 2.456 48 Q HA 0.438 4.810 4.340 0.053 0.000 0.283 48 Q C -2.968 173.047 176.000 0.025 0.000 1.084 48 Q CA -2.015 53.799 55.803 0.018 0.000 0.801 48 Q CB 1.167 29.919 28.738 0.024 0.000 1.434 48 Q HN 0.072 nan 8.270 nan 0.000 0.419 49 P HA 0.064 nan 4.420 nan 0.000 0.271 49 P C -0.257 177.073 177.300 0.050 0.000 1.218 49 P CA -0.013 63.101 63.100 0.024 0.000 0.780 49 P CB 0.301 32.012 31.700 0.018 0.000 0.901 50 T N -0.674 113.910 114.554 0.049 0.000 2.828 50 T HA 0.634 5.016 4.350 0.053 0.000 0.290 50 T C -0.075 174.710 174.700 0.142 0.000 1.019 50 T CA -0.541 61.637 62.100 0.130 0.000 1.031 50 T CB 0.704 69.602 68.868 0.049 0.000 1.001 50 T HN 0.564 nan 8.240 nan 0.000 0.531 51 A N 1.639 124.647 122.820 0.313 0.000 2.606 51 A HA 0.760 5.112 4.320 0.053 0.000 0.293 51 A C -3.059 174.785 177.584 0.433 0.000 1.082 51 A CA -1.991 50.205 52.037 0.264 0.000 0.685 51 A CB 0.748 19.850 19.000 0.170 0.000 1.284 51 A HN 0.667 nan 8.150 nan 0.000 0.408 52 P HA 0.137 nan 4.420 nan 0.000 0.265 52 P C 1.174 178.624 177.300 0.250 0.000 1.187 52 P CA 0.803 64.119 63.100 0.361 0.000 0.766 52 P CB 0.604 32.437 31.700 0.223 0.000 0.820 53 G N 1.669 110.576 108.800 0.178 0.000 2.432 53 G HA2 -0.236 3.757 3.960 0.053 0.000 0.219 53 G HA3 -0.236 3.757 3.960 0.053 0.000 0.219 53 G C 1.466 176.384 174.900 0.029 0.000 1.135 53 G CA 0.910 46.029 45.100 0.033 0.000 0.767 53 G HN 0.585 nan 8.290 nan 0.000 0.550 54 S N 0.115 115.837 115.700 0.036 0.000 2.453 54 S HA 0.133 4.635 4.470 0.053 0.000 0.231 54 S C 2.194 176.812 174.600 0.031 0.000 1.005 54 S CA 0.556 58.762 58.200 0.010 0.000 0.949 54 S CB -0.177 63.022 63.200 -0.001 0.000 0.774 54 S HN 0.303 nan 8.310 nan 0.000 0.510 55 L N -0.012 121.247 121.223 0.059 0.000 2.249 55 L HA 0.222 4.594 4.340 0.053 0.000 0.207 55 L C 2.706 179.609 176.870 0.055 0.000 1.090 55 L CA 0.849 55.722 54.840 0.056 0.000 0.802 55 L CB -0.361 41.740 42.059 0.069 0.000 0.947 55 L HN 0.237 nan 8.230 nan 0.000 0.453 56 K N 1.408 121.852 120.400 0.073 0.000 2.062 56 K HA 0.015 4.367 4.320 0.053 0.000 0.205 56 K C 0.786 177.416 176.600 0.051 0.000 1.051 56 K CA 1.338 57.669 56.287 0.072 0.000 0.941 56 K CB 0.063 32.622 32.500 0.100 0.000 0.719 56 K HN 0.159 nan 8.250 nan 0.000 0.440 57 A N 0.612 123.455 122.820 0.037 0.000 3.355 57 A HA 0.356 4.708 4.320 0.053 0.000 0.290 57 A C -2.197 175.393 177.584 0.010 0.000 0.973 57 A CA -1.015 51.040 52.037 0.030 0.000 0.933 57 A CB 0.543 19.564 19.000 0.035 0.000 1.138 57 A HN 0.122 nan 8.150 nan 0.000 0.490 58 P HA -0.118 nan 4.420 nan 0.000 0.219 58 P C 0.151 177.445 177.300 -0.010 0.000 1.146 58 P CA 1.294 64.394 63.100 0.000 0.000 0.808 58 P CB 0.324 32.028 31.700 0.007 0.000 0.779 59 D N -1.440 118.959 120.400 -0.002 0.000 2.349 59 D HA 0.033 4.705 4.640 0.053 0.000 0.214 59 D C 0.152 176.442 176.300 -0.017 0.000 1.063 59 D CA 0.431 54.426 54.000 -0.008 0.000 0.847 59 D CB -0.302 40.500 40.800 0.003 0.000 0.933 59 D HN 0.079 nan 8.370 nan 0.000 0.513 60 T N 2.723 117.264 114.554 -0.022 0.000 2.752 60 T HA 0.270 4.652 4.350 0.053 0.000 0.295 60 T C 0.470 175.128 174.700 -0.069 0.000 0.923 60 T CA -0.278 61.796 62.100 -0.044 0.000 1.112 60 T CB 0.911 69.751 68.868 -0.048 0.000 0.884 60 T HN -0.134 nan 8.240 nan 0.000 0.525 61 R N 3.157 123.610 120.500 -0.078 0.000 2.837 61 R HA 0.645 5.017 4.340 0.053 0.000 0.271 61 R C -0.496 175.747 176.300 -0.095 0.000 0.993 61 R CA -1.012 55.035 56.100 -0.088 0.000 0.931 61 R CB 1.844 32.099 30.300 -0.074 0.000 1.206 61 R HN 0.817 nan 8.270 nan 0.000 0.474 62 N N -2.091 116.554 118.700 -0.092 0.000 3.020 62 N HA 0.043 4.815 4.740 0.053 0.000 0.248 62 N C 0.193 175.656 175.510 -0.078 0.000 1.480 62 N CA -0.818 52.190 53.050 -0.070 0.000 0.874 62 N CB 0.837 39.314 38.487 -0.016 0.000 1.433 62 N HN 0.572 nan 8.380 nan 0.000 0.530 63 E N -0.347 119.821 120.200 -0.054 0.000 2.118 63 E HA -0.257 4.125 4.350 0.053 0.000 0.195 63 E C 1.020 177.546 176.600 -0.124 0.000 0.992 63 E CA 1.404 57.766 56.400 -0.063 0.000 0.804 63 E CB 0.107 29.795 29.700 -0.019 0.000 0.741 63 E HN 0.497 nan 8.360 nan 0.000 0.458 64 K N 0.621 120.909 120.400 -0.186 0.000 2.031 64 K HA -0.066 4.286 4.320 0.053 0.000 0.205 64 K C 2.057 178.481 176.600 -0.293 0.000 1.049 64 K CA 1.045 57.121 56.287 -0.352 0.000 0.939 64 K CB -0.337 31.782 32.500 -0.635 0.000 0.717 64 K HN 0.154 nan 8.250 nan 0.000 0.438 65 L N 0.815 121.883 121.223 -0.258 0.000 2.046 65 L HA -0.185 4.187 4.340 0.053 0.000 0.208 65 L C 1.857 178.606 176.870 -0.201 0.000 1.077 65 L CA 1.192 55.855 54.840 -0.296 0.000 0.747 65 L CB -0.587 41.298 42.059 -0.290 0.000 0.896 65 L HN 0.252 nan 8.230 nan 0.000 0.432 66 N N -0.207 118.402 118.700 -0.151 0.000 2.120 66 N HA -0.171 4.601 4.740 0.053 0.000 0.188 66 N C 2.061 177.507 175.510 -0.106 0.000 1.024 66 N CA 1.717 54.700 53.050 -0.110 0.000 0.852 66 N CB -0.454 37.982 38.487 -0.085 0.000 1.003 66 N HN 0.355 nan 8.380 nan 0.000 0.424 67 S N 0.308 115.934 115.700 -0.123 0.000 2.474 67 S HA 0.022 4.524 4.470 0.053 0.000 0.235 67 S C 1.768 176.301 174.600 -0.112 0.000 0.997 67 S CA 0.396 58.530 58.200 -0.109 0.000 0.949 67 S CB -0.459 62.671 63.200 -0.117 0.000 0.766 67 S HN 0.255 nan 8.310 nan 0.000 0.517 68 L N 0.841 121.980 121.223 -0.139 0.000 2.610 68 L HA 0.182 4.554 4.340 0.053 0.000 0.232 68 L C 2.588 179.405 176.870 -0.090 0.000 1.149 68 L CA 0.561 55.327 54.840 -0.123 0.000 0.872 68 L CB -0.398 41.567 42.059 -0.157 0.000 0.992 68 L HN 0.282 nan 8.230 nan 0.000 0.447 69 E N 1.079 121.231 120.200 -0.081 0.000 2.204 69 E HA -0.250 4.132 4.350 0.053 0.000 0.195 69 E C 1.686 178.260 176.600 -0.043 0.000 0.990 69 E CA 1.454 57.820 56.400 -0.057 0.000 0.821 69 E CB -0.050 29.620 29.700 -0.050 0.000 0.750 69 E HN 0.571 nan 8.360 nan 0.000 0.477 70 D N -0.541 119.832 120.400 -0.045 0.000 2.310 70 D HA -0.132 4.540 4.640 0.053 0.000 0.212 70 D C 1.614 177.894 176.300 -0.034 0.000 0.965 70 D CA 1.419 55.398 54.000 -0.035 0.000 0.879 70 D CB -0.235 40.544 40.800 -0.035 0.000 0.921 70 D HN 0.310 nan 8.370 nan 0.000 0.510 71 V N -3.442 116.450 119.914 -0.038 0.000 3.605 71 V HA 0.313 4.465 4.120 0.053 0.000 0.284 71 V C 0.874 176.953 176.094 -0.025 0.000 1.386 71 V CA -0.659 61.622 62.300 -0.032 0.000 1.053 71 V CB -0.388 31.415 31.823 -0.033 0.000 0.857 71 V HN -0.160 nan 8.190 nan 0.000 0.436 72 R N 2.197 122.681 120.500 -0.026 0.000 2.489 72 R HA 0.399 4.772 4.340 0.053 0.000 0.287 72 R C -0.194 176.099 176.300 -0.012 0.000 1.053 72 R CA 0.117 56.210 56.100 -0.013 0.000 1.036 72 R CB 0.697 30.989 30.300 -0.013 0.000 0.966 72 R HN 0.387 nan 8.270 nan 0.000 0.432 73 K N 1.262 121.659 120.400 -0.006 0.000 2.345 73 K HA 0.341 4.693 4.320 0.053 0.000 0.255 73 K C -0.072 176.534 176.600 0.010 0.000 0.934 73 K CA -0.466 55.807 56.287 -0.024 0.000 0.801 73 K CB 1.829 34.297 32.500 -0.054 0.000 1.137 73 K HN 0.720 nan 8.250 nan 0.000 0.424 74 G N 0.427 109.250 108.800 0.039 0.000 2.582 74 G HA2 0.246 4.238 3.960 0.053 0.000 0.232 74 G HA3 0.246 4.238 3.960 0.053 0.000 0.232 74 G C 0.358 175.348 174.900 0.150 0.000 1.458 74 G CA 0.292 45.465 45.100 0.122 0.000 1.062 74 G HN 0.712 nan 8.290 nan 0.000 0.566 75 S N -2.682 113.188 115.700 0.284 0.000 2.501 75 S HA 0.110 4.612 4.470 0.053 0.000 0.250 75 S C 0.192 174.965 174.600 0.289 0.000 0.959 75 S CA -0.108 58.262 58.200 0.284 0.000 1.250 75 S CB -0.042 63.240 63.200 0.138 0.000 0.933 75 S HN 0.500 nan 8.310 nan 0.000 0.420 76 E N 3.147 123.441 120.200 0.157 0.000 2.465 76 E HA 0.248 4.630 4.350 0.053 0.000 0.260 76 E C -0.257 176.274 176.600 -0.116 0.000 0.980 76 E CA 0.219 56.639 56.400 0.032 0.000 0.927 76 E CB 0.013 29.721 29.700 0.013 0.000 0.934 76 E HN 0.386 nan 8.360 nan 0.000 0.459 77 N N 0.911 119.555 118.700 -0.093 0.000 2.850 77 N HA -0.207 4.565 4.740 0.053 0.000 0.249 77 N C -1.189 174.189 175.510 -0.220 0.000 1.060 77 N CA 1.097 54.044 53.050 -0.171 0.000 0.825 77 N CB -1.295 37.040 38.487 -0.254 0.000 1.132 77 N HN 0.388 nan 8.380 nan 0.000 0.564 78 Y N 0.493 120.798 120.300 0.009 0.000 2.457 78 Y HA 0.645 5.227 4.550 0.054 0.000 0.333 78 Y C 0.837 176.740 175.900 0.005 0.000 1.119 78 Y CA -0.589 57.515 58.100 0.007 0.000 1.143 78 Y CB 1.110 39.575 38.460 0.008 0.000 1.230 78 Y HN 0.112 nan 8.280 nan 0.000 0.469 79 A N 2.381 125.318 122.820 0.195 0.000 2.388 79 A HA 0.414 4.766 4.320 0.053 0.000 0.257 79 A C -0.774 176.860 177.584 0.083 0.000 1.095 79 A CA -0.542 51.557 52.037 0.103 0.000 0.791 79 A CB 0.095 19.142 19.000 0.078 0.000 1.029 79 A HN 0.695 nan 8.150 nan 0.000 0.489 80 L N 3.144 124.397 121.223 0.050 0.000 2.462 80 L HA 0.406 4.778 4.340 0.053 0.000 0.272 80 L C 0.751 177.631 176.870 0.016 0.000 1.166 80 L CA 1.336 56.191 54.840 0.025 0.000 0.880 80 L CB 0.002 42.067 42.059 0.011 0.000 1.142 80 L HN 0.896 nan 8.230 nan 0.000 0.473 81 T N 0.471 115.029 114.554 0.007 0.000 2.887 81 T HA 0.667 5.049 4.350 0.053 0.000 0.292 81 T C 0.248 174.952 174.700 0.007 0.000 1.087 81 T CA -0.209 61.898 62.100 0.012 0.000 1.009 81 T CB 1.060 69.937 68.868 0.014 0.000 1.203 81 T HN 0.772 nan 8.240 nan 0.000 0.518 82 T N 0.497 115.070 114.554 0.032 0.000 2.701 82 T HA 0.156 4.538 4.350 0.053 0.000 0.303 82 T C 1.155 175.873 174.700 0.030 0.000 1.030 82 T CA -0.428 61.700 62.100 0.045 0.000 1.010 82 T CB -0.125 68.816 68.868 0.122 0.000 1.007 82 T HN 0.583 nan 8.240 nan 0.000 0.532 83 N N 0.593 119.313 118.700 0.034 0.000 2.443 83 N HA -0.086 4.686 4.740 0.053 0.000 0.184 83 N C 1.589 177.119 175.510 0.035 0.000 1.037 83 N CA 0.691 53.755 53.050 0.023 0.000 0.896 83 N CB -0.210 38.301 38.487 0.039 0.000 0.959 83 N HN 0.569 nan 8.380 nan 0.000 0.442 84 Q N -0.529 119.304 119.800 0.056 0.000 2.360 84 Q HA 0.182 4.554 4.340 0.053 0.000 0.202 84 Q C 0.825 176.849 176.000 0.040 0.000 0.915 84 Q CA 0.243 56.075 55.803 0.048 0.000 0.943 84 Q CB 0.418 29.191 28.738 0.059 0.000 1.064 84 Q HN 0.420 nan 8.270 nan 0.000 0.511 85 G N 0.424 109.246 108.800 0.037 0.000 2.141 85 G HA2 -0.232 3.760 3.960 0.053 0.000 0.242 85 G HA3 -0.232 3.760 3.960 0.053 0.000 0.242 85 G C 0.074 175.000 174.900 0.043 0.000 0.982 85 G CA 0.104 45.220 45.100 0.027 0.000 0.662 85 G HN 0.220 nan 8.290 nan 0.000 0.527 86 V N 1.838 121.794 119.914 0.069 0.000 2.432 86 V HA 0.364 4.516 4.120 0.053 0.000 0.271 86 V C 1.285 177.420 176.094 0.068 0.000 1.046 86 V CA -0.617 61.736 62.300 0.088 0.000 0.945 86 V CB 1.096 33.014 31.823 0.160 0.000 0.992 86 V HN 0.397 nan 8.190 nan 0.000 0.471 87 R N 4.500 125.033 120.500 0.054 0.000 2.570 87 R HA 0.315 4.687 4.340 0.053 0.000 0.277 87 R C -0.501 175.816 176.300 0.028 0.000 1.039 87 R CA -0.019 56.104 56.100 0.038 0.000 1.065 87 R CB 0.450 30.772 30.300 0.037 0.000 0.964 87 R HN 0.574 nan 8.270 nan 0.000 0.428 88 I N 2.199 122.774 120.570 0.007 0.000 2.365 88 I HA 0.098 4.300 4.170 0.053 0.000 0.291 88 I C 1.064 177.172 176.117 -0.014 0.000 1.004 88 I CA 0.056 61.344 61.300 -0.019 0.000 1.311 88 I CB 1.822 39.799 38.000 -0.038 0.000 1.401 88 I HN 0.767 nan 8.210 nan 0.000 0.491 89 A N 4.102 126.910 122.820 -0.020 0.000 1.911 89 A HA -0.004 4.348 4.320 0.053 0.000 0.212 89 A C 0.736 178.306 177.584 -0.023 0.000 1.189 89 A CA 0.958 52.986 52.037 -0.015 0.000 0.639 89 A CB 0.036 19.030 19.000 -0.010 0.000 0.839 89 A HN 0.686 nan 8.150 nan 0.000 0.449 90 D N -0.516 119.862 120.400 -0.036 0.000 2.420 90 D HA 0.324 4.996 4.640 0.053 0.000 0.255 90 D C -1.235 175.034 176.300 -0.051 0.000 1.185 90 D CA -0.374 53.603 54.000 -0.039 0.000 0.904 90 D CB 1.062 41.840 40.800 -0.037 0.000 1.102 90 D HN 0.067 nan 8.370 nan 0.000 0.534 91 D N 1.908 122.280 120.400 -0.046 0.000 2.370 91 D HA 0.039 4.711 4.640 0.053 0.000 0.230 91 D C 0.724 176.993 176.300 -0.052 0.000 1.143 91 D CA 0.325 54.294 54.000 -0.053 0.000 0.834 91 D CB 0.507 41.281 40.800 -0.043 0.000 0.944 91 D HN 0.252 nan 8.370 nan 0.000 0.504 92 Q N -0.674 119.097 119.800 -0.049 0.000 2.317 92 Q HA 0.256 4.628 4.340 0.053 0.000 0.220 92 Q C -0.105 175.866 176.000 -0.049 0.000 0.873 92 Q CA 0.222 55.997 55.803 -0.046 0.000 0.936 92 Q CB 0.794 29.509 28.738 -0.037 0.000 1.105 92 Q HN 0.197 nan 8.270 nan 0.000 0.520 93 N N 0.074 118.743 118.700 -0.052 0.000 2.277 93 N HA 0.301 5.073 4.740 0.053 0.000 0.286 93 N C -1.018 174.457 175.510 -0.057 0.000 1.140 93 N CA -0.246 52.775 53.050 -0.049 0.000 0.799 93 N CB 2.145 40.608 38.487 -0.040 0.000 1.596 93 N HN -0.175 nan 8.380 nan 0.000 0.473 94 S N 0.742 116.410 115.700 -0.052 0.000 2.603 94 S HA 0.288 4.790 4.470 0.053 0.000 0.268 94 S C 0.145 174.719 174.600 -0.043 0.000 1.317 94 S CA -0.562 57.607 58.200 -0.052 0.000 1.012 94 S CB 0.736 63.912 63.200 -0.041 0.000 0.926 94 S HN 0.396 nan 8.310 nan 0.000 0.539 95 L N 3.359 124.556 121.223 -0.043 0.000 2.319 95 L HA 0.454 4.826 4.340 0.053 0.000 0.280 95 L C 0.063 176.924 176.870 -0.015 0.000 1.099 95 L CA 0.347 55.170 54.840 -0.028 0.000 0.828 95 L CB 0.010 42.054 42.059 -0.024 0.000 1.150 95 L HN 0.751 nan 8.230 nan 0.000 0.442 96 R N 4.136 124.630 120.500 -0.010 0.000 2.799 96 R HA 0.864 5.236 4.340 0.053 0.000 0.270 96 R C -1.271 175.028 176.300 -0.002 0.000 1.010 96 R CA -0.836 55.260 56.100 -0.006 0.000 0.916 96 R CB 1.175 31.470 30.300 -0.009 0.000 1.228 96 R HN 0.598 nan 8.270 nan 0.000 0.469 97 A N 1.375 124.195 122.820 0.000 0.000 2.506 97 A HA 0.599 4.951 4.320 0.053 0.000 0.320 97 A C 0.641 178.225 177.584 -0.000 0.000 1.424 97 A CA 0.263 52.301 52.037 0.002 0.000 1.044 97 A CB -0.791 18.212 19.000 0.004 0.000 1.140 97 A HN 1.269 nan 8.150 nan 0.000 0.538 98 G N 1.333 110.133 108.800 -0.001 0.000 2.733 98 G HA2 -0.000 3.992 3.960 0.053 0.000 0.686 98 G HA3 -0.000 3.992 3.960 0.053 0.000 0.686 98 G C 0.721 175.618 174.900 -0.005 0.000 1.373 98 G CA 0.160 45.258 45.100 -0.003 0.000 0.838 98 G HN 1.906 nan 8.290 nan 0.000 0.588 99 S N -0.451 115.246 115.700 -0.006 0.000 2.555 99 S HA 0.041 4.543 4.470 0.053 0.000 0.230 99 S C 1.499 176.093 174.600 -0.009 0.000 0.978 99 S CA 1.313 59.508 58.200 -0.009 0.000 0.934 99 S CB 0.097 63.292 63.200 -0.009 0.000 0.766 99 S HN 0.745 nan 8.310 nan 0.000 0.533 100 R N 0.818 121.314 120.500 -0.008 0.000 2.613 100 R HA 0.345 4.717 4.340 0.053 0.000 0.361 100 R C 0.850 177.146 176.300 -0.006 0.000 1.072 100 R CA 0.004 56.100 56.100 -0.008 0.000 1.089 100 R CB 0.817 31.113 30.300 -0.007 0.000 1.343 100 R HN 0.435 nan 8.270 nan 0.000 0.571 101 G N 1.620 110.417 108.800 -0.006 0.000 2.557 101 G HA2 0.400 4.392 3.960 0.053 0.000 0.302 101 G HA3 0.400 4.392 3.960 0.053 0.000 0.302 101 G C -2.406 172.492 174.900 -0.004 0.000 1.311 101 G CA -1.112 43.986 45.100 -0.004 0.000 1.030 101 G HN -0.103 nan 8.290 nan 0.000 0.509 102 P HA 0.239 nan 4.420 nan 0.000 0.277 102 P C -0.232 177.067 177.300 -0.001 0.000 1.240 102 P CA -0.103 62.997 63.100 -0.001 0.000 0.798 102 P CB 0.873 32.574 31.700 0.002 0.000 0.979 103 T N 2.260 116.813 114.554 -0.002 0.000 2.907 103 T HA 0.292 4.674 4.350 0.053 0.000 0.298 103 T C 0.476 175.179 174.700 0.005 0.000 1.017 103 T CA -0.171 61.927 62.100 -0.003 0.000 1.118 103 T CB 0.024 68.888 68.868 -0.006 0.000 0.948 103 T HN 0.182 nan 8.240 nan 0.000 0.531 104 L N 3.295 124.522 121.223 0.008 0.000 2.357 104 L HA 0.329 4.701 4.340 0.053 0.000 0.273 104 L C 1.347 178.233 176.870 0.027 0.000 1.080 104 L CA -0.803 54.048 54.840 0.018 0.000 0.803 104 L CB 0.832 42.904 42.059 0.022 0.000 1.174 104 L HN 0.497 nan 8.230 nan 0.000 0.443 105 L N 1.909 123.152 121.223 0.034 0.000 2.275 105 L HA -0.159 4.213 4.340 0.053 0.000 0.215 105 L C 2.218 179.128 176.870 0.067 0.000 1.119 105 L CA 1.544 56.411 54.840 0.044 0.000 0.790 105 L CB -0.601 41.481 42.059 0.039 0.000 0.919 105 L HN 0.778 nan 8.230 nan 0.000 0.443 106 E N -1.677 118.566 120.200 0.072 0.000 2.511 106 E HA -0.144 4.238 4.350 0.053 0.000 0.196 106 E C 0.132 176.836 176.600 0.172 0.000 1.066 106 E CA 0.105 56.577 56.400 0.119 0.000 0.871 106 E CB -0.460 29.302 29.700 0.103 0.000 0.863 106 E HN 0.327 nan 8.360 nan 0.000 0.520 107 D N 1.290 121.745 120.400 0.091 0.000 2.498 107 D HA -0.039 4.633 4.640 0.053 0.000 0.229 107 D C 0.464 176.773 176.300 0.016 0.000 1.188 107 D CA -0.504 53.502 54.000 0.010 0.000 1.028 107 D CB -0.266 40.511 40.800 -0.039 0.000 1.087 107 D HN 0.321 nan 8.370 nan 0.000 0.510 108 F N 1.552 121.511 119.950 0.015 0.000 2.407 108 F HA 0.066 4.624 4.527 0.053 0.000 0.299 108 F C 1.601 177.414 175.800 0.021 0.000 1.097 108 F CA 0.187 58.199 58.000 0.020 0.000 1.422 108 F CB -0.579 38.432 39.000 0.019 0.000 1.067 108 F HN 0.163 nan 8.300 nan 0.000 0.539 109 I N 0.428 120.559 120.570 -0.732 0.000 2.233 109 I HA -0.204 3.998 4.170 0.053 0.000 0.243 109 I C 2.501 178.503 176.117 -0.191 0.000 1.093 109 I CA 1.109 62.115 61.300 -0.489 0.000 1.380 109 I CB -0.546 37.124 38.000 -0.551 0.000 1.067 109 I HN 0.290 nan 8.210 nan 0.000 0.413 110 L N 1.183 122.308 121.223 -0.163 0.000 1.989 110 L HA -0.207 4.165 4.340 0.053 0.000 0.211 110 L C 2.618 179.475 176.870 -0.020 0.000 1.071 110 L CA 1.906 56.698 54.840 -0.079 0.000 0.749 110 L CB -0.601 41.419 42.059 -0.066 0.000 0.890 110 L HN 0.055 nan 8.230 nan 0.000 0.431 111 R N -0.673 119.834 120.500 0.011 0.000 2.115 111 R HA -0.150 4.222 4.340 0.053 0.000 0.230 111 R C 2.299 178.652 176.300 0.088 0.000 1.111 111 R CA 1.356 57.491 56.100 0.059 0.000 0.976 111 R CB -0.306 30.044 30.300 0.085 0.000 0.870 111 R HN 0.595 nan 8.270 nan 0.000 0.445 112 E N 1.221 121.477 120.200 0.093 0.000 2.051 112 E HA -0.238 4.144 4.350 0.053 0.000 0.192 112 E C 1.921 178.596 176.600 0.126 0.000 0.991 112 E CA 1.245 57.719 56.400 0.124 0.000 0.799 112 E CB 0.113 29.889 29.700 0.127 0.000 0.748 112 E HN 0.131 nan 8.360 nan 0.000 0.449 113 K N 0.276 120.718 120.400 0.071 0.000 2.032 113 K HA -0.150 4.202 4.320 0.053 0.000 0.209 113 K C 2.077 178.748 176.600 0.119 0.000 1.048 113 K CA 1.423 57.750 56.287 0.067 0.000 0.927 113 K CB -0.019 32.479 32.500 -0.003 0.000 0.712 113 K HN 0.169 nan 8.250 nan 0.000 0.441 114 I N 1.053 121.677 120.570 0.089 0.000 2.500 114 I HA -0.150 4.052 4.170 0.053 0.000 0.252 114 I C 2.054 178.272 176.117 0.169 0.000 1.142 114 I CA 1.168 62.539 61.300 0.118 0.000 1.451 114 I CB -1.284 36.750 38.000 0.056 0.000 1.093 114 I HN 0.211 nan 8.210 nan 0.000 0.430 115 T N -0.255 114.391 114.554 0.153 0.000 2.746 115 T HA -0.211 4.171 4.350 0.053 0.000 0.267 115 T C 1.947 176.765 174.700 0.197 0.000 1.039 115 T CA 1.370 63.575 62.100 0.176 0.000 1.142 115 T CB -0.357 68.628 68.868 0.195 0.000 0.866 115 T HN 0.346 nan 8.240 nan 0.000 0.444 116 H N -0.134 119.023 119.070 0.145 0.000 2.333 116 H HA -0.018 4.571 4.556 0.054 0.000 0.302 116 H C 2.198 177.578 175.328 0.087 0.000 1.075 116 H CA 1.339 57.459 56.048 0.121 0.000 1.348 116 H CB -0.444 29.372 29.762 0.089 0.000 1.393 116 H HN 0.362 nan 8.280 nan 0.000 0.509 117 F N 2.272 122.286 119.950 0.107 0.000 2.087 117 F HA -0.251 4.310 4.527 0.056 0.000 0.299 117 F C 1.983 177.727 175.800 -0.094 0.000 1.100 117 F CA 2.046 60.052 58.000 0.011 0.000 1.226 117 F CB -0.387 38.611 39.000 -0.003 0.000 0.983 117 F HN 0.113 nan 8.300 nan 0.000 0.479 118 D N -1.339 118.963 120.400 -0.164 0.000 2.263 118 D HA -0.137 4.535 4.640 0.053 0.000 0.208 118 D C 1.262 177.157 176.300 -0.675 0.000 0.971 118 D CA 1.183 54.919 54.000 -0.441 0.000 0.867 118 D CB -0.376 40.151 40.800 -0.455 0.000 0.929 118 D HN 0.489 nan 8.370 nan 0.000 0.492 119 H N -0.297 118.656 119.070 -0.194 0.000 2.475 119 H HA 0.229 4.817 4.556 0.053 0.000 0.276 119 H C 1.043 176.218 175.328 -0.255 0.000 1.126 119 H CA -0.120 55.811 56.048 -0.196 0.000 1.023 119 H CB 0.444 30.109 29.762 -0.163 0.000 1.669 119 H HN 0.270 nan 8.280 nan 0.000 0.573 120 E N 0.617 120.662 120.200 -0.259 0.000 2.150 120 E HA -0.051 4.331 4.350 0.053 0.000 0.193 120 E C 0.521 176.972 176.600 -0.250 0.000 0.985 120 E CA 0.598 56.820 56.400 -0.296 0.000 0.814 120 E CB 0.461 29.959 29.700 -0.335 0.000 0.752 120 E HN 0.145 nan 8.360 nan 0.000 0.466 121 R N 1.026 121.440 120.500 -0.144 0.000 2.459 121 R HA 0.374 4.746 4.340 0.053 0.000 0.281 121 R C 0.378 176.717 176.300 0.065 0.000 1.050 121 R CA -0.305 55.779 56.100 -0.026 0.000 1.055 121 R CB 0.760 31.038 30.300 -0.038 0.000 1.045 121 R HN 0.148 nan 8.270 nan 0.000 0.495 122 I N -1.078 119.594 120.570 0.171 0.000 2.957 122 I HA 0.594 4.796 4.170 0.053 0.000 0.310 122 I C -2.218 173.964 176.117 0.108 0.000 1.063 122 I CA -2.904 58.486 61.300 0.151 0.000 1.033 122 I CB 1.797 39.922 38.000 0.209 0.000 1.230 122 I HN 0.246 nan 8.210 nan 0.000 0.447 123 P HA 0.083 nan 4.420 nan 0.000 0.265 123 P C -0.901 176.432 177.300 0.055 0.000 1.193 123 P CA -0.030 63.100 63.100 0.050 0.000 0.765 123 P CB 0.393 32.111 31.700 0.030 0.000 0.823 124 E N 2.651 122.886 120.200 0.057 0.000 2.371 124 E HA 0.216 4.598 4.350 0.053 0.000 0.257 124 E C -0.430 176.199 176.600 0.048 0.000 1.134 124 E CA -0.869 55.570 56.400 0.065 0.000 0.919 124 E CB 0.642 30.387 29.700 0.075 0.000 1.025 124 E HN 0.258 nan 8.360 nan 0.000 0.438 125 R N 0.661 121.195 120.500 0.057 0.000 2.640 125 R HA -0.010 4.362 4.340 0.053 0.000 0.270 125 R C 1.357 177.694 176.300 0.061 0.000 1.024 125 R CA -0.408 55.722 56.100 0.050 0.000 1.085 125 R CB 0.264 30.614 30.300 0.082 0.000 0.963 125 R HN 0.569 nan 8.270 nan 0.000 0.426 126 I N 1.794 122.394 120.570 0.050 0.000 2.163 126 I HA -0.147 4.055 4.170 0.053 0.000 0.243 126 I C 1.252 177.427 176.117 0.097 0.000 1.085 126 I CA 1.579 62.919 61.300 0.067 0.000 1.347 126 I CB -1.062 36.982 38.000 0.072 0.000 1.044 126 I HN 0.389 nan 8.210 nan 0.000 0.408 127 V N -3.001 117.006 119.914 0.156 0.000 3.001 127 V HA 0.511 4.663 4.120 0.053 0.000 0.314 127 V C 0.406 176.681 176.094 0.301 0.000 1.099 127 V CA -0.816 61.608 62.300 0.207 0.000 0.989 127 V CB 1.708 33.725 31.823 0.323 0.000 1.040 127 V HN 0.473 nan 8.190 nan 0.000 0.434 128 H N 0.441 119.580 119.070 0.115 0.000 2.862 128 H HA -0.214 4.371 4.556 0.048 0.000 0.290 128 H C 1.513 176.892 175.328 0.086 0.000 1.211 128 H CA 0.713 56.821 56.048 0.100 0.000 1.140 128 H CB -1.285 28.525 29.762 0.081 0.000 1.341 128 H HN 1.142 nan 8.280 nan 0.000 0.392 129 A N 0.780 123.696 122.820 0.159 0.000 2.019 129 A HA -0.094 4.258 4.320 0.053 0.000 0.219 129 A C 1.669 179.347 177.584 0.156 0.000 1.164 129 A CA 1.282 53.401 52.037 0.137 0.000 0.644 129 A CB -0.071 18.988 19.000 0.098 0.000 0.805 129 A HN 0.268 nan 8.150 nan 0.000 0.449 130 R N 0.107 120.700 120.500 0.155 0.000 2.207 130 R HA 0.525 4.897 4.340 0.053 0.000 0.334 130 R C -0.146 176.283 176.300 0.214 0.000 1.013 130 R CA 0.678 56.886 56.100 0.180 0.000 0.858 130 R CB 0.375 30.766 30.300 0.152 0.000 1.094 130 R HN 0.319 nan 8.270 nan 0.000 0.457 131 G N 0.847 109.799 108.800 0.254 0.000 2.646 131 G HA2 0.505 4.497 3.960 0.053 0.000 0.291 131 G HA3 0.505 4.497 3.960 0.053 0.000 0.291 131 G C -1.638 173.432 174.900 0.284 0.000 1.445 131 G CA -0.615 44.608 45.100 0.204 0.000 0.814 131 G HN 0.504 nan 8.290 nan 0.000 0.495 132 S N -1.081 114.733 115.700 0.191 0.000 2.536 132 S HA 0.897 5.399 4.470 0.053 0.000 0.287 132 S C -0.187 174.435 174.600 0.037 0.000 1.101 132 S CA -0.161 58.208 58.200 0.281 0.000 0.950 132 S CB 1.795 65.259 63.200 0.441 0.000 1.056 132 S HN 1.618 nan 8.310 nan 0.000 0.481 133 A N 1.398 124.204 122.820 -0.024 0.000 2.515 133 A HA 1.022 5.374 4.320 0.053 0.000 0.296 133 A C -0.982 176.406 177.584 -0.327 0.000 1.094 133 A CA -0.766 51.022 52.037 -0.414 0.000 0.718 133 A CB 1.629 20.205 19.000 -0.705 0.000 1.307 133 A HN 1.374 nan 8.150 nan 0.000 0.408 134 A N 0.745 123.217 122.820 -0.580 0.000 2.594 134 A HA 0.701 5.053 4.320 0.053 0.000 0.295 134 A C -1.048 176.353 177.584 -0.306 0.000 1.071 134 A CA -0.656 51.212 52.037 -0.283 0.000 0.685 134 A CB 0.750 19.667 19.000 -0.138 0.000 1.285 134 A HN 0.878 nan 8.150 nan 0.000 0.405 135 H N -0.061 119.047 119.070 0.064 0.000 2.551 135 H HA 0.650 5.239 4.556 0.055 0.000 0.358 135 H C 0.675 175.999 175.328 -0.006 0.000 1.151 135 H CA 1.080 57.209 56.048 0.134 0.000 1.374 135 H CB 1.771 31.602 29.762 0.116 0.000 1.473 135 H HN 1.117 nan 8.280 nan 0.000 0.574 136 G N 0.655 109.547 108.800 0.154 0.000 2.570 136 G HA2 0.387 4.379 3.960 0.053 0.000 0.310 136 G HA3 0.387 4.379 3.960 0.053 0.000 0.310 136 G C -2.006 173.023 174.900 0.215 0.000 1.266 136 G CA -0.677 44.469 45.100 0.078 0.000 0.825 136 G HN 0.628 nan 8.290 nan 0.000 0.483 137 Y N -1.910 118.423 120.300 0.055 0.000 2.625 137 Y HA 0.839 5.421 4.550 0.053 0.000 0.338 137 Y C -1.761 174.276 175.900 0.227 0.000 1.123 137 Y CA -1.941 56.239 58.100 0.133 0.000 1.046 137 Y CB 1.993 40.507 38.460 0.091 0.000 1.299 137 Y HN 0.765 nan 8.280 nan 0.000 0.464 138 F N 2.005 122.125 119.950 0.282 0.000 2.551 138 F HA 0.678 5.239 4.527 0.056 0.000 0.316 138 F C -1.226 174.801 175.800 0.377 0.000 1.089 138 F CA -0.562 57.614 58.000 0.293 0.000 0.915 138 F CB 2.334 41.635 39.000 0.502 0.000 1.186 138 F HN 0.777 nan 8.300 nan 0.000 0.456 139 Q N 7.015 126.289 119.800 -0.877 0.000 2.284 139 Q HA 0.477 4.849 4.340 0.053 0.000 0.269 139 Q C -2.888 172.542 176.000 -0.951 0.000 1.026 139 Q CA -2.356 53.101 55.803 -0.577 0.000 0.831 139 Q CB 2.967 31.667 28.738 -0.063 0.000 1.322 139 Q HN 0.332 nan 8.270 nan 0.000 0.419 140 P HA 0.044 nan 4.420 nan 0.000 0.274 140 P C -0.554 176.677 177.300 -0.116 0.000 1.237 140 P CA 0.178 63.072 63.100 -0.343 0.000 0.793 140 P CB 0.450 32.111 31.700 -0.065 0.000 0.977 141 Y N 0.148 120.400 120.300 -0.081 0.000 2.475 141 Y HA 0.014 4.597 4.550 0.055 0.000 0.289 141 Y C 1.373 177.253 175.900 -0.033 0.000 1.121 141 Y CA 0.110 58.181 58.100 -0.047 0.000 1.257 141 Y CB 0.385 38.824 38.460 -0.034 0.000 1.026 141 Y HN 0.355 nan 8.280 nan 0.000 0.555 142 K N -1.146 119.329 120.400 0.125 0.000 2.615 142 K HA 0.289 4.641 4.320 0.053 0.000 0.291 142 K C -1.130 175.484 176.600 0.024 0.000 1.017 142 K CA -0.903 55.422 56.287 0.063 0.000 0.882 142 K CB 1.278 33.813 32.500 0.058 0.000 1.522 142 K HN -0.241 nan 8.250 nan 0.000 0.412 143 S N 0.786 116.495 115.700 0.015 0.000 2.531 143 S HA 0.204 4.706 4.470 0.053 0.000 0.279 143 S C 0.444 175.039 174.600 -0.009 0.000 1.305 143 S CA -0.708 57.492 58.200 -0.001 0.000 1.058 143 S CB -0.175 63.026 63.200 0.001 0.000 0.899 143 S HN 0.529 nan 8.310 nan 0.000 0.493 144 L N 4.730 125.937 121.223 -0.027 0.000 2.791 144 L HA 0.162 4.535 4.340 0.053 0.000 0.239 144 L C 1.718 178.573 176.870 -0.025 0.000 1.203 144 L CA -0.202 54.626 54.840 -0.020 0.000 1.002 144 L CB -0.180 41.871 42.059 -0.012 0.000 1.295 144 L HN 0.622 nan 8.230 nan 0.000 0.504 145 S N -0.219 115.465 115.700 -0.026 0.000 2.442 145 S HA -0.154 4.348 4.470 0.053 0.000 0.236 145 S C 1.273 175.856 174.600 -0.028 0.000 1.007 145 S CA 1.031 59.212 58.200 -0.030 0.000 0.965 145 S CB -0.121 63.066 63.200 -0.022 0.000 0.773 145 S HN 0.476 nan 8.310 nan 0.000 0.504 146 D N 1.735 122.123 120.400 -0.019 0.000 2.219 146 D HA -0.037 4.635 4.640 0.053 0.000 0.205 146 D C 1.738 178.020 176.300 -0.030 0.000 0.970 146 D CA 0.932 54.920 54.000 -0.020 0.000 0.851 146 D CB -0.140 40.654 40.800 -0.010 0.000 0.943 146 D HN 0.660 nan 8.370 nan 0.000 0.488 147 I N -4.311 116.241 120.570 -0.029 0.000 4.139 147 I HA 0.223 4.425 4.170 0.053 0.000 0.320 147 I C 0.492 176.564 176.117 -0.074 0.000 1.290 147 I CA -0.019 61.255 61.300 -0.045 0.000 1.253 147 I CB 1.083 39.075 38.000 -0.012 0.000 1.122 147 I HN -0.249 nan 8.210 nan 0.000 0.421 148 T N 1.652 116.166 114.554 -0.067 0.000 2.956 148 T HA 0.313 4.695 4.350 0.053 0.000 0.312 148 T C -0.104 174.543 174.700 -0.089 0.000 1.151 148 T CA -0.740 61.301 62.100 -0.098 0.000 1.024 148 T CB 1.714 70.512 68.868 -0.117 0.000 1.140 148 T HN 0.420 nan 8.240 nan 0.000 0.473 149 K N 2.602 122.948 120.400 -0.091 0.000 2.476 149 K HA 0.558 4.910 4.320 0.053 0.000 0.196 149 K C 0.669 177.231 176.600 -0.063 0.000 1.025 149 K CA -0.378 55.868 56.287 -0.068 0.000 1.138 149 K CB 0.185 32.651 32.500 -0.058 0.000 0.860 149 K HN 0.482 nan 8.250 nan 0.000 0.515 150 A N 2.021 124.780 122.820 -0.101 0.000 2.522 150 A HA -0.035 4.317 4.320 0.053 0.000 0.256 150 A C 0.553 178.104 177.584 -0.055 0.000 1.086 150 A CA -0.025 51.965 52.037 -0.080 0.000 0.763 150 A CB 0.147 19.038 19.000 -0.182 0.000 1.024 150 A HN 0.488 nan 8.150 nan 0.000 0.502 151 D N 2.244 122.684 120.400 0.067 0.000 2.144 151 D HA -0.222 4.451 4.640 0.053 0.000 0.199 151 D C 1.363 177.741 176.300 0.129 0.000 0.984 151 D CA 2.109 56.161 54.000 0.086 0.000 0.834 151 D CB -0.248 40.625 40.800 0.122 0.000 0.955 151 D HN 0.727 nan 8.370 nan 0.000 0.465 152 F N -0.400 119.581 119.950 0.053 0.000 2.408 152 F HA 0.089 4.649 4.527 0.055 0.000 0.300 152 F C 1.078 176.979 175.800 0.167 0.000 1.090 152 F CA 0.530 58.604 58.000 0.124 0.000 1.427 152 F CB -0.287 38.795 39.000 0.136 0.000 1.070 152 F HN -0.055 nan 8.300 nan 0.000 0.549 153 L N 0.867 121.800 121.223 -0.483 0.000 2.818 153 L HA 0.200 4.572 4.340 0.053 0.000 0.243 153 L C 1.861 178.650 176.870 -0.136 0.000 1.185 153 L CA 0.329 54.952 54.840 -0.361 0.000 0.988 153 L CB -0.179 41.556 42.059 -0.540 0.000 1.292 153 L HN 0.318 nan 8.230 nan 0.000 0.519 154 S N -2.775 112.888 115.700 -0.062 0.000 2.503 154 S HA 0.070 4.572 4.470 0.053 0.000 0.217 154 S C 0.513 175.113 174.600 -0.001 0.000 0.999 154 S CA -0.172 58.012 58.200 -0.027 0.000 0.914 154 S CB 0.367 63.565 63.200 -0.004 0.000 0.782 154 S HN 0.345 nan 8.310 nan 0.000 0.520 155 D N 0.674 121.084 120.400 0.017 0.000 2.927 155 D HA 0.262 4.935 4.640 0.053 0.000 0.219 155 D C -2.546 173.775 176.300 0.034 0.000 1.248 155 D CA -1.637 52.379 54.000 0.027 0.000 0.861 155 D CB 2.417 43.238 40.800 0.035 0.000 1.677 155 D HN -0.160 nan 8.370 nan 0.000 0.511 156 P HA -0.117 nan 4.420 nan 0.000 0.223 156 P C 0.813 178.137 177.300 0.039 0.000 1.144 156 P CA 0.935 64.056 63.100 0.035 0.000 0.783 156 P CB -0.130 31.599 31.700 0.048 0.000 0.771 157 N N -0.609 118.117 118.700 0.042 0.000 2.515 157 N HA -0.068 4.704 4.740 0.053 0.000 0.185 157 N C 0.721 176.268 175.510 0.063 0.000 1.109 157 N CA -0.217 52.860 53.050 0.045 0.000 0.903 157 N CB -0.276 38.233 38.487 0.036 0.000 0.969 157 N HN -0.027 nan 8.380 nan 0.000 0.450 158 K N 1.622 122.071 120.400 0.083 0.000 2.315 158 K HA 0.242 4.594 4.320 0.053 0.000 0.291 158 K C -0.841 175.862 176.600 0.171 0.000 1.074 158 K CA -0.152 56.213 56.287 0.130 0.000 0.936 158 K CB 0.509 33.103 32.500 0.157 0.000 1.049 158 K HN 0.195 nan 8.250 nan 0.000 0.471 159 I N 3.717 124.385 120.570 0.164 0.000 2.315 159 I HA 0.144 4.346 4.170 0.053 0.000 0.291 159 I C -0.170 176.116 176.117 0.282 0.000 1.006 159 I CA -0.474 60.949 61.300 0.205 0.000 1.265 159 I CB 1.817 39.874 38.000 0.096 0.000 1.387 159 I HN 0.484 nan 8.210 nan 0.000 0.475 160 T N 7.517 122.327 114.554 0.428 0.000 2.772 160 T HA 0.342 4.724 4.350 0.053 0.000 0.288 160 T C -2.453 172.509 174.700 0.436 0.000 0.994 160 T CA -1.418 60.962 62.100 0.466 0.000 0.951 160 T CB 1.426 70.688 68.868 0.658 0.000 0.933 160 T HN 0.241 nan 8.240 nan 0.000 0.447 161 P HA 0.254 nan 4.420 nan 0.000 0.269 161 P C -0.669 176.864 177.300 0.389 0.000 1.209 161 P CA -0.413 62.874 63.100 0.311 0.000 0.776 161 P CB 0.540 32.345 31.700 0.175 0.000 0.876 162 V N -0.247 119.839 119.914 0.286 0.000 3.040 162 V HA 0.731 4.883 4.120 0.053 0.000 0.312 162 V C -1.302 174.944 176.094 0.253 0.000 1.115 162 V CA -0.941 61.429 62.300 0.117 0.000 0.998 162 V CB 2.253 33.919 31.823 -0.261 0.000 1.042 162 V HN 0.322 nan 8.190 nan 0.000 0.433 163 F N 2.178 122.111 119.950 -0.029 0.000 2.536 163 F HA 0.838 5.394 4.527 0.050 0.000 0.322 163 F C -0.875 174.822 175.800 -0.172 0.000 1.144 163 F CA -0.862 57.060 58.000 -0.130 0.000 0.924 163 F CB 1.900 40.859 39.000 -0.070 0.000 1.181 163 F HN 0.513 nan 8.300 nan 0.000 0.438 164 V N 6.709 126.157 119.914 -0.777 0.000 2.555 164 V HA 0.581 4.733 4.120 0.053 0.000 0.302 164 V C -0.647 174.747 176.094 -1.167 0.000 1.038 164 V CA -0.830 60.917 62.300 -0.922 0.000 0.887 164 V CB 1.930 33.146 31.823 -1.011 0.000 0.991 164 V HN 0.733 nan 8.190 nan 0.000 0.434 165 R N 3.759 123.561 120.500 -1.163 0.000 2.476 165 R HA 0.593 4.965 4.340 0.053 0.000 0.305 165 R C -1.667 174.026 176.300 -1.013 0.000 0.965 165 R CA -0.433 55.108 56.100 -0.932 0.000 0.867 165 R CB 1.117 31.049 30.300 -0.612 0.000 1.176 165 R HN 0.541 nan 8.270 nan 0.000 0.447 166 F N 2.030 121.554 119.950 -0.710 0.000 2.397 166 F HA 0.513 5.072 4.527 0.055 0.000 0.331 166 F C 0.515 175.960 175.800 -0.593 0.000 1.090 166 F CA -0.238 57.232 58.000 -0.883 0.000 1.065 166 F CB 2.105 40.065 39.000 -1.734 0.000 1.184 166 F HN 0.590 nan 8.300 nan 0.000 0.499 167 S N -0.909 114.722 115.700 -0.114 0.000 2.596 167 S HA 0.641 5.143 4.470 0.053 0.000 0.270 167 S C -0.519 174.221 174.600 0.234 0.000 1.155 167 S CA -0.852 57.422 58.200 0.123 0.000 0.827 167 S CB 1.348 64.667 63.200 0.198 0.000 1.130 167 S HN 0.730 nan 8.310 nan 0.000 0.467 168 T N -1.133 113.556 114.554 0.225 0.000 2.865 168 T HA 0.647 5.029 4.350 0.053 0.000 0.302 168 T C 0.863 175.526 174.700 -0.062 0.000 1.078 168 T CA 0.001 62.189 62.100 0.145 0.000 0.942 168 T CB 0.129 69.090 68.868 0.155 0.000 1.387 168 T HN 0.661 nan 8.240 nan 0.000 0.557 169 V N -0.234 119.603 119.914 -0.129 0.000 3.029 169 V HA 0.134 4.286 4.120 0.053 0.000 0.230 169 V C 2.723 178.751 176.094 -0.110 0.000 1.254 169 V CA 0.271 62.370 62.300 -0.336 0.000 1.276 169 V CB -0.314 31.394 31.823 -0.192 0.000 1.080 169 V HN 0.852 nan 8.190 nan 0.000 0.495 170 Q N 1.118 120.891 119.800 -0.045 0.000 2.062 170 Q HA 0.067 4.440 4.340 0.053 0.000 0.196 170 Q C 1.234 177.219 176.000 -0.026 0.000 0.967 170 Q CA 1.430 57.206 55.803 -0.045 0.000 0.832 170 Q CB -0.132 28.566 28.738 -0.067 0.000 0.899 170 Q HN 0.588 nan 8.270 nan 0.000 0.442 171 G N -0.255 108.543 108.800 -0.003 0.000 2.537 171 G HA2 0.432 4.425 3.960 0.053 0.000 0.273 171 G HA3 0.432 4.425 3.960 0.053 0.000 0.273 171 G C 0.105 175.016 174.900 0.019 0.000 1.189 171 G CA 0.018 45.119 45.100 0.000 0.000 0.881 171 G HN 0.330 nan 8.290 nan 0.000 0.535 172 G N -1.074 107.732 108.800 0.010 0.000 2.683 172 G HA2 0.453 4.445 3.960 0.053 0.000 0.260 172 G HA3 0.453 4.445 3.960 0.053 0.000 0.260 172 G C 1.354 176.287 174.900 0.055 0.000 1.238 172 G CA 0.457 45.573 45.100 0.027 0.000 0.934 172 G HN 1.078 nan 8.290 nan 0.000 0.534 173 A N -0.852 122.010 122.820 0.070 0.000 2.067 173 A HA 0.157 4.509 4.320 0.053 0.000 0.219 173 A C 2.216 179.840 177.584 0.068 0.000 1.158 173 A CA 1.906 54.004 52.037 0.101 0.000 0.661 173 A CB -0.327 18.750 19.000 0.129 0.000 0.801 173 A HN 1.112 nan 8.150 nan 0.000 0.452 174 G N -0.130 108.691 108.800 0.035 0.000 3.284 174 G HA2 0.331 4.323 3.960 0.053 0.000 0.236 174 G HA3 0.331 4.323 3.960 0.053 0.000 0.236 174 G C 0.701 175.603 174.900 0.003 0.000 1.158 174 G CA 0.649 45.754 45.100 0.008 0.000 0.774 174 G HN 0.646 nan 8.290 nan 0.000 0.545 175 S N -0.218 115.493 115.700 0.018 0.000 2.661 175 S HA 0.751 5.253 4.470 0.053 0.000 0.265 175 S C 0.441 175.056 174.600 0.025 0.000 1.225 175 S CA -0.064 58.143 58.200 0.012 0.000 0.986 175 S CB 1.599 64.808 63.200 0.016 0.000 1.008 175 S HN 0.548 nan 8.310 nan 0.000 0.565 176 A N 0.014 122.845 122.820 0.018 0.000 2.286 176 A HA 0.489 4.841 4.320 0.053 0.000 0.286 176 A C 0.504 178.112 177.584 0.041 0.000 1.097 176 A CA -0.614 51.430 52.037 0.012 0.000 0.821 176 A CB 0.073 19.062 19.000 -0.019 0.000 1.076 176 A HN 0.861 nan 8.150 nan 0.000 0.490 177 D N 0.222 120.635 120.400 0.022 0.000 2.149 177 D HA -0.043 4.629 4.640 0.053 0.000 0.206 177 D C 1.602 177.899 176.300 -0.005 0.000 0.967 177 D CA 2.190 56.222 54.000 0.054 0.000 0.848 177 D CB -0.183 40.603 40.800 -0.024 0.000 0.998 177 D HN 0.666 nan 8.370 nan 0.000 0.474 178 T N 0.045 114.512 114.554 -0.144 0.000 3.406 178 T HA 0.266 4.648 4.350 0.053 0.000 0.244 178 T C 0.864 175.556 174.700 -0.015 0.000 0.949 178 T CA -0.552 61.464 62.100 -0.141 0.000 0.926 178 T CB -1.022 67.681 68.868 -0.275 0.000 1.089 178 T HN -0.083 nan 8.240 nan 0.000 0.604 179 V N -1.214 118.742 119.914 0.070 0.000 3.376 179 V HA 0.409 4.561 4.120 0.053 0.000 0.303 179 V C 0.725 176.972 176.094 0.255 0.000 1.100 179 V CA -1.373 61.018 62.300 0.151 0.000 1.126 179 V CB 0.366 32.268 31.823 0.131 0.000 1.085 179 V HN 0.571 nan 8.190 nan 0.000 0.480 180 R N 1.697 122.413 120.500 0.360 0.000 2.216 180 R HA 0.455 4.827 4.340 0.053 0.000 0.332 180 R C -1.020 175.368 176.300 0.147 0.000 1.056 180 R CA -0.092 56.164 56.100 0.261 0.000 0.901 180 R CB 0.134 30.516 30.300 0.136 0.000 1.039 180 R HN 1.052 nan 8.270 nan 0.000 0.456 181 D N 3.385 123.880 120.400 0.159 0.000 2.671 181 D HA 0.199 4.871 4.640 0.053 0.000 0.273 181 D C -0.583 175.829 176.300 0.186 0.000 1.264 181 D CA -0.622 53.461 54.000 0.139 0.000 0.788 181 D CB 1.288 42.162 40.800 0.124 0.000 1.324 181 D HN 0.228 nan 8.370 nan 0.000 0.424 182 I N 1.449 122.145 120.570 0.209 0.000 2.779 182 I HA 0.214 4.416 4.170 0.053 0.000 0.285 182 I C 0.896 177.146 176.117 0.222 0.000 1.134 182 I CA -0.006 61.428 61.300 0.223 0.000 1.398 182 I CB 0.016 38.179 38.000 0.271 0.000 1.404 182 I HN 0.240 nan 8.210 nan 0.000 0.587 183 R N 2.816 123.471 120.500 0.258 0.000 2.664 183 R HA 0.601 4.973 4.340 0.053 0.000 0.286 183 R C -0.057 176.435 176.300 0.320 0.000 0.967 183 R CA -0.774 55.496 56.100 0.284 0.000 0.933 183 R CB 1.506 31.998 30.300 0.319 0.000 1.146 183 R HN 0.802 nan 8.270 nan 0.000 0.468 184 G N 0.657 109.666 108.800 0.348 0.000 2.425 184 G HA2 0.522 4.514 3.960 0.053 0.000 0.302 184 G HA3 0.522 4.514 3.960 0.053 0.000 0.302 184 G C -1.353 173.641 174.900 0.157 0.000 1.159 184 G CA -0.073 45.210 45.100 0.305 0.000 0.865 184 G HN 0.343 nan 8.290 nan 0.000 0.515 185 F N 1.607 121.458 119.950 -0.165 0.000 3.034 185 F HA 0.630 5.188 4.527 0.051 0.000 0.371 185 F C -0.295 175.203 175.800 -0.502 0.000 1.233 185 F CA -1.829 55.961 58.000 -0.351 0.000 1.134 185 F CB 0.985 39.901 39.000 -0.140 0.000 1.495 185 F HN 0.673 nan 8.300 nan 0.000 0.563 186 A N 3.489 126.027 122.820 -0.469 0.000 2.288 186 A HA 0.782 5.134 4.320 0.053 0.000 0.320 186 A C -0.552 176.568 177.584 -0.773 0.000 1.217 186 A CA -0.405 51.182 52.037 -0.750 0.000 0.840 186 A CB 0.763 18.932 19.000 -1.386 0.000 1.179 186 A HN 0.557 nan 8.150 nan 0.000 0.504 187 T N 2.360 116.633 114.554 -0.469 0.000 2.809 187 T HA 0.386 4.768 4.350 0.053 0.000 0.284 187 T C -0.345 174.158 174.700 -0.328 0.000 0.992 187 T CA -0.496 61.329 62.100 -0.458 0.000 0.957 187 T CB 1.068 69.598 68.868 -0.563 0.000 0.942 187 T HN 0.638 nan 8.240 nan 0.000 0.439 188 K N 3.808 124.093 120.400 -0.190 0.000 2.292 188 K HA 0.405 4.757 4.320 0.053 0.000 0.270 188 K C -1.199 175.066 176.600 -0.559 0.000 1.062 188 K CA -0.574 55.512 56.287 -0.336 0.000 0.916 188 K CB 0.223 32.471 32.500 -0.420 0.000 1.166 188 K HN 0.385 nan 8.250 nan 0.000 0.458 189 F N 4.123 123.789 119.950 -0.473 0.000 2.421 189 F HA 0.197 4.754 4.527 0.051 0.000 0.358 189 F C -0.255 175.357 175.800 -0.314 0.000 1.115 189 F CA -0.461 57.328 58.000 -0.353 0.000 1.160 189 F CB 0.547 39.235 39.000 -0.521 0.000 1.123 189 F HN 0.440 nan 8.300 nan 0.000 0.508 190 Y N 1.952 122.311 120.300 0.099 0.000 2.632 190 Y HA 0.201 4.784 4.550 0.056 0.000 0.336 190 Y C 1.062 177.023 175.900 0.101 0.000 1.237 190 Y CA -0.864 57.278 58.100 0.070 0.000 1.595 190 Y CB -0.312 38.178 38.460 0.050 0.000 1.508 190 Y HN 0.553 nan 8.280 nan 0.000 0.480 191 T N -2.598 112.063 114.554 0.178 0.000 2.816 191 T HA 0.160 4.542 4.350 0.053 0.000 0.282 191 T C 0.975 175.776 174.700 0.168 0.000 0.993 191 T CA -0.688 61.519 62.100 0.179 0.000 0.994 191 T CB 1.063 70.010 68.868 0.132 0.000 1.025 191 T HN 0.632 nan 8.240 nan 0.000 0.529 192 E N -0.117 120.185 120.200 0.172 0.000 2.482 192 E HA -0.018 4.364 4.350 0.053 0.000 0.196 192 E C 1.041 177.711 176.600 0.116 0.000 1.047 192 E CA 0.571 57.052 56.400 0.134 0.000 0.869 192 E CB 0.132 29.907 29.700 0.125 0.000 0.836 192 E HN 0.717 nan 8.360 nan 0.000 0.520 193 E N 0.103 120.376 120.200 0.121 0.000 2.624 193 E HA 0.253 4.635 4.350 0.053 0.000 0.210 193 E C 0.106 176.757 176.600 0.086 0.000 0.997 193 E CA -0.236 56.227 56.400 0.104 0.000 0.999 193 E CB 1.375 31.140 29.700 0.108 0.000 1.040 193 E HN 0.171 nan 8.360 nan 0.000 0.469 194 G N 1.250 110.096 108.800 0.077 0.000 2.362 194 G HA2 -0.096 3.896 3.960 0.053 0.000 0.656 194 G HA3 -0.096 3.896 3.960 0.053 0.000 0.656 194 G C -0.846 174.069 174.900 0.025 0.000 1.376 194 G CA -1.117 44.005 45.100 0.037 0.000 0.971 194 G HN 0.026 nan 8.290 nan 0.000 0.636 195 I N 0.866 121.415 120.570 -0.036 0.000 2.598 195 I HA 0.291 4.493 4.170 0.053 0.000 0.284 195 I C 0.094 176.227 176.117 0.027 0.000 1.140 195 I CA 0.169 61.420 61.300 -0.081 0.000 1.420 195 I CB 0.617 38.496 38.000 -0.202 0.000 1.387 195 I HN 0.444 nan 8.210 nan 0.000 0.553 196 F N 7.053 126.909 119.950 -0.158 0.000 2.426 196 F HA 0.442 5.000 4.527 0.051 0.000 0.348 196 F C -0.522 175.250 175.800 -0.046 0.000 1.124 196 F CA -1.287 56.621 58.000 -0.153 0.000 1.008 196 F CB 0.726 39.490 39.000 -0.393 0.000 1.139 196 F HN 0.348 nan 8.300 nan 0.000 0.452 197 D N 6.551 126.812 120.400 -0.232 0.000 2.233 197 D HA 0.271 4.943 4.640 0.053 0.000 0.240 197 D C -1.027 174.829 176.300 -0.740 0.000 1.074 197 D CA -0.142 53.629 54.000 -0.382 0.000 0.838 197 D CB 2.239 43.003 40.800 -0.061 0.000 1.124 197 D HN 0.477 nan 8.370 nan 0.000 0.475 198 L N 3.729 124.460 121.223 -0.820 0.000 2.283 198 L HA 0.290 4.662 4.340 0.053 0.000 0.281 198 L C -1.108 175.533 176.870 -0.383 0.000 1.033 198 L CA -0.682 53.740 54.840 -0.696 0.000 0.848 198 L CB 1.165 42.795 42.059 -0.716 0.000 1.226 198 L HN 0.090 nan 8.230 nan 0.000 0.429 199 V N 6.022 125.751 119.914 -0.308 0.000 2.259 199 V HA 0.708 4.860 4.120 0.053 0.000 0.267 199 V C 0.818 176.808 176.094 -0.173 0.000 1.051 199 V CA -0.068 62.065 62.300 -0.277 0.000 0.830 199 V CB 0.266 31.889 31.823 -0.333 0.000 1.080 199 V HN 0.850 nan 8.190 nan 0.000 0.467 200 G N 3.138 111.851 108.800 -0.145 0.000 2.820 200 G HA2 0.657 4.649 3.960 0.053 0.000 0.291 200 G HA3 0.657 4.649 3.960 0.053 0.000 0.291 200 G C -0.832 174.089 174.900 0.035 0.000 1.323 200 G CA -0.589 44.480 45.100 -0.053 0.000 1.055 200 G HN 0.477 nan 8.290 nan 0.000 0.520 201 N N -1.059 117.705 118.700 0.108 0.000 2.966 201 N HA 0.247 5.019 4.740 0.053 0.000 0.314 201 N C 0.437 176.125 175.510 0.297 0.000 1.397 201 N CA -0.751 52.425 53.050 0.210 0.000 0.776 201 N CB 1.303 39.898 38.487 0.180 0.000 1.576 201 N HN 0.523 nan 8.380 nan 0.000 0.592 202 N N -1.355 117.539 118.700 0.322 0.000 2.322 202 N HA -0.004 4.768 4.740 0.053 0.000 0.194 202 N C -0.459 175.315 175.510 0.441 0.000 1.126 202 N CA -0.070 53.226 53.050 0.411 0.000 0.845 202 N CB -0.164 38.545 38.487 0.370 0.000 0.976 202 N HN 0.544 nan 8.380 nan 0.000 0.475 203 T N -3.592 111.041 114.554 0.131 0.000 2.916 203 T HA 0.470 4.852 4.350 0.053 0.000 0.292 203 T C -2.629 171.448 174.700 -1.038 0.000 1.055 203 T CA -1.631 60.098 62.100 -0.619 0.000 1.009 203 T CB 2.978 71.383 68.868 -0.772 0.000 1.118 203 T HN -0.222 nan 8.240 nan 0.000 0.497 204 P HA 0.227 nan 4.420 nan 0.000 0.255 204 P C 0.321 177.110 177.300 -0.853 0.000 1.248 204 P CA -0.020 62.199 63.100 -1.468 0.000 0.807 204 P CB -0.061 30.716 31.700 -1.538 0.000 1.150 205 I N -4.349 115.699 120.570 -0.870 0.000 3.343 205 I HA 0.563 4.765 4.170 0.053 0.000 0.315 205 I C -1.429 174.430 176.117 -0.429 0.000 1.153 205 I CA -1.893 59.049 61.300 -0.597 0.000 0.952 205 I CB 1.486 39.091 38.000 -0.658 0.000 1.287 205 I HN -0.242 nan 8.210 nan 0.000 0.472 206 F N 0.200 119.870 119.950 -0.467 0.000 2.639 206 F HA 0.510 5.074 4.527 0.062 0.000 0.339 206 F C 0.401 175.956 175.800 -0.408 0.000 1.071 206 F CA -0.762 56.991 58.000 -0.412 0.000 0.994 206 F CB 1.924 40.810 39.000 -0.190 0.000 1.341 206 F HN 0.392 nan 8.300 nan 0.000 0.498 207 F N 2.217 121.330 119.950 -1.396 0.000 2.234 207 F HA -0.018 4.539 4.527 0.049 0.000 0.299 207 F C 0.777 176.272 175.800 -0.508 0.000 1.087 207 F CA 0.977 58.373 58.000 -1.007 0.000 1.340 207 F CB -0.179 37.822 39.000 -1.664 0.000 1.031 207 F HN 0.152 nan 8.300 nan 0.000 0.500 208 I N -3.280 117.258 120.570 -0.054 0.000 3.002 208 I HA 0.354 4.556 4.170 0.053 0.000 0.310 208 I C 0.381 176.649 176.117 0.252 0.000 1.087 208 I CA -0.850 60.547 61.300 0.162 0.000 1.017 208 I CB 1.879 40.044 38.000 0.275 0.000 1.226 208 I HN -0.154 nan 8.210 nan 0.000 0.443 209 Q N 0.283 120.228 119.800 0.242 0.000 2.259 209 Q HA 0.140 4.512 4.340 0.053 0.000 0.201 209 Q C -0.324 175.853 176.000 0.295 0.000 0.938 209 Q CA 0.622 56.605 55.803 0.300 0.000 0.872 209 Q CB 0.472 29.453 28.738 0.405 0.000 0.971 209 Q HN 0.639 nan 8.270 nan 0.000 0.494 210 D N -1.033 119.515 120.400 0.247 0.000 2.505 210 D HA 0.308 4.981 4.640 0.053 0.000 0.249 210 D C 0.052 176.481 176.300 0.216 0.000 1.082 210 D CA -0.217 53.899 54.000 0.192 0.000 0.839 210 D CB 1.831 42.718 40.800 0.145 0.000 1.317 210 D HN 0.046 nan 8.370 nan 0.000 0.497 211 A N 3.438 126.355 122.820 0.161 0.000 2.032 211 A HA -0.256 4.096 4.320 0.053 0.000 0.221 211 A C 1.803 179.509 177.584 0.204 0.000 1.165 211 A CA 1.810 53.938 52.037 0.150 0.000 0.645 211 A CB -0.800 18.233 19.000 0.055 0.000 0.807 211 A HN 0.821 nan 8.150 nan 0.000 0.453 212 H N -0.023 119.109 119.070 0.103 0.000 2.457 212 H HA -0.022 4.570 4.556 0.060 0.000 0.297 212 H C 1.545 176.954 175.328 0.135 0.000 1.092 212 H CA 1.906 58.008 56.048 0.089 0.000 1.309 212 H CB 0.032 29.823 29.762 0.049 0.000 1.382 212 H HN 0.433 nan 8.280 nan 0.000 0.535 213 K N -0.627 119.906 120.400 0.222 0.000 2.404 213 K HA -0.030 4.322 4.320 0.053 0.000 0.194 213 K C 1.329 178.071 176.600 0.237 0.000 1.023 213 K CA -0.026 56.387 56.287 0.210 0.000 1.094 213 K CB 0.072 32.748 32.500 0.294 0.000 0.841 213 K HN 0.281 nan 8.250 nan 0.000 0.523 214 F N 2.873 122.882 119.950 0.097 0.000 2.126 214 F HA -0.154 4.389 4.527 0.027 0.000 0.299 214 F C -1.028 174.792 175.800 0.033 0.000 1.096 214 F CA 1.388 59.470 58.000 0.137 0.000 1.255 214 F CB -0.369 38.697 39.000 0.110 0.000 0.997 214 F HN 0.022 nan 8.300 nan 0.000 0.479 215 P HA -0.110 nan 4.420 nan 0.000 0.221 215 P C 0.921 177.904 177.300 -0.528 0.000 1.150 215 P CA 1.515 64.380 63.100 -0.391 0.000 0.800 215 P CB -0.021 31.463 31.700 -0.359 0.000 0.787 216 D N -1.355 118.888 120.400 -0.262 0.000 2.103 216 D HA -0.125 4.547 4.640 0.053 0.000 0.199 216 D C 1.748 177.770 176.300 -0.464 0.000 0.978 216 D CA 0.979 54.861 54.000 -0.196 0.000 0.829 216 D CB -0.761 40.104 40.800 0.108 0.000 0.981 216 D HN 0.156 nan 8.370 nan 0.000 0.464 217 F N 1.808 121.367 119.950 -0.652 0.000 2.102 217 F HA -0.214 4.339 4.527 0.043 0.000 0.298 217 F C 2.215 177.638 175.800 -0.628 0.000 1.105 217 F CA 1.132 58.547 58.000 -0.975 0.000 1.239 217 F CB -0.147 38.516 39.000 -0.562 0.000 0.991 217 F HN -0.255 nan 8.300 nan 0.000 0.474 218 V N 0.176 119.673 119.914 -0.696 0.000 2.358 218 V HA -0.309 3.843 4.120 0.053 0.000 0.246 218 V C 2.264 178.146 176.094 -0.353 0.000 1.047 218 V CA 2.352 64.290 62.300 -0.602 0.000 1.035 218 V CB -0.988 30.497 31.823 -0.563 0.000 0.658 218 V HN 0.459 nan 8.190 nan 0.000 0.452 219 H N -0.257 118.590 119.070 -0.372 0.000 2.387 219 H HA -0.145 4.444 4.556 0.055 0.000 0.299 219 H C 2.308 177.486 175.328 -0.251 0.000 1.099 219 H CA 1.070 56.974 56.048 -0.239 0.000 1.315 219 H CB 0.068 29.738 29.762 -0.153 0.000 1.380 219 H HN 0.489 nan 8.280 nan 0.000 0.513 220 A N 0.390 123.036 122.820 -0.289 0.000 1.930 220 A HA -0.100 4.252 4.320 0.053 0.000 0.217 220 A C 2.500 179.929 177.584 -0.258 0.000 1.175 220 A CA 1.242 53.099 52.037 -0.300 0.000 0.627 220 A CB -0.659 18.021 19.000 -0.533 0.000 0.815 220 A HN 0.297 nan 8.150 nan 0.000 0.443 221 V N -0.156 119.477 119.914 -0.468 0.000 2.591 221 V HA -0.015 4.137 4.120 0.053 0.000 0.249 221 V C 0.980 177.044 176.094 -0.050 0.000 1.053 221 V CA 0.939 63.046 62.300 -0.322 0.000 1.068 221 V CB -0.447 30.991 31.823 -0.641 0.000 0.689 221 V HN 0.348 nan 8.190 nan 0.000 0.462 222 K N 0.797 121.135 120.400 -0.104 0.000 2.149 222 K HA 0.242 4.594 4.320 0.053 0.000 0.245 222 K C -2.302 174.246 176.600 -0.087 0.000 1.024 222 K CA -1.638 54.597 56.287 -0.086 0.000 0.899 222 K CB -0.159 32.284 32.500 -0.095 0.000 1.038 222 K HN 0.156 nan 8.250 nan 0.000 0.496 223 P HA -0.004 nan 4.420 nan 0.000 0.266 223 P C -0.618 176.621 177.300 -0.101 0.000 1.195 223 P CA 0.343 63.308 63.100 -0.224 0.000 0.768 223 P CB 0.395 31.969 31.700 -0.209 0.000 0.838 224 E N 5.040 125.229 120.200 -0.020 0.000 2.398 224 E HA 0.003 4.385 4.350 0.053 0.000 0.263 224 E C -1.266 175.409 176.600 0.126 0.000 1.046 224 E CA -1.306 55.185 56.400 0.152 0.000 0.908 224 E CB 0.132 30.052 29.700 0.367 0.000 0.963 224 E HN 0.422 nan 8.360 nan 0.000 0.431 225 P HA -0.194 nan 4.420 nan 0.000 0.225 225 P C 0.980 178.352 177.300 0.121 0.000 1.156 225 P CA 1.320 64.461 63.100 0.068 0.000 0.787 225 P CB 0.039 31.758 31.700 0.031 0.000 0.802 226 H N -0.647 118.469 119.070 0.078 0.000 2.326 226 H HA -0.090 4.497 4.556 0.053 0.000 0.301 226 H C 1.468 176.905 175.328 0.182 0.000 1.081 226 H CA 1.517 57.601 56.048 0.061 0.000 1.334 226 H CB -1.379 28.351 29.762 -0.054 0.000 1.385 226 H HN 0.312 nan 8.280 nan 0.000 0.504 227 W N 0.014 120.957 121.300 -0.596 0.000 2.870 227 W HA 0.695 5.386 4.660 0.051 0.000 0.358 227 W C 0.419 176.773 176.519 -0.275 0.000 1.043 227 W CA -1.098 56.016 57.345 -0.385 0.000 1.692 227 W CB -0.733 28.465 29.460 -0.438 0.000 1.100 227 W HN 0.445 nan 8.180 nan 0.000 0.557 228 A N 1.432 124.211 122.820 -0.068 0.000 2.610 228 A HA -0.148 4.205 4.320 0.053 0.000 0.299 228 A C -0.428 176.910 177.584 -0.410 0.000 1.487 228 A CA 1.451 53.374 52.037 -0.190 0.000 0.743 228 A CB -2.369 16.553 19.000 -0.131 0.000 1.070 228 A HN 0.470 nan 8.150 nan 0.000 0.439 229 I N 0.626 120.807 120.570 -0.648 0.000 2.686 229 I HA 0.539 4.741 4.170 0.053 0.000 0.295 229 I C -2.489 173.327 176.117 -0.501 0.000 1.114 229 I CA -2.360 58.467 61.300 -0.789 0.000 1.038 229 I CB 3.003 40.021 38.000 -1.636 0.000 1.238 229 I HN 0.211 nan 8.210 nan 0.000 0.420 230 P HA 0.316 nan 4.420 nan 0.000 0.292 230 P C -1.554 175.587 177.300 -0.265 0.000 1.300 230 P CA -0.865 62.025 63.100 -0.350 0.000 0.900 230 P CB 1.590 33.155 31.700 -0.225 0.000 1.139 231 Q N 0.808 120.497 119.800 -0.185 0.000 2.288 231 Q HA 0.481 4.854 4.340 0.053 0.000 0.258 231 Q C 1.100 177.062 176.000 -0.063 0.000 0.957 231 Q CA 1.054 56.784 55.803 -0.122 0.000 0.919 231 Q CB -0.355 28.320 28.738 -0.104 0.000 1.185 231 Q HN 0.821 nan 8.270 nan 0.000 0.408 232 G N 3.315 112.088 108.800 -0.045 0.000 2.198 232 G HA2 -0.285 3.707 3.960 0.053 0.000 0.260 232 G HA3 -0.285 3.707 3.960 0.053 0.000 0.260 232 G C -0.394 174.523 174.900 0.028 0.000 1.025 232 G CA 0.464 45.565 45.100 0.001 0.000 0.769 232 G HN 0.544 nan 8.290 nan 0.000 0.507 233 Q N -0.897 118.905 119.800 0.004 0.000 2.289 233 Q HA 0.535 4.907 4.340 0.053 0.000 0.270 233 Q C 0.749 176.767 176.000 0.029 0.000 1.038 233 Q CA -0.102 55.735 55.803 0.057 0.000 0.812 233 Q CB 1.787 30.598 28.738 0.123 0.000 1.300 233 Q HN 0.452 nan 8.270 nan 0.000 0.427 234 S N -0.412 115.205 115.700 -0.138 0.000 2.593 234 S HA 0.182 4.684 4.470 0.053 0.000 0.217 234 S C 0.871 175.414 174.600 -0.096 0.000 0.966 234 S CA -0.023 57.871 58.200 -0.510 0.000 0.914 234 S CB 0.267 62.620 63.200 -1.412 0.000 0.776 234 S HN 0.584 nan 8.310 nan 0.000 0.523 235 A N 2.265 125.234 122.820 0.249 0.000 3.063 235 A HA 0.538 4.890 4.320 0.053 0.000 0.263 235 A C 0.100 177.935 177.584 0.417 0.000 1.736 235 A CA -0.620 51.641 52.037 0.374 0.000 1.408 235 A CB -1.163 18.013 19.000 0.293 0.000 1.108 235 A HN 0.897 nan 8.150 nan 0.000 0.621 236 H N -3.740 115.532 119.070 0.335 0.000 3.003 236 H HA 0.481 5.068 4.556 0.051 0.000 0.327 236 H C -0.311 175.216 175.328 0.331 0.000 1.353 236 H CA -0.725 55.484 56.048 0.269 0.000 1.142 236 H CB 0.241 30.119 29.762 0.192 0.000 1.864 236 H HN 0.052 nan 8.280 nan 0.000 0.529 237 D N 0.245 120.815 120.400 0.283 0.000 2.104 237 D HA -0.187 4.485 4.640 0.053 0.000 0.194 237 D C 2.104 178.465 176.300 0.101 0.000 0.994 237 D CA 3.046 57.149 54.000 0.170 0.000 0.830 237 D CB -0.274 40.604 40.800 0.131 0.000 0.959 237 D HN 0.779 nan 8.370 nan 0.000 0.452 238 T N -1.693 112.921 114.554 0.099 0.000 2.867 238 T HA -0.178 4.204 4.350 0.053 0.000 0.268 238 T C 1.903 176.542 174.700 -0.101 0.000 1.057 238 T CA 0.582 62.705 62.100 0.038 0.000 1.136 238 T CB -0.672 68.265 68.868 0.115 0.000 0.874 238 T HN 0.153 nan 8.240 nan 0.000 0.466 239 F N 0.900 120.546 119.950 -0.505 0.000 2.075 239 F HA 0.065 4.621 4.527 0.049 0.000 0.297 239 F C 1.862 177.383 175.800 -0.465 0.000 1.113 239 F CA 0.797 58.409 58.000 -0.647 0.000 1.218 239 F CB -0.639 37.775 39.000 -0.977 0.000 0.984 239 F HN 0.145 nan 8.300 nan 0.000 0.472 240 W N 0.646 121.871 121.300 -0.125 0.000 2.425 240 W HA -0.102 4.594 4.660 0.060 0.000 0.277 240 W C 2.291 178.732 176.519 -0.130 0.000 1.231 240 W CA 1.020 58.287 57.345 -0.130 0.000 1.248 240 W CB -0.590 28.876 29.460 0.010 0.000 1.117 240 W HN 0.103 nan 8.180 nan 0.000 0.568 241 D N -0.628 119.813 120.400 0.068 0.000 2.084 241 D HA -0.290 4.382 4.640 0.053 0.000 0.194 241 D C 1.889 178.197 176.300 0.014 0.000 0.990 241 D CA 1.491 55.517 54.000 0.043 0.000 0.826 241 D CB -0.583 40.249 40.800 0.053 0.000 0.971 241 D HN 0.196 nan 8.370 nan 0.000 0.453 242 Y N 0.368 120.561 120.300 -0.179 0.000 2.145 242 Y HA -0.196 4.387 4.550 0.056 0.000 0.286 242 Y C 2.288 178.055 175.900 -0.221 0.000 1.145 242 Y CA 1.525 59.509 58.100 -0.194 0.000 1.148 242 Y CB -0.395 37.907 38.460 -0.264 0.000 0.981 242 Y HN -0.111 nan 8.280 nan 0.000 0.507 243 V N 0.136 119.950 119.914 -0.168 0.000 2.287 243 V HA -0.362 3.790 4.120 0.053 0.000 0.248 243 V C 2.615 178.664 176.094 -0.076 0.000 1.053 243 V CA 2.325 64.510 62.300 -0.192 0.000 1.027 243 V CB -1.219 30.375 31.823 -0.382 0.000 0.646 243 V HN 0.677 nan 8.190 nan 0.000 0.447 244 S N -0.269 115.432 115.700 0.001 0.000 2.419 244 S HA -0.085 4.417 4.470 0.053 0.000 0.233 244 S C 1.720 176.295 174.600 -0.042 0.000 1.016 244 S CA 1.433 59.651 58.200 0.031 0.000 0.974 244 S CB -0.497 62.746 63.200 0.072 0.000 0.786 244 S HN 0.560 nan 8.310 nan 0.000 0.492 245 L N 0.003 121.154 121.223 -0.119 0.000 2.567 245 L HA 0.304 4.676 4.340 0.053 0.000 0.225 245 L C 0.587 177.293 176.870 -0.273 0.000 1.119 245 L CA 0.186 54.924 54.840 -0.170 0.000 0.871 245 L CB -0.010 41.945 42.059 -0.173 0.000 1.036 245 L HN 0.265 nan 8.230 nan 0.000 0.459 246 Q N 0.156 119.756 119.800 -0.334 0.000 3.090 246 Q HA 0.224 4.596 4.340 0.053 0.000 0.241 246 Q C -1.931 173.858 176.000 -0.352 0.000 0.958 246 Q CA -1.422 54.138 55.803 -0.405 0.000 0.715 246 Q CB 1.552 29.934 28.738 -0.592 0.000 1.298 246 Q HN -0.018 nan 8.270 nan 0.000 0.468 247 P HA -0.237 nan 4.420 nan 0.000 0.221 247 P C 1.017 178.003 177.300 -0.524 0.000 1.145 247 P CA 1.211 64.068 63.100 -0.406 0.000 0.795 247 P CB 0.248 31.696 31.700 -0.421 0.000 0.775 248 E N 0.687 120.414 120.200 -0.790 0.000 2.219 248 E HA -0.206 4.176 4.350 0.053 0.000 0.198 248 E C 1.520 178.059 176.600 -0.102 0.000 0.998 248 E CA 1.941 58.126 56.400 -0.358 0.000 0.818 248 E CB -1.428 28.144 29.700 -0.214 0.000 0.741 248 E HN 0.299 nan 8.360 nan 0.000 0.477 249 T N -0.594 113.910 114.554 -0.084 0.000 3.051 249 T HA -0.031 4.351 4.350 0.053 0.000 0.269 249 T C 1.894 176.662 174.700 0.112 0.000 1.127 249 T CA 0.625 62.748 62.100 0.039 0.000 1.107 249 T CB -0.303 68.611 68.868 0.076 0.000 0.898 249 T HN 0.173 nan 8.240 nan 0.000 0.517 250 L N -0.293 120.996 121.223 0.111 0.000 2.217 250 L HA 0.016 4.388 4.340 0.053 0.000 0.211 250 L C 2.822 179.861 176.870 0.281 0.000 1.107 250 L CA 1.386 56.364 54.840 0.229 0.000 0.783 250 L CB -0.666 41.536 42.059 0.239 0.000 0.919 250 L HN 0.473 nan 8.230 nan 0.000 0.442 251 H N 0.149 119.266 119.070 0.079 0.000 2.270 251 H HA -0.207 4.381 4.556 0.054 0.000 0.299 251 H C 2.131 177.457 175.328 -0.003 0.000 1.077 251 H CA 1.810 57.899 56.048 0.069 0.000 1.294 251 H CB 0.236 30.003 29.762 0.008 0.000 1.371 251 H HN 0.346 nan 8.280 nan 0.000 0.491 252 N N -0.083 118.439 118.700 -0.297 0.000 2.223 252 N HA -0.139 4.633 4.740 0.053 0.000 0.185 252 N C 1.973 177.318 175.510 -0.275 0.000 1.016 252 N CA 0.866 53.525 53.050 -0.652 0.000 0.863 252 N CB 0.228 37.852 38.487 -1.437 0.000 0.983 252 N HN 0.130 nan 8.380 nan 0.000 0.429 253 V N 1.783 121.759 119.914 0.103 0.000 2.287 253 V HA -0.270 3.882 4.120 0.053 0.000 0.248 253 V C 2.518 178.749 176.094 0.229 0.000 1.053 253 V CA 1.291 63.797 62.300 0.344 0.000 1.027 253 V CB -0.384 31.696 31.823 0.429 0.000 0.646 253 V HN 0.386 nan 8.190 nan 0.000 0.447 254 M N -1.461 118.310 119.600 0.284 0.000 2.073 254 M HA -0.246 4.266 4.480 0.053 0.000 0.258 254 M C 2.080 178.356 176.300 -0.040 0.000 1.070 254 M CA 2.081 57.529 55.300 0.248 0.000 1.103 254 M CB -1.361 31.414 32.600 0.293 0.000 1.321 254 M HN 0.470 nan 8.290 nan 0.000 0.405 255 W N 0.551 121.560 121.300 -0.486 0.000 2.317 255 W HA -0.156 4.539 4.660 0.058 0.000 0.318 255 W C 2.890 179.336 176.519 -0.121 0.000 1.227 255 W CA 2.075 59.141 57.345 -0.464 0.000 1.269 255 W CB -1.321 27.805 29.460 -0.556 0.000 1.155 255 W HN 0.331 nan 8.180 nan 0.000 0.484 256 A N -0.617 122.280 122.820 0.129 0.000 1.940 256 A HA -0.215 4.137 4.320 0.053 0.000 0.219 256 A C 1.956 179.585 177.584 0.075 0.000 1.176 256 A CA 2.035 54.154 52.037 0.136 0.000 0.631 256 A CB -0.650 18.471 19.000 0.200 0.000 0.814 256 A HN 0.150 nan 8.150 nan 0.000 0.446 257 M N 0.557 120.157 119.600 -0.000 0.000 2.419 257 M HA 0.018 4.530 4.480 0.053 0.000 0.264 257 M C 1.475 177.801 176.300 0.043 0.000 1.082 257 M CA 0.830 56.063 55.300 -0.113 0.000 1.119 257 M CB -1.387 30.867 32.600 -0.577 0.000 1.398 257 M HN 0.555 nan 8.290 nan 0.000 0.453 258 S N 0.240 116.027 115.700 0.145 0.000 2.634 258 S HA 0.086 4.588 4.470 0.053 0.000 0.261 258 S C 0.724 175.445 174.600 0.202 0.000 1.271 258 S CA -0.430 57.898 58.200 0.213 0.000 0.985 258 S CB 0.994 64.364 63.200 0.283 0.000 0.968 258 S HN 0.171 nan 8.310 nan 0.000 0.568 259 D N 0.292 120.834 120.400 0.235 0.000 2.378 259 D HA 0.008 4.680 4.640 0.053 0.000 0.222 259 D C 1.920 178.360 176.300 0.234 0.000 0.980 259 D CA 0.362 54.523 54.000 0.268 0.000 0.907 259 D CB -0.156 40.870 40.800 0.376 0.000 0.899 259 D HN 0.389 nan 8.370 nan 0.000 0.527 260 R N 0.210 120.837 120.500 0.212 0.000 2.139 260 R HA -0.099 4.273 4.340 0.053 0.000 0.243 260 R C 2.123 178.574 176.300 0.251 0.000 1.145 260 R CA 1.182 57.432 56.100 0.250 0.000 0.976 260 R CB -0.989 29.517 30.300 0.343 0.000 0.866 260 R HN 0.209 nan 8.270 nan 0.000 0.449 261 G N 1.343 110.279 108.800 0.226 0.000 2.625 261 G HA2 -0.059 3.933 3.960 0.053 0.000 0.214 261 G HA3 -0.059 3.933 3.960 0.053 0.000 0.214 261 G C 1.041 176.082 174.900 0.235 0.000 1.132 261 G CA 0.306 45.533 45.100 0.212 0.000 0.782 261 G HN 0.451 nan 8.290 nan 0.000 0.538 262 I N -2.316 118.403 120.570 0.248 0.000 2.917 262 I HA 0.342 4.544 4.170 0.053 0.000 0.292 262 I C -2.831 173.438 176.117 0.254 0.000 1.510 262 I CA -2.538 58.917 61.300 0.259 0.000 0.858 262 I CB 1.710 39.870 38.000 0.267 0.000 1.862 262 I HN -0.265 nan 8.210 nan 0.000 0.615 263 P HA 0.019 nan 4.420 nan 0.000 0.268 263 P C 0.558 177.998 177.300 0.234 0.000 1.208 263 P CA -0.087 63.118 63.100 0.175 0.000 0.777 263 P CB 1.147 32.882 31.700 0.057 0.000 0.875 264 R N 1.712 122.337 120.500 0.209 0.000 2.115 264 R HA 0.013 4.385 4.340 0.053 0.000 0.230 264 R C 0.350 176.807 176.300 0.262 0.000 1.111 264 R CA 1.340 57.612 56.100 0.288 0.000 0.976 264 R CB -0.426 30.012 30.300 0.231 0.000 0.870 264 R HN 0.555 nan 8.270 nan 0.000 0.445 265 S N -2.427 113.215 115.700 -0.096 0.000 2.556 265 S HA 0.186 4.688 4.470 0.053 0.000 0.280 265 S C -0.326 173.974 174.600 -0.500 0.000 1.141 265 S CA -0.853 57.142 58.200 -0.341 0.000 0.883 265 S CB 0.035 63.162 63.200 -0.122 0.000 1.103 265 S HN 0.109 nan 8.310 nan 0.000 0.453 266 Y N 2.784 122.708 120.300 -0.628 0.000 2.298 266 Y HA -0.038 4.545 4.550 0.055 0.000 0.287 266 Y C 2.347 177.893 175.900 -0.589 0.000 1.164 266 Y CA 1.391 58.999 58.100 -0.819 0.000 1.229 266 Y CB -0.350 37.227 38.460 -1.471 0.000 0.977 266 Y HN 0.595 nan 8.280 nan 0.000 0.538 267 R N -0.588 119.771 120.500 -0.234 0.000 2.235 267 R HA -0.033 4.339 4.340 0.053 0.000 0.213 267 R C 1.104 177.356 176.300 -0.080 0.000 1.059 267 R CA 1.462 57.474 56.100 -0.146 0.000 0.997 267 R CB -0.335 29.880 30.300 -0.142 0.000 0.884 267 R HN 0.355 nan 8.270 nan 0.000 0.462 268 T N -2.074 112.453 114.554 -0.045 0.000 3.355 268 T HA 0.336 4.718 4.350 0.053 0.000 0.276 268 T C 0.180 174.921 174.700 0.068 0.000 1.003 268 T CA -0.679 61.426 62.100 0.007 0.000 0.943 268 T CB -0.053 68.807 68.868 -0.014 0.000 1.158 268 T HN 0.062 nan 8.240 nan 0.000 0.513 269 M N -1.098 118.585 119.600 0.139 0.000 2.644 269 M HA 0.741 5.253 4.480 0.053 0.000 0.304 269 M C -1.081 175.406 176.300 0.311 0.000 1.215 269 M CA -0.901 54.524 55.300 0.208 0.000 0.871 269 M CB 2.098 34.818 32.600 0.200 0.000 1.740 269 M HN -0.158 nan 8.290 nan 0.000 0.464 270 E N 0.349 120.726 120.200 0.295 0.000 2.345 270 E HA 0.650 5.032 4.350 0.053 0.000 0.259 270 E C -0.293 176.386 176.600 0.132 0.000 1.117 270 E CA -0.491 56.018 56.400 0.181 0.000 0.913 270 E CB 1.610 31.342 29.700 0.053 0.000 1.057 270 E HN 0.853 nan 8.360 nan 0.000 0.432 271 G N 0.653 109.354 108.800 -0.165 0.000 2.519 271 G HA2 0.643 4.635 3.960 0.053 0.000 0.307 271 G HA3 0.643 4.635 3.960 0.053 0.000 0.307 271 G C -1.497 172.989 174.900 -0.690 0.000 1.266 271 G CA -0.502 44.471 45.100 -0.211 0.000 0.970 271 G HN 0.299 nan 8.290 nan 0.000 0.481 272 F N -0.610 119.271 119.950 -0.114 0.000 2.608 272 F HA 0.493 5.050 4.527 0.051 0.000 0.309 272 F C 1.027 176.721 175.800 -0.176 0.000 1.103 272 F CA -0.605 57.246 58.000 -0.248 0.000 0.954 272 F CB 2.583 41.390 39.000 -0.321 0.000 1.267 272 F HN 0.614 nan 8.300 nan 0.000 0.444 273 G N -0.363 108.480 108.800 0.072 0.000 2.920 273 G HA2 0.154 4.146 3.960 0.053 0.000 0.208 273 G HA3 0.154 4.146 3.960 0.053 0.000 0.208 273 G C 0.769 175.750 174.900 0.135 0.000 1.159 273 G CA 0.632 45.836 45.100 0.174 0.000 0.784 273 G HN 1.034 nan 8.290 nan 0.000 0.535 274 C N -1.420 117.847 119.300 -0.056 0.000 5.883 274 C HA -0.170 4.322 4.460 0.053 0.000 0.327 274 C C 0.772 175.473 174.990 -0.482 0.000 2.424 274 C CA 0.778 59.591 59.018 -0.342 0.000 2.187 274 C CB -2.025 25.416 27.740 -0.498 0.000 3.226 274 C HN 0.608 nan 8.230 nan 0.000 0.268 275 H N 0.090 119.207 119.070 0.079 0.000 2.670 275 H HA 0.485 5.073 4.556 0.052 0.000 0.361 275 H C -0.151 175.163 175.328 -0.023 0.000 1.169 275 H CA 0.051 56.060 56.048 -0.066 0.000 1.198 275 H CB 0.934 30.499 29.762 -0.329 0.000 1.700 275 H HN 0.286 nan 8.280 nan 0.000 0.542 276 T N 2.959 117.516 114.554 0.005 0.000 2.834 276 T HA 0.208 4.590 4.350 0.053 0.000 0.298 276 T C 0.141 174.803 174.700 -0.063 0.000 0.966 276 T CA 0.253 62.338 62.100 -0.024 0.000 1.141 276 T CB -0.314 68.478 68.868 -0.128 0.000 0.905 276 T HN 0.207 nan 8.240 nan 0.000 0.535 277 F N 1.269 121.198 119.950 -0.035 0.000 2.629 277 F HA 0.662 5.218 4.527 0.049 0.000 0.386 277 F C 1.007 176.775 175.800 -0.053 0.000 1.135 277 F CA -1.344 56.659 58.000 0.006 0.000 1.116 277 F CB 1.411 40.422 39.000 0.019 0.000 1.426 277 F HN 0.196 nan 8.300 nan 0.000 0.501 278 R N 0.577 121.143 120.500 0.109 0.000 2.686 278 R HA 0.601 4.973 4.340 0.053 0.000 0.286 278 R C -1.581 174.604 176.300 -0.192 0.000 0.969 278 R CA -0.862 55.165 56.100 -0.121 0.000 0.898 278 R CB 1.942 32.102 30.300 -0.233 0.000 1.183 278 R HN 0.420 nan 8.270 nan 0.000 0.456 279 L N 3.676 124.735 121.223 -0.273 0.000 2.334 279 L HA 0.494 4.866 4.340 0.053 0.000 0.277 279 L C -0.289 176.418 176.870 -0.271 0.000 1.075 279 L CA -0.748 53.935 54.840 -0.261 0.000 0.804 279 L CB 0.922 42.827 42.059 -0.256 0.000 1.174 279 L HN 0.358 nan 8.230 nan 0.000 0.438 280 I N 2.417 122.850 120.570 -0.228 0.000 2.498 280 I HA 0.322 4.524 4.170 0.053 0.000 0.290 280 I C -0.340 175.685 176.117 -0.154 0.000 1.032 280 I CA -0.699 60.470 61.300 -0.218 0.000 1.073 280 I CB 1.572 39.449 38.000 -0.205 0.000 1.251 280 I HN 0.628 nan 8.210 nan 0.000 0.426 281 N N 4.353 122.977 118.700 -0.127 0.000 2.530 281 N HA 0.467 5.240 4.740 0.053 0.000 0.283 281 N C 0.689 176.155 175.510 -0.073 0.000 1.238 281 N CA -0.481 52.514 53.050 -0.091 0.000 0.971 281 N CB 0.640 39.081 38.487 -0.076 0.000 1.195 281 N HN 0.519 nan 8.380 nan 0.000 0.583 282 A N -0.448 122.339 122.820 -0.056 0.000 2.019 282 A HA -0.111 4.241 4.320 0.053 0.000 0.219 282 A C 1.509 179.071 177.584 -0.038 0.000 1.164 282 A CA 1.346 53.356 52.037 -0.044 0.000 0.644 282 A CB -0.813 18.168 19.000 -0.032 0.000 0.805 282 A HN 0.776 nan 8.150 nan 0.000 0.449 283 E N -1.423 118.756 120.200 -0.035 0.000 2.482 283 E HA 0.271 4.653 4.350 0.053 0.000 0.196 283 E C 1.203 177.791 176.600 -0.020 0.000 1.047 283 E CA 0.737 57.122 56.400 -0.026 0.000 0.869 283 E CB -0.100 29.586 29.700 -0.023 0.000 0.836 283 E HN 0.740 nan 8.360 nan 0.000 0.520 284 G N 1.364 110.147 108.800 -0.028 0.000 2.141 284 G HA2 -0.361 3.631 3.960 0.053 0.000 0.242 284 G HA3 -0.361 3.631 3.960 0.053 0.000 0.242 284 G C 0.228 175.141 174.900 0.022 0.000 0.982 284 G CA 0.281 45.382 45.100 0.002 0.000 0.662 284 G HN 0.274 nan 8.290 nan 0.000 0.527 285 K N 0.700 121.076 120.400 -0.040 0.000 2.298 285 K HA 0.646 4.998 4.320 0.053 0.000 0.280 285 K C 0.567 177.030 176.600 -0.227 0.000 1.032 285 K CA 0.224 56.462 56.287 -0.083 0.000 0.958 285 K CB 0.539 32.992 32.500 -0.079 0.000 0.978 285 K HN 0.641 nan 8.250 nan 0.000 0.472 286 A N 3.308 125.890 122.820 -0.398 0.000 2.305 286 A HA 0.449 4.801 4.320 0.053 0.000 0.322 286 A C -0.866 176.394 177.584 -0.540 0.000 1.187 286 A CA -0.568 51.061 52.037 -0.679 0.000 0.825 286 A CB 1.238 19.374 19.000 -1.440 0.000 1.164 286 A HN 0.726 nan 8.150 nan 0.000 0.498 287 T N 2.313 116.582 114.554 -0.475 0.000 2.848 287 T HA 0.535 4.917 4.350 0.053 0.000 0.285 287 T C -0.703 173.770 174.700 -0.379 0.000 0.995 287 T CA -0.116 61.756 62.100 -0.380 0.000 0.970 287 T CB 0.468 69.210 68.868 -0.210 0.000 0.976 287 T HN 0.336 nan 8.240 nan 0.000 0.441 288 F N 2.123 121.975 119.950 -0.163 0.000 2.429 288 F HA 0.535 5.093 4.527 0.052 0.000 0.348 288 F C 0.559 176.238 175.800 -0.200 0.000 1.109 288 F CA -0.510 57.392 58.000 -0.164 0.000 1.232 288 F CB 0.709 39.638 39.000 -0.119 0.000 1.157 288 F HN 0.200 nan 8.300 nan 0.000 0.564 289 V N 4.775 124.646 119.914 -0.071 0.000 2.841 289 V HA 0.625 4.777 4.120 0.053 0.000 0.310 289 V C -0.992 174.873 176.094 -0.381 0.000 1.090 289 V CA -0.763 61.338 62.300 -0.331 0.000 0.930 289 V CB 2.175 33.559 31.823 -0.732 0.000 1.014 289 V HN 0.772 nan 8.190 nan 0.000 0.425 290 R N 4.430 124.746 120.500 -0.306 0.000 2.599 290 R HA 0.561 4.933 4.340 0.053 0.000 0.295 290 R C -1.698 174.505 176.300 -0.162 0.000 0.963 290 R CA -0.471 55.495 56.100 -0.224 0.000 0.883 290 R CB 2.176 32.469 30.300 -0.011 0.000 1.171 290 R HN 0.592 nan 8.270 nan 0.000 0.450 291 F N 1.922 121.900 119.950 0.047 0.000 2.399 291 F HA 0.399 4.956 4.527 0.051 0.000 0.334 291 F C 0.912 176.632 175.800 -0.132 0.000 1.097 291 F CA -0.090 57.905 58.000 -0.007 0.000 1.076 291 F CB 1.002 39.882 39.000 -0.199 0.000 1.162 291 F HN 0.205 nan 8.300 nan 0.000 0.495 292 H N 0.722 119.781 119.070 -0.018 0.000 2.851 292 H HA 0.240 4.830 4.556 0.055 0.000 0.372 292 H C -1.590 173.503 175.328 -0.390 0.000 1.158 292 H CA -1.024 54.905 56.048 -0.199 0.000 1.159 292 H CB 1.992 31.723 29.762 -0.053 0.000 1.757 292 H HN 0.663 nan 8.280 nan 0.000 0.546 293 W N 2.197 123.391 121.300 -0.177 0.000 2.532 293 W HA 0.328 5.018 4.660 0.050 0.000 0.321 293 W C -0.084 176.463 176.519 0.046 0.000 1.037 293 W CA -0.774 56.515 57.345 -0.094 0.000 1.220 293 W CB 1.809 31.025 29.460 -0.408 0.000 1.361 293 W HN 0.262 nan 8.180 nan 0.000 0.468 294 K N 5.769 126.438 120.400 0.447 0.000 2.293 294 K HA 0.375 4.727 4.320 0.053 0.000 0.267 294 K C -2.436 174.394 176.600 0.383 0.000 1.010 294 K CA -1.889 54.597 56.287 0.332 0.000 0.875 294 K CB 1.370 34.011 32.500 0.236 0.000 1.106 294 K HN 0.044 nan 8.250 nan 0.000 0.450 295 P HA 0.051 nan 4.420 nan 0.000 0.276 295 P C 0.338 177.651 177.300 0.021 0.000 1.253 295 P CA -0.099 63.080 63.100 0.132 0.000 0.766 295 P CB 0.833 32.615 31.700 0.137 0.000 0.845 296 L N 2.594 123.774 121.223 -0.071 0.000 2.465 296 L HA -0.044 4.328 4.340 0.053 0.000 0.224 296 L C 2.143 178.994 176.870 -0.031 0.000 1.145 296 L CA 0.958 55.790 54.840 -0.013 0.000 0.834 296 L CB -0.540 41.522 42.059 0.004 0.000 0.944 296 L HN 0.346 nan 8.230 nan 0.000 0.451 297 A N 0.067 122.840 122.820 -0.079 0.000 2.238 297 A HA 0.418 4.770 4.320 0.053 0.000 0.208 297 A C 1.245 178.827 177.584 -0.004 0.000 1.177 297 A CA 0.643 52.653 52.037 -0.045 0.000 0.804 297 A CB -0.418 18.538 19.000 -0.073 0.000 0.823 297 A HN 0.443 nan 8.150 nan 0.000 0.482 298 G N -0.635 108.176 108.800 0.018 0.000 2.756 298 G HA2 -0.138 3.854 3.960 0.053 0.000 0.678 298 G HA3 -0.138 3.854 3.960 0.053 0.000 0.678 298 G C -0.614 174.315 174.900 0.048 0.000 1.349 298 G CA -0.444 44.686 45.100 0.050 0.000 0.847 298 G HN 0.453 nan 8.290 nan 0.000 0.548 299 K N 0.195 120.630 120.400 0.057 0.000 2.201 299 K HA 0.691 5.043 4.320 0.053 0.000 0.278 299 K C 0.269 176.861 176.600 -0.013 0.000 1.027 299 K CA 0.316 56.619 56.287 0.027 0.000 0.909 299 K CB 1.602 34.104 32.500 0.005 0.000 1.062 299 K HN 1.426 nan 8.250 nan 0.000 0.465 300 A N 1.840 124.641 122.820 -0.032 0.000 2.540 300 A HA 0.582 4.934 4.320 0.053 0.000 0.297 300 A C -1.132 176.495 177.584 0.072 0.000 1.056 300 A CA -0.672 51.303 52.037 -0.104 0.000 0.700 300 A CB 1.701 20.453 19.000 -0.413 0.000 1.280 300 A HN 0.517 nan 8.150 nan 0.000 0.398 301 S N 0.590 116.483 115.700 0.321 0.000 2.632 301 S HA 0.749 5.252 4.470 0.053 0.000 0.289 301 S C -0.051 174.864 174.600 0.525 0.000 1.115 301 S CA -0.625 57.807 58.200 0.387 0.000 0.889 301 S CB 1.187 64.605 63.200 0.364 0.000 1.116 301 S HN 0.656 nan 8.310 nan 0.000 0.486 302 L N 1.346 122.769 121.223 0.334 0.000 2.482 302 L HA 0.499 4.871 4.340 0.053 0.000 0.242 302 L C 0.108 177.102 176.870 0.208 0.000 1.210 302 L CA -0.694 54.266 54.840 0.200 0.000 0.819 302 L CB 0.092 42.181 42.059 0.049 0.000 1.203 302 L HN 0.489 nan 8.230 nan 0.000 0.495 303 V N -3.181 116.755 119.914 0.036 0.000 2.881 303 V HA 0.194 4.346 4.120 0.053 0.000 0.316 303 V C 0.654 176.693 176.094 -0.091 0.000 1.070 303 V CA -0.809 61.481 62.300 -0.018 0.000 0.976 303 V CB 1.645 33.428 31.823 -0.068 0.000 1.038 303 V HN 0.938 nan 8.190 nan 0.000 0.446 304 W N 1.541 122.704 121.300 -0.229 0.000 2.333 304 W HA -0.213 4.479 4.660 0.052 0.000 0.316 304 W C 1.827 178.187 176.519 -0.265 0.000 1.215 304 W CA 2.552 59.755 57.345 -0.236 0.000 1.278 304 W CB -0.097 29.204 29.460 -0.265 0.000 1.154 304 W HN 1.002 nan 8.180 nan 0.000 0.486 305 D N 0.220 120.364 120.400 -0.426 0.000 2.123 305 D HA -0.289 4.383 4.640 0.053 0.000 0.196 305 D C 2.125 178.062 176.300 -0.605 0.000 0.992 305 D CA 2.143 55.852 54.000 -0.485 0.000 0.833 305 D CB -0.458 40.298 40.800 -0.074 0.000 0.954 305 D HN 0.373 nan 8.370 nan 0.000 0.455 306 E N -0.466 119.261 120.200 -0.789 0.000 2.028 306 E HA -0.172 4.210 4.350 0.053 0.000 0.191 306 E C 2.053 178.306 176.600 -0.579 0.000 0.988 306 E CA 0.969 56.838 56.400 -0.885 0.000 0.799 306 E CB -0.225 28.872 29.700 -1.004 0.000 0.755 306 E HN 0.292 nan 8.360 nan 0.000 0.447 307 A N 1.248 123.753 122.820 -0.525 0.000 1.908 307 A HA -0.277 4.075 4.320 0.053 0.000 0.218 307 A C 2.182 179.421 177.584 -0.575 0.000 1.181 307 A CA 1.921 53.691 52.037 -0.445 0.000 0.627 307 A CB -0.732 18.123 19.000 -0.242 0.000 0.818 307 A HN 0.462 nan 8.150 nan 0.000 0.445 308 Q N -0.575 118.669 119.800 -0.927 0.000 2.079 308 Q HA -0.171 4.201 4.340 0.053 0.000 0.200 308 Q C 2.182 177.902 176.000 -0.466 0.000 0.974 308 Q CA 1.717 57.013 55.803 -0.845 0.000 0.840 308 Q CB -0.157 27.810 28.738 -1.286 0.000 0.898 308 Q HN 0.657 nan 8.270 nan 0.000 0.430 309 K N 0.046 120.195 120.400 -0.420 0.000 2.097 309 K HA -0.160 4.192 4.320 0.053 0.000 0.206 309 K C 2.065 178.521 176.600 -0.240 0.000 1.049 309 K CA 0.831 56.963 56.287 -0.258 0.000 0.933 309 K CB -0.060 32.332 32.500 -0.180 0.000 0.717 309 K HN 0.189 nan 8.250 nan 0.000 0.442 310 L N 1.384 122.421 121.223 -0.310 0.000 2.131 310 L HA -0.148 4.224 4.340 0.053 0.000 0.210 310 L C 2.286 179.020 176.870 -0.227 0.000 1.092 310 L CA 2.209 56.864 54.840 -0.309 0.000 0.759 310 L CB -1.013 40.773 42.059 -0.456 0.000 0.903 310 L HN 0.352 nan 8.230 nan 0.000 0.435 311 T N -4.266 110.157 114.554 -0.217 0.000 2.803 311 T HA -0.098 4.284 4.350 0.053 0.000 0.269 311 T C 1.897 176.534 174.700 -0.106 0.000 1.052 311 T CA 1.068 63.081 62.100 -0.143 0.000 1.136 311 T CB -1.044 67.750 68.868 -0.123 0.000 0.864 311 T HN 0.372 nan 8.240 nan 0.000 0.467 312 G N 1.214 109.945 108.800 -0.116 0.000 2.395 312 G HA2 -0.034 3.958 3.960 0.053 0.000 0.214 312 G HA3 -0.034 3.958 3.960 0.053 0.000 0.214 312 G C 1.928 176.784 174.900 -0.074 0.000 1.177 312 G CA -0.143 44.906 45.100 -0.085 0.000 0.794 312 G HN 0.335 nan 8.290 nan 0.000 0.532 313 R N 0.190 120.636 120.500 -0.089 0.000 2.119 313 R HA 0.059 4.431 4.340 0.053 0.000 0.222 313 R C -0.169 176.105 176.300 -0.044 0.000 1.088 313 R CA 0.760 56.821 56.100 -0.065 0.000 0.984 313 R CB -0.168 30.085 30.300 -0.078 0.000 0.884 313 R HN 0.344 nan 8.270 nan 0.000 0.447 314 D N -0.484 119.885 120.400 -0.052 0.000 2.411 314 D HA 0.145 4.817 4.640 0.053 0.000 0.239 314 D C -2.182 174.119 176.300 0.001 0.000 1.307 314 D CA -1.718 52.285 54.000 0.004 0.000 0.930 314 D CB 1.407 42.255 40.800 0.081 0.000 1.395 314 D HN -0.158 nan 8.370 nan 0.000 0.536 315 P HA 0.033 nan 4.420 nan 0.000 0.230 315 P C 0.094 177.396 177.300 0.003 0.000 1.158 315 P CA 0.552 63.639 63.100 -0.022 0.000 0.769 315 P CB 0.489 32.174 31.700 -0.026 0.000 0.807 316 D N -1.441 118.970 120.400 0.018 0.000 2.388 316 D HA 0.071 4.743 4.640 0.053 0.000 0.221 316 D C 1.212 177.535 176.300 0.039 0.000 1.133 316 D CA -0.415 53.598 54.000 0.021 0.000 0.831 316 D CB -0.556 40.236 40.800 -0.013 0.000 0.962 316 D HN 0.104 nan 8.370 nan 0.000 0.502 317 F N 1.215 121.096 119.950 -0.116 0.000 2.120 317 F HA -0.250 4.309 4.527 0.053 0.000 0.300 317 F C 2.011 177.763 175.800 -0.080 0.000 1.095 317 F CA 1.915 59.836 58.000 -0.132 0.000 1.249 317 F CB 0.054 38.925 39.000 -0.214 0.000 0.995 317 F HN 0.116 nan 8.300 nan 0.000 0.480 318 H N -1.261 117.713 119.070 -0.160 0.000 2.403 318 H HA -0.042 4.545 4.556 0.053 0.000 0.298 318 H C 2.390 177.615 175.328 -0.170 0.000 1.059 318 H CA 0.827 56.645 56.048 -0.385 0.000 1.363 318 H CB -0.111 29.263 29.762 -0.645 0.000 1.410 318 H HN 0.160 nan 8.280 nan 0.000 0.528 319 R N 1.313 121.908 120.500 0.158 0.000 2.083 319 R HA -0.160 4.212 4.340 0.053 0.000 0.237 319 R C 2.419 178.814 176.300 0.158 0.000 1.137 319 R CA 1.556 57.796 56.100 0.233 0.000 0.951 319 R CB -0.073 30.351 30.300 0.208 0.000 0.851 319 R HN 0.207 nan 8.270 nan 0.000 0.434 320 R N 0.247 120.760 120.500 0.023 0.000 2.075 320 R HA -0.137 4.235 4.340 0.053 0.000 0.232 320 R C 2.156 178.449 176.300 -0.012 0.000 1.126 320 R CA 1.635 57.733 56.100 -0.004 0.000 0.963 320 R CB -0.205 30.056 30.300 -0.065 0.000 0.858 320 R HN 0.289 nan 8.270 nan 0.000 0.435 321 E N 0.653 120.744 120.200 -0.182 0.000 2.106 321 E HA -0.183 4.199 4.350 0.053 0.000 0.192 321 E C 1.988 178.559 176.600 -0.047 0.000 0.984 321 E CA 0.849 57.113 56.400 -0.226 0.000 0.806 321 E CB -0.013 29.372 29.700 -0.524 0.000 0.750 321 E HN 0.266 nan 8.360 nan 0.000 0.458 322 L N 0.830 122.071 121.223 0.031 0.000 2.005 322 L HA -0.143 4.229 4.340 0.053 0.000 0.207 322 L C 2.268 179.243 176.870 0.175 0.000 1.072 322 L CA 1.827 56.732 54.840 0.108 0.000 0.744 322 L CB -0.952 41.227 42.059 0.200 0.000 0.895 322 L HN 0.301 nan 8.230 nan 0.000 0.433 323 W N 0.900 122.236 121.300 0.060 0.000 2.335 323 W HA -0.227 4.464 4.660 0.051 0.000 0.311 323 W C 2.212 178.763 176.519 0.053 0.000 1.213 323 W CA 2.222 59.614 57.345 0.078 0.000 1.274 323 W CB -0.139 29.369 29.460 0.080 0.000 1.148 323 W HN 0.360 nan 8.180 nan 0.000 0.498 324 E N -0.221 120.162 120.200 0.306 0.000 2.208 324 E HA -0.110 4.272 4.350 0.053 0.000 0.193 324 E C 2.335 178.975 176.600 0.066 0.000 0.988 324 E CA 0.910 57.411 56.400 0.168 0.000 0.828 324 E CB -0.240 29.510 29.700 0.084 0.000 0.763 324 E HN 0.189 nan 8.360 nan 0.000 0.478 325 A N 1.084 123.940 122.820 0.060 0.000 1.898 325 A HA -0.156 4.196 4.320 0.053 0.000 0.216 325 A C 2.114 179.740 177.584 0.071 0.000 1.181 325 A CA 0.976 53.043 52.037 0.050 0.000 0.620 325 A CB -0.433 18.592 19.000 0.042 0.000 0.819 325 A HN 0.128 nan 8.150 nan 0.000 0.442 326 I N -0.408 120.218 120.570 0.094 0.000 2.252 326 I HA -0.225 3.977 4.170 0.053 0.000 0.245 326 I C 2.450 178.656 176.117 0.149 0.000 1.102 326 I CA 1.305 62.712 61.300 0.178 0.000 1.385 326 I CB -0.420 37.603 38.000 0.038 0.000 1.064 326 I HN 0.406 nan 8.210 nan 0.000 0.414 327 E N 0.928 121.156 120.200 0.046 0.000 2.130 327 E HA -0.260 4.122 4.350 0.053 0.000 0.196 327 E C 2.159 178.785 176.600 0.044 0.000 0.998 327 E CA 1.510 57.947 56.400 0.063 0.000 0.806 327 E CB -0.197 29.567 29.700 0.107 0.000 0.738 327 E HN 0.539 nan 8.360 nan 0.000 0.459 328 A N -0.054 122.768 122.820 0.005 0.000 2.169 328 A HA 0.200 4.552 4.320 0.053 0.000 0.212 328 A C 1.816 179.337 177.584 -0.104 0.000 1.153 328 A CA 1.029 53.044 52.037 -0.037 0.000 0.756 328 A CB -0.095 18.868 19.000 -0.061 0.000 0.813 328 A HN 0.361 nan 8.150 nan 0.000 0.471 329 G N -0.578 108.079 108.800 -0.239 0.000 2.157 329 G HA2 -0.194 3.798 3.960 0.053 0.000 0.248 329 G HA3 -0.194 3.798 3.960 0.053 0.000 0.248 329 G C -0.194 174.230 174.900 -0.795 0.000 0.979 329 G CA 0.243 44.889 45.100 -0.758 0.000 0.650 329 G HN 0.431 nan 8.290 nan 0.000 0.529 330 D N 0.951 121.156 120.400 -0.325 0.000 2.994 330 D HA 0.279 4.951 4.640 0.053 0.000 0.240 330 D C 0.762 177.040 176.300 -0.038 0.000 1.195 330 D CA -0.164 53.743 54.000 -0.154 0.000 0.957 330 D CB -0.679 40.122 40.800 0.002 0.000 1.105 330 D HN 0.448 nan 8.370 nan 0.000 0.477 331 F N 1.283 121.234 119.950 0.001 0.000 2.578 331 F HA 0.094 4.653 4.527 0.054 0.000 0.376 331 F C -1.360 174.408 175.800 -0.052 0.000 1.085 331 F CA -1.991 56.002 58.000 -0.013 0.000 1.260 331 F CB 0.113 39.116 39.000 0.004 0.000 1.095 331 F HN -0.126 nan 8.300 nan 0.000 0.573 332 P HA -0.003 nan 4.420 nan 0.000 0.262 332 P C -1.113 176.125 177.300 -0.103 0.000 1.199 332 P CA 0.529 63.608 63.100 -0.035 0.000 0.763 332 P CB 0.381 32.148 31.700 0.110 0.000 0.790 333 E N 2.615 122.617 120.200 -0.330 0.000 2.238 333 E HA 0.499 4.881 4.350 0.053 0.000 0.267 333 E C -1.016 175.309 176.600 -0.459 0.000 0.887 333 E CA -0.604 55.668 56.400 -0.213 0.000 0.769 333 E CB 1.580 31.248 29.700 -0.052 0.000 1.187 333 E HN 0.374 nan 8.360 nan 0.000 0.416 334 Y N 0.130 120.509 120.300 0.132 0.000 2.504 334 Y HA 0.255 4.839 4.550 0.056 0.000 0.344 334 Y C -0.360 175.777 175.900 0.396 0.000 1.023 334 Y CA -0.990 57.267 58.100 0.261 0.000 1.020 334 Y CB 2.073 40.675 38.460 0.236 0.000 1.282 334 Y HN 0.462 nan 8.280 nan 0.000 0.454 335 E N 2.376 122.909 120.200 0.556 0.000 2.156 335 E HA 0.422 4.804 4.350 0.053 0.000 0.279 335 E C -1.489 175.381 176.600 0.449 0.000 0.965 335 E CA -0.979 55.685 56.400 0.439 0.000 0.789 335 E CB 1.120 31.013 29.700 0.321 0.000 1.098 335 E HN 0.578 nan 8.360 nan 0.000 0.397 336 L N 4.152 125.547 121.223 0.287 0.000 2.367 336 L HA 0.500 4.872 4.340 0.053 0.000 0.275 336 L C -0.121 176.647 176.870 -0.169 0.000 1.129 336 L CA 0.530 55.248 54.840 -0.205 0.000 0.839 336 L CB 1.018 42.907 42.059 -0.284 0.000 1.133 336 L HN 0.555 nan 8.230 nan 0.000 0.453 337 G N 4.660 113.384 108.800 -0.128 0.000 2.591 337 G HA2 0.555 4.547 3.960 0.053 0.000 0.306 337 G HA3 0.555 4.547 3.960 0.053 0.000 0.306 337 G C -1.546 173.458 174.900 0.173 0.000 1.334 337 G CA -0.485 44.586 45.100 -0.049 0.000 0.981 337 G HN 0.477 nan 8.290 nan 0.000 0.491 338 F N 0.426 120.375 119.950 -0.003 0.000 2.482 338 F HA 0.366 4.926 4.527 0.054 0.000 0.331 338 F C 0.424 176.202 175.800 -0.036 0.000 1.115 338 F CA -0.965 57.028 58.000 -0.010 0.000 0.955 338 F CB 2.525 41.503 39.000 -0.037 0.000 1.136 338 F HN 0.152 nan 8.300 nan 0.000 0.452 339 Q N 4.526 124.428 119.800 0.170 0.000 2.296 339 Q HA 0.475 4.847 4.340 0.053 0.000 0.257 339 Q C -1.038 174.993 176.000 0.053 0.000 0.942 339 Q CA -0.412 55.443 55.803 0.087 0.000 0.939 339 Q CB 1.962 30.757 28.738 0.096 0.000 1.198 339 Q HN 0.542 nan 8.270 nan 0.000 0.429 340 L N 4.061 125.324 121.223 0.068 0.000 2.322 340 L HA 0.577 4.949 4.340 0.053 0.000 0.281 340 L C -0.794 176.126 176.870 0.082 0.000 1.014 340 L CA -0.804 54.064 54.840 0.047 0.000 0.815 340 L CB 1.246 43.339 42.059 0.057 0.000 1.247 340 L HN 0.509 nan 8.230 nan 0.000 0.421 341 I N 4.236 124.873 120.570 0.110 0.000 2.478 341 I HA 0.409 4.612 4.170 0.053 0.000 0.287 341 I C -2.330 173.896 176.117 0.181 0.000 1.042 341 I CA -1.718 59.692 61.300 0.184 0.000 1.067 341 I CB 1.877 40.020 38.000 0.238 0.000 1.233 341 I HN 0.298 nan 8.210 nan 0.000 0.431 342 P HA 0.040 nan 4.420 nan 0.000 0.269 342 P C 0.690 178.035 177.300 0.074 0.000 1.217 342 P CA -0.173 62.949 63.100 0.037 0.000 0.783 342 P CB 0.801 32.523 31.700 0.036 0.000 0.898 343 E N 1.196 121.349 120.200 -0.078 0.000 2.110 343 E HA -0.245 4.137 4.350 0.053 0.000 0.193 343 E C 0.856 177.535 176.600 0.131 0.000 0.988 343 E CA 1.295 57.642 56.400 -0.087 0.000 0.804 343 E CB -0.050 29.512 29.700 -0.231 0.000 0.745 343 E HN 0.399 nan 8.360 nan 0.000 0.458 344 E N 0.738 120.989 120.200 0.084 0.000 2.409 344 E HA -0.124 4.258 4.350 0.053 0.000 0.198 344 E C 0.703 177.366 176.600 0.106 0.000 1.024 344 E CA 0.922 57.383 56.400 0.101 0.000 0.861 344 E CB 0.034 29.771 29.700 0.063 0.000 0.788 344 E HN 0.251 nan 8.360 nan 0.000 0.521 345 D N 0.219 120.685 120.400 0.110 0.000 2.325 345 D HA -0.022 4.650 4.640 0.053 0.000 0.225 345 D C 1.248 177.578 176.300 0.050 0.000 1.096 345 D CA 0.094 54.135 54.000 0.068 0.000 0.844 345 D CB 0.033 40.885 40.800 0.087 0.000 0.925 345 D HN 0.308 nan 8.370 nan 0.000 0.513 346 E N -0.238 119.967 120.200 0.008 0.000 2.097 346 E HA -0.199 4.183 4.350 0.053 0.000 0.196 346 E C 0.437 176.700 176.600 -0.561 0.000 1.000 346 E CA 1.117 57.297 56.400 -0.366 0.000 0.804 346 E CB 0.026 29.367 29.700 -0.599 0.000 0.740 346 E HN 0.260 nan 8.360 nan 0.000 0.454 347 F N -0.427 119.522 119.950 -0.001 0.000 2.647 347 F HA 0.286 4.845 4.527 0.053 0.000 0.300 347 F C 1.307 177.030 175.800 -0.129 0.000 1.106 347 F CA -0.272 57.700 58.000 -0.046 0.000 1.313 347 F CB 0.590 39.574 39.000 -0.026 0.000 1.007 347 F HN -0.185 nan 8.300 nan 0.000 0.536 348 K N 0.046 120.352 120.400 -0.158 0.000 2.444 348 K HA 0.119 4.471 4.320 0.053 0.000 0.193 348 K C -0.229 175.931 176.600 -0.733 0.000 1.024 348 K CA 0.369 56.391 56.287 -0.442 0.000 1.077 348 K CB 0.191 32.371 32.500 -0.532 0.000 0.833 348 K HN 0.149 nan 8.250 nan 0.000 0.517 349 F N 0.623 120.419 119.950 -0.257 0.000 2.497 349 F HA 0.092 4.652 4.527 0.055 0.000 0.331 349 F C 1.122 176.736 175.800 -0.309 0.000 1.060 349 F CA -1.286 56.469 58.000 -0.407 0.000 0.989 349 F CB 0.759 39.155 39.000 -1.008 0.000 1.245 349 F HN -0.033 nan 8.300 nan 0.000 0.486 350 D N -0.360 120.064 120.400 0.041 0.000 2.328 350 D HA 0.046 4.718 4.640 0.053 0.000 0.226 350 D C -0.350 176.060 176.300 0.183 0.000 1.066 350 D CA 0.128 54.193 54.000 0.108 0.000 0.861 350 D CB -0.867 40.022 40.800 0.148 0.000 0.912 350 D HN 0.254 nan 8.370 nan 0.000 0.521 351 F N -1.499 118.538 119.950 0.144 0.000 2.618 351 F HA 0.553 5.111 4.527 0.052 0.000 0.332 351 F C -0.136 175.666 175.800 0.004 0.000 1.061 351 F CA -1.739 56.271 58.000 0.017 0.000 0.974 351 F CB 0.899 39.858 39.000 -0.069 0.000 1.310 351 F HN -0.335 nan 8.300 nan 0.000 0.491 352 D N 1.512 121.936 120.400 0.039 0.000 2.277 352 D HA 0.205 4.878 4.640 0.053 0.000 0.249 352 D C 0.963 177.217 176.300 -0.076 0.000 1.134 352 D CA -0.133 53.841 54.000 -0.043 0.000 0.863 352 D CB 1.564 42.386 40.800 0.036 0.000 1.143 352 D HN 0.741 nan 8.370 nan 0.000 0.458 353 L N 3.373 124.482 121.223 -0.190 0.000 2.187 353 L HA -0.142 4.230 4.340 0.053 0.000 0.213 353 L C 1.945 178.698 176.870 -0.195 0.000 1.100 353 L CA 0.762 55.470 54.840 -0.220 0.000 0.765 353 L CB -0.060 41.721 42.059 -0.463 0.000 0.904 353 L HN 0.473 nan 8.230 nan 0.000 0.437 354 L N -1.037 120.097 121.223 -0.148 0.000 2.591 354 L HA 0.059 4.431 4.340 0.053 0.000 0.228 354 L C 0.421 177.252 176.870 -0.066 0.000 1.133 354 L CA -0.141 54.677 54.840 -0.036 0.000 0.880 354 L CB -0.238 41.903 42.059 0.136 0.000 1.033 354 L HN 0.091 nan 8.230 nan 0.000 0.450 355 D N 2.035 122.172 120.400 -0.438 0.000 2.347 355 D HA 0.117 4.790 4.640 0.053 0.000 0.235 355 D C -1.666 174.409 176.300 -0.375 0.000 1.149 355 D CA -2.217 51.249 54.000 -0.889 0.000 0.850 355 D CB 1.534 41.556 40.800 -1.297 0.000 1.061 355 D HN -0.042 nan 8.370 nan 0.000 0.487 356 P HA 0.010 nan 4.420 nan 0.000 0.253 356 P C 0.755 177.960 177.300 -0.157 0.000 1.260 356 P CA 0.334 63.360 63.100 -0.123 0.000 0.800 356 P CB -0.004 31.704 31.700 0.014 0.000 1.162 357 T N -4.047 110.404 114.554 -0.173 0.000 3.107 357 T HA 0.151 4.533 4.350 0.053 0.000 0.249 357 T C 0.718 175.335 174.700 -0.140 0.000 1.096 357 T CA -0.105 61.906 62.100 -0.148 0.000 1.012 357 T CB -0.199 68.622 68.868 -0.078 0.000 0.977 357 T HN -0.130 nan 8.240 nan 0.000 0.527 358 K N 2.161 122.384 120.400 -0.297 0.000 2.182 358 K HA 0.573 4.925 4.320 0.053 0.000 0.262 358 K C -0.333 176.094 176.600 -0.288 0.000 0.957 358 K CA -0.822 55.171 56.287 -0.490 0.000 0.842 358 K CB 2.118 34.200 32.500 -0.698 0.000 1.099 358 K HN 0.298 nan 8.250 nan 0.000 0.438 359 L N -0.391 120.788 121.223 -0.073 0.000 2.358 359 L HA 0.646 5.018 4.340 0.053 0.000 0.268 359 L C -0.065 176.628 176.870 -0.294 0.000 1.032 359 L CA -0.561 54.196 54.840 -0.138 0.000 0.805 359 L CB 0.360 42.410 42.059 -0.015 0.000 1.253 359 L HN 0.443 nan 8.230 nan 0.000 0.452 360 I N 1.670 122.156 120.570 -0.140 0.000 2.306 360 I HA 0.368 4.570 4.170 0.053 0.000 0.288 360 I C -2.108 174.016 176.117 0.012 0.000 1.036 360 I CA -1.633 59.630 61.300 -0.061 0.000 1.221 360 I CB 1.019 39.004 38.000 -0.025 0.000 1.385 360 I HN 0.451 nan 8.210 nan 0.000 0.472 361 P HA 0.059 nan 4.420 nan 0.000 0.268 361 P C 0.282 177.638 177.300 0.093 0.000 1.204 361 P CA -0.033 63.102 63.100 0.058 0.000 0.768 361 P CB 0.650 32.373 31.700 0.039 0.000 0.842 362 E N 1.588 121.853 120.200 0.108 0.000 2.268 362 E HA -0.175 4.207 4.350 0.053 0.000 0.195 362 E C 1.330 177.980 176.600 0.082 0.000 0.995 362 E CA 0.705 57.159 56.400 0.090 0.000 0.836 362 E CB 0.014 29.769 29.700 0.091 0.000 0.763 362 E HN 0.502 nan 8.360 nan 0.000 0.491 363 E N 0.405 120.655 120.200 0.084 0.000 2.204 363 E HA -0.126 4.256 4.350 0.053 0.000 0.194 363 E C 2.023 178.687 176.600 0.105 0.000 0.989 363 E CA 0.701 57.150 56.400 0.080 0.000 0.824 363 E CB 0.111 29.852 29.700 0.068 0.000 0.756 363 E HN 0.365 nan 8.360 nan 0.000 0.477 364 L N -0.395 120.912 121.223 0.139 0.000 2.168 364 L HA 0.057 4.429 4.340 0.053 0.000 0.203 364 L C 0.649 177.641 176.870 0.205 0.000 1.078 364 L CA 0.453 55.418 54.840 0.209 0.000 0.780 364 L CB 0.405 42.656 42.059 0.320 0.000 0.939 364 L HN -0.203 nan 8.230 nan 0.000 0.451 365 V N 1.681 121.684 119.914 0.148 0.000 2.419 365 V HA 0.320 4.472 4.120 0.053 0.000 0.287 365 V C -2.315 173.823 176.094 0.074 0.000 1.017 365 V CA -1.441 60.932 62.300 0.121 0.000 0.844 365 V CB 1.573 33.455 31.823 0.099 0.000 1.011 365 V HN -0.023 nan 8.190 nan 0.000 0.429 366 P HA 0.203 nan 4.420 nan 0.000 0.274 366 P C -0.350 176.949 177.300 -0.003 0.000 1.237 366 P CA -0.104 63.015 63.100 0.032 0.000 0.793 366 P CB 1.329 33.052 31.700 0.039 0.000 0.977 367 V N 2.682 122.561 119.914 -0.057 0.000 2.455 367 V HA 0.081 4.233 4.120 0.053 0.000 0.273 367 V C 0.933 177.010 176.094 -0.028 0.000 1.045 367 V CA 0.044 62.276 62.300 -0.113 0.000 0.976 367 V CB 0.148 31.819 31.823 -0.254 0.000 0.993 367 V HN 0.542 nan 8.190 nan 0.000 0.475 368 Q N 5.636 125.440 119.800 0.006 0.000 2.295 368 Q HA 0.284 4.656 4.340 0.053 0.000 0.259 368 Q C -0.152 175.829 176.000 -0.032 0.000 0.976 368 Q CA -0.536 55.273 55.803 0.010 0.000 0.923 368 Q CB 0.561 29.318 28.738 0.031 0.000 1.185 368 Q HN 0.646 nan 8.270 nan 0.000 0.410 369 R N 2.953 123.466 120.500 0.023 0.000 2.316 369 R HA 0.130 4.502 4.340 0.053 0.000 0.314 369 R C 0.206 176.541 176.300 0.058 0.000 1.069 369 R CA -0.319 55.826 56.100 0.075 0.000 0.959 369 R CB 0.974 31.404 30.300 0.217 0.000 0.987 369 R HN 0.477 nan 8.270 nan 0.000 0.446 370 V N 1.560 121.372 119.914 -0.171 0.000 3.484 370 V HA 0.303 4.456 4.120 0.053 0.000 0.252 370 V C 0.685 176.504 176.094 -0.459 0.000 1.282 370 V CA 1.065 63.173 62.300 -0.320 0.000 1.104 370 V CB 1.103 32.464 31.823 -0.769 0.000 0.868 370 V HN 1.032 nan 8.190 nan 0.000 0.457 371 G N -0.332 108.012 108.800 -0.760 0.000 0.000 371 G HA2 0.464 4.456 3.960 0.053 0.000 0.000 371 G HA3 0.464 4.456 3.960 0.053 0.000 0.000 371 G C -1.793 172.738 174.900 -0.616 0.000 0.000 371 G CA -0.573 43.904 45.100 -1.039 0.000 0.000 371 G HN 0.006 nan 8.290 nan 0.000 0.000 372 K N -0.350 119.786 120.400 -0.440 0.000 2.427 372 K HA 0.714 5.067 4.320 0.053 0.000 0.252 372 K C -0.813 175.871 176.600 0.140 0.000 0.931 372 K CA -0.796 55.517 56.287 0.043 0.000 0.793 372 K CB 2.092 34.658 32.500 0.111 0.000 1.211 372 K HN 0.631 nan 8.250 nan 0.000 0.426 373 M N 4.426 124.234 119.600 0.347 0.000 2.383 373 M HA 0.449 4.961 4.480 0.053 0.000 0.325 373 M C -1.727 174.556 176.300 -0.028 0.000 1.092 373 M CA -0.747 54.669 55.300 0.194 0.000 0.961 373 M CB 1.745 34.474 32.600 0.215 0.000 1.672 373 M HN 0.346 nan 8.290 nan 0.000 0.438 374 V N 6.241 125.964 119.914 -0.317 0.000 2.483 374 V HA 0.405 4.557 4.120 0.053 0.000 0.297 374 V C -0.595 175.340 176.094 -0.266 0.000 1.027 374 V CA -0.686 61.426 62.300 -0.313 0.000 0.855 374 V CB 1.736 33.245 31.823 -0.522 0.000 0.995 374 V HN 0.814 nan 8.190 nan 0.000 0.424 375 L N 5.652 126.809 121.223 -0.111 0.000 2.259 375 L HA 0.458 4.830 4.340 0.053 0.000 0.288 375 L C 0.552 177.306 176.870 -0.193 0.000 1.051 375 L CA -0.276 54.504 54.840 -0.101 0.000 0.824 375 L CB 0.738 42.794 42.059 -0.005 0.000 1.206 375 L HN 0.869 nan 8.230 nan 0.000 0.429 376 N N 2.405 120.904 118.700 -0.335 0.000 2.170 376 N HA 0.124 4.896 4.740 0.053 0.000 0.222 376 N C 0.033 175.341 175.510 -0.337 0.000 1.218 376 N CA -0.354 52.248 53.050 -0.746 0.000 0.889 376 N CB 0.758 38.523 38.487 -1.204 0.000 1.083 376 N HN 0.444 nan 8.380 nan 0.000 0.520 377 R N 0.252 120.668 120.500 -0.140 0.000 2.535 377 R HA 0.300 4.672 4.340 0.053 0.000 0.274 377 R C -1.269 174.982 176.300 -0.081 0.000 1.090 377 R CA -0.552 55.493 56.100 -0.091 0.000 0.930 377 R CB 1.258 31.520 30.300 -0.065 0.000 1.223 377 R HN 0.063 nan 8.270 nan 0.000 0.441 378 N N 2.995 121.527 118.700 -0.279 0.000 2.424 378 N HA 0.305 5.077 4.740 0.053 0.000 0.257 378 N C -2.312 173.129 175.510 -0.116 0.000 1.250 378 N CA -1.233 51.516 53.050 -0.502 0.000 0.946 378 N CB 0.536 38.073 38.487 -1.584 0.000 1.175 378 N HN 0.307 nan 8.380 nan 0.000 0.477 379 P HA 0.148 nan 4.420 nan 0.000 0.274 379 P C 0.160 177.637 177.300 0.295 0.000 1.256 379 P CA -0.137 63.147 63.100 0.308 0.000 0.795 379 P CB 0.959 32.889 31.700 0.383 0.000 1.038 380 D N -1.076 119.471 120.400 0.244 0.000 2.201 380 D HA -0.020 4.652 4.640 0.053 0.000 0.209 380 D C 0.352 176.824 176.300 0.286 0.000 0.961 380 D CA 1.364 55.507 54.000 0.238 0.000 0.861 380 D CB 0.229 41.110 40.800 0.135 0.000 0.997 380 D HN 0.374 nan 8.370 nan 0.000 0.486 381 N N -0.163 118.698 118.700 0.268 0.000 2.461 381 N HA 0.002 4.774 4.740 0.053 0.000 0.284 381 N C 0.015 175.724 175.510 0.332 0.000 1.049 381 N CA -0.332 52.888 53.050 0.284 0.000 0.889 381 N CB 1.456 40.076 38.487 0.221 0.000 1.365 381 N HN -0.169 nan 8.380 nan 0.000 0.499 382 F N 4.470 124.572 119.950 0.254 0.000 2.095 382 F HA -0.164 4.394 4.527 0.053 0.000 0.298 382 F C 1.652 177.583 175.800 0.220 0.000 1.104 382 F CA 1.522 59.675 58.000 0.255 0.000 1.232 382 F CB -0.120 39.005 39.000 0.208 0.000 0.987 382 F HN 0.598 nan 8.300 nan 0.000 0.475 383 F N 0.840 121.020 119.950 0.384 0.000 2.102 383 F HA -0.119 4.441 4.527 0.055 0.000 0.298 383 F C 2.296 178.150 175.800 0.090 0.000 1.105 383 F CA 1.778 59.925 58.000 0.246 0.000 1.239 383 F CB -0.934 38.191 39.000 0.209 0.000 0.991 383 F HN -0.008 nan 8.300 nan 0.000 0.474 384 A N -0.355 122.590 122.820 0.208 0.000 1.930 384 A HA -0.140 4.212 4.320 0.053 0.000 0.217 384 A C 2.091 179.604 177.584 -0.120 0.000 1.175 384 A CA 1.948 54.019 52.037 0.058 0.000 0.627 384 A CB -0.645 18.442 19.000 0.145 0.000 0.815 384 A HN 0.589 nan 8.150 nan 0.000 0.443 385 E N -1.335 118.807 120.200 -0.097 0.000 2.132 385 E HA -0.060 4.322 4.350 0.053 0.000 0.193 385 E C 1.961 178.469 176.600 -0.154 0.000 0.951 385 E CA 0.469 56.749 56.400 -0.200 0.000 0.843 385 E CB -0.114 29.518 29.700 -0.113 0.000 0.807 385 E HN 0.561 nan 8.360 nan 0.000 0.467 386 N N 1.211 119.817 118.700 -0.156 0.000 2.182 386 N HA -0.152 4.620 4.740 0.053 0.000 0.186 386 N C 1.829 177.159 175.510 -0.299 0.000 1.036 386 N CA 1.283 54.194 53.050 -0.232 0.000 0.850 386 N CB 0.087 38.027 38.487 -0.911 0.000 1.010 386 N HN -0.074 nan 8.380 nan 0.000 0.432 387 E N 0.918 120.859 120.200 -0.432 0.000 2.110 387 E HA -0.097 4.285 4.350 0.053 0.000 0.193 387 E C 1.665 178.074 176.600 -0.319 0.000 0.988 387 E CA 1.459 57.691 56.400 -0.279 0.000 0.804 387 E CB -0.171 29.379 29.700 -0.250 0.000 0.745 387 E HN 0.488 nan 8.360 nan 0.000 0.458 388 Q N -0.293 119.247 119.800 -0.432 0.000 2.451 388 Q HA 0.232 4.604 4.340 0.053 0.000 0.206 388 Q C 0.055 175.937 176.000 -0.196 0.000 0.947 388 Q CA 0.242 55.846 55.803 -0.331 0.000 0.937 388 Q CB 0.370 28.892 28.738 -0.360 0.000 1.025 388 Q HN 0.221 nan 8.270 nan 0.000 0.511 389 A N 1.174 123.904 122.820 -0.150 0.000 2.511 389 A HA 0.428 4.780 4.320 0.053 0.000 0.242 389 A C -0.118 177.361 177.584 -0.175 0.000 1.069 389 A CA 0.213 52.148 52.037 -0.170 0.000 0.763 389 A CB 0.224 19.212 19.000 -0.021 0.000 1.001 389 A HN 0.273 nan 8.150 nan 0.000 0.498 390 A N 2.581 125.239 122.820 -0.270 0.000 2.310 390 A HA 0.692 5.044 4.320 0.053 0.000 0.304 390 A C -0.709 176.733 177.584 -0.237 0.000 1.231 390 A CA -0.425 51.516 52.037 -0.161 0.000 0.799 390 A CB 0.193 19.117 19.000 -0.127 0.000 1.162 390 A HN 0.635 nan 8.150 nan 0.000 0.486 391 F N 0.934 120.892 119.950 0.014 0.000 2.425 391 F HA 0.659 5.212 4.527 0.045 0.000 0.331 391 F C 0.410 176.194 175.800 -0.027 0.000 1.085 391 F CA -0.045 57.940 58.000 -0.025 0.000 1.028 391 F CB 1.843 40.772 39.000 -0.118 0.000 1.177 391 F HN 0.741 nan 8.300 nan 0.000 0.487 392 H N 2.829 121.765 119.070 -0.225 0.000 3.099 392 H HA 0.265 4.844 4.556 0.039 0.000 0.342 392 H C -2.457 172.514 175.328 -0.596 0.000 1.054 392 H CA -1.743 53.950 56.048 -0.592 0.000 1.328 392 H CB 2.637 31.972 29.762 -0.711 0.000 1.876 392 H HN 0.183 nan 8.280 nan 0.000 0.495 393 P HA -0.006 nan 4.420 nan 0.000 0.230 393 P C 1.050 178.222 177.300 -0.214 0.000 1.158 393 P CA 1.284 64.062 63.100 -0.537 0.000 0.769 393 P CB 0.134 31.558 31.700 -0.461 0.000 0.807 394 G N -1.158 107.336 108.800 -0.511 0.000 2.744 394 G HA2 -0.122 3.870 3.960 0.053 0.000 0.211 394 G HA3 -0.122 3.870 3.960 0.053 0.000 0.211 394 G C 0.437 175.558 174.900 0.369 0.000 1.143 394 G CA -0.089 45.086 45.100 0.126 0.000 0.788 394 G HN 0.432 nan 8.290 nan 0.000 0.534 395 H N 0.917 120.104 119.070 0.194 0.000 3.216 395 H HA 0.293 4.886 4.556 0.062 0.000 0.263 395 H C 0.654 176.090 175.328 0.180 0.000 1.601 395 H CA -0.742 55.393 56.048 0.146 0.000 1.509 395 H CB -0.139 29.678 29.762 0.092 0.000 1.759 395 H HN 0.382 nan 8.280 nan 0.000 0.533 396 I N -0.451 120.242 120.570 0.204 0.000 3.205 396 I HA 0.659 4.861 4.170 0.053 0.000 0.310 396 I C -0.031 176.063 176.117 -0.038 0.000 1.089 396 I CA -1.365 59.961 61.300 0.043 0.000 1.023 396 I CB 1.762 39.678 38.000 -0.141 0.000 1.269 396 I HN 0.094 nan 8.210 nan 0.000 0.512 397 V N -2.232 117.637 119.914 -0.074 0.000 3.102 397 V HA 0.669 4.821 4.120 0.053 0.000 0.312 397 V C -2.853 173.337 176.094 0.160 0.000 1.135 397 V CA -2.536 59.790 62.300 0.044 0.000 1.022 397 V CB 1.017 32.847 31.823 0.012 0.000 1.056 397 V HN 0.625 nan 8.190 nan 0.000 0.436 398 P HA 0.395 nan 4.420 nan 0.000 0.265 398 P C 0.891 178.178 177.300 -0.022 0.000 1.193 398 P CA 1.918 65.077 63.100 0.097 0.000 0.765 398 P CB 0.769 32.508 31.700 0.065 0.000 0.823 399 G N 1.621 110.360 108.800 -0.102 0.000 2.238 399 G HA2 -0.156 3.836 3.960 0.053 0.000 0.217 399 G HA3 -0.156 3.836 3.960 0.053 0.000 0.217 399 G C -0.265 174.538 174.900 -0.162 0.000 0.996 399 G CA -0.421 44.602 45.100 -0.127 0.000 0.632 399 G HN 0.444 nan 8.290 nan 0.000 0.503 400 L N 0.093 121.230 121.223 -0.143 0.000 2.323 400 L HA 0.921 5.293 4.340 0.053 0.000 0.265 400 L C -0.532 176.270 176.870 -0.113 0.000 1.012 400 L CA -1.053 53.682 54.840 -0.174 0.000 0.820 400 L CB 2.124 44.002 42.059 -0.303 0.000 1.334 400 L HN 0.103 nan 8.230 nan 0.000 0.427 401 D N -0.684 119.635 120.400 -0.136 0.000 2.665 401 D HA 0.449 5.121 4.640 0.053 0.000 0.287 401 D C -1.262 174.942 176.300 -0.159 0.000 1.266 401 D CA -0.360 53.514 54.000 -0.209 0.000 0.830 401 D CB 1.896 42.652 40.800 -0.073 0.000 1.356 401 D HN 0.117 nan 8.370 nan 0.000 0.437 402 F N -0.185 119.892 119.950 0.211 0.000 2.321 402 F HA 0.514 5.083 4.527 0.069 0.000 0.318 402 F C 1.502 177.320 175.800 0.030 0.000 1.129 402 F CA -0.206 57.837 58.000 0.072 0.000 1.074 402 F CB 1.166 40.184 39.000 0.030 0.000 1.432 402 F HN 0.211 nan 8.300 nan 0.000 0.502 403 T N -3.231 111.421 114.554 0.163 0.000 2.742 403 T HA 0.304 4.686 4.350 0.053 0.000 0.282 403 T C -0.065 174.674 174.700 0.064 0.000 1.025 403 T CA -0.966 61.214 62.100 0.134 0.000 1.020 403 T CB 1.128 70.046 68.868 0.084 0.000 1.317 403 T HN 0.327 nan 8.240 nan 0.000 0.538 404 N N 1.133 119.873 118.700 0.067 0.000 2.449 404 N HA 0.065 4.837 4.740 0.053 0.000 0.191 404 N C 0.012 175.531 175.510 0.016 0.000 1.161 404 N CA 0.058 53.130 53.050 0.037 0.000 0.863 404 N CB -0.424 38.101 38.487 0.063 0.000 0.980 404 N HN 0.671 nan 8.380 nan 0.000 0.458 405 D N 2.223 122.618 120.400 -0.009 0.000 2.662 405 D HA -0.083 4.589 4.640 0.053 0.000 0.237 405 D C -1.359 174.938 176.300 -0.006 0.000 1.154 405 D CA -0.812 53.203 54.000 0.026 0.000 0.861 405 D CB 1.240 42.008 40.800 -0.055 0.000 1.146 405 D HN 0.169 nan 8.370 nan 0.000 0.518 406 P HA -0.094 nan 4.420 nan 0.000 0.233 406 P C 1.542 178.863 177.300 0.034 0.000 1.167 406 P CA 0.081 63.201 63.100 0.033 0.000 0.770 406 P CB 0.484 32.200 31.700 0.027 0.000 0.837 407 L N -0.196 121.066 121.223 0.066 0.000 2.102 407 L HA -0.003 4.369 4.340 0.053 0.000 0.202 407 L C 2.406 179.194 176.870 -0.137 0.000 1.076 407 L CA 1.206 56.075 54.840 0.047 0.000 0.761 407 L CB -1.513 40.657 42.059 0.184 0.000 0.921 407 L HN -0.167 nan 8.230 nan 0.000 0.444 408 L N -0.558 120.417 121.223 -0.413 0.000 2.012 408 L HA -0.227 4.145 4.340 0.053 0.000 0.210 408 L C 2.451 179.073 176.870 -0.415 0.000 1.073 408 L CA 1.801 56.188 54.840 -0.755 0.000 0.748 408 L CB -0.947 40.456 42.059 -1.094 0.000 0.891 408 L HN 0.368 nan 8.230 nan 0.000 0.431 409 Q N -0.179 119.450 119.800 -0.285 0.000 2.112 409 Q HA -0.169 4.203 4.340 0.053 0.000 0.206 409 Q C 2.080 177.998 176.000 -0.138 0.000 0.987 409 Q CA 1.845 57.520 55.803 -0.213 0.000 0.858 409 Q CB -0.769 27.897 28.738 -0.119 0.000 0.905 409 Q HN 0.712 nan 8.270 nan 0.000 0.420 410 G N 0.311 109.060 108.800 -0.084 0.000 2.430 410 G HA2 -0.179 3.813 3.960 0.053 0.000 0.216 410 G HA3 -0.179 3.813 3.960 0.053 0.000 0.216 410 G C 1.484 176.400 174.900 0.027 0.000 1.146 410 G CA 0.053 45.151 45.100 -0.002 0.000 0.793 410 G HN 0.242 nan 8.290 nan 0.000 0.537 411 R N -0.031 120.433 120.500 -0.059 0.000 2.117 411 R HA -0.027 4.345 4.340 0.053 0.000 0.243 411 R C 2.451 178.835 176.300 0.140 0.000 1.143 411 R CA 0.995 57.119 56.100 0.040 0.000 0.968 411 R CB -0.489 29.788 30.300 -0.039 0.000 0.863 411 R HN 0.340 nan 8.270 nan 0.000 0.444 412 L N -0.522 120.680 121.223 -0.034 0.000 2.131 412 L HA -0.195 4.177 4.340 0.053 0.000 0.210 412 L C 2.299 179.309 176.870 0.234 0.000 1.092 412 L CA 1.100 55.938 54.840 -0.005 0.000 0.759 412 L CB -0.451 41.450 42.059 -0.265 0.000 0.903 412 L HN 0.151 nan 8.230 nan 0.000 0.435 413 F N 0.251 120.233 119.950 0.054 0.000 2.113 413 F HA -0.221 4.284 4.527 -0.036 0.000 0.297 413 F C 2.840 178.676 175.800 0.061 0.000 1.103 413 F CA 1.693 59.720 58.000 0.044 0.000 1.248 413 F CB -0.253 38.752 39.000 0.008 0.000 0.999 413 F HN -0.036 nan 8.300 nan 0.000 0.475 414 S N -0.808 114.912 115.700 0.032 0.000 2.368 414 S HA -0.219 4.283 4.470 0.053 0.000 0.224 414 S C 2.037 176.508 174.600 -0.216 0.000 1.029 414 S CA 1.397 59.504 58.200 -0.155 0.000 0.988 414 S CB -0.825 62.304 63.200 -0.117 0.000 0.838 414 S HN 0.539 nan 8.310 nan 0.000 0.462 415 Y N 1.372 121.662 120.300 -0.017 0.000 2.439 415 Y HA 0.000 4.611 4.550 0.102 0.000 0.292 415 Y C 2.823 178.349 175.900 -0.624 0.000 1.130 415 Y CA 1.167 59.248 58.100 -0.032 0.000 1.254 415 Y CB -0.412 39.013 38.460 1.608 0.000 1.000 415 Y HN 0.286 nan 8.280 nan 0.000 0.554 416 T N -0.901 113.234 114.554 -0.699 0.000 2.852 416 T HA -0.144 4.238 4.350 0.053 0.000 0.256 416 T C 1.406 175.882 174.700 -0.373 0.000 1.038 416 T CA 1.399 63.205 62.100 -0.490 0.000 1.141 416 T CB -0.312 68.336 68.868 -0.366 0.000 0.869 416 T HN 0.304 nan 8.240 nan 0.000 0.439 417 D N 0.931 121.048 120.400 -0.471 0.000 2.104 417 D HA -0.120 4.552 4.640 0.053 0.000 0.194 417 D C 2.257 178.388 176.300 -0.282 0.000 0.994 417 D CA 1.511 55.257 54.000 -0.423 0.000 0.830 417 D CB -0.469 39.895 40.800 -0.727 0.000 0.959 417 D HN 0.230 nan 8.370 nan 0.000 0.452 418 T N -0.959 113.420 114.554 -0.291 0.000 2.881 418 T HA -0.132 4.250 4.350 0.053 0.000 0.270 418 T C 1.602 176.169 174.700 -0.221 0.000 1.068 418 T CA 1.157 63.129 62.100 -0.213 0.000 1.131 418 T CB -0.188 68.555 68.868 -0.209 0.000 0.871 418 T HN 0.163 nan 8.240 nan 0.000 0.479 419 Q N 0.537 120.129 119.800 -0.347 0.000 2.291 419 Q HA 0.024 4.396 4.340 0.053 0.000 0.205 419 Q C 2.227 178.100 176.000 -0.212 0.000 0.970 419 Q CA 0.597 56.135 55.803 -0.441 0.000 0.876 419 Q CB -0.373 27.683 28.738 -1.137 0.000 0.935 419 Q HN 0.506 nan 8.270 nan 0.000 0.455 420 I N 1.240 121.740 120.570 -0.117 0.000 2.286 420 I HA -0.220 3.982 4.170 0.053 0.000 0.248 420 I C 2.345 178.467 176.117 0.008 0.000 1.115 420 I CA 1.738 63.038 61.300 -0.000 0.000 1.392 420 I CB -1.405 36.599 38.000 0.007 0.000 1.065 420 I HN 0.188 nan 8.210 nan 0.000 0.418 421 S N 0.323 116.011 115.700 -0.021 0.000 2.404 421 S HA -0.078 4.425 4.470 0.053 0.000 0.223 421 S C 2.167 176.765 174.600 -0.003 0.000 1.040 421 S CA 0.224 58.425 58.200 0.002 0.000 0.957 421 S CB -0.415 62.787 63.200 0.002 0.000 0.826 421 S HN 0.301 nan 8.310 nan 0.000 0.491 422 R N 0.993 121.468 120.500 -0.042 0.000 2.083 422 R HA 0.107 4.479 4.340 0.053 0.000 0.237 422 R C 1.414 177.694 176.300 -0.034 0.000 1.137 422 R CA 1.569 57.644 56.100 -0.042 0.000 0.951 422 R CB -0.270 29.980 30.300 -0.083 0.000 0.851 422 R HN 0.454 nan 8.270 nan 0.000 0.434 423 L N -1.084 120.108 121.223 -0.052 0.000 2.857 423 L HA 0.327 4.699 4.340 0.053 0.000 0.249 423 L C 0.886 177.782 176.870 0.043 0.000 1.172 423 L CA 0.306 55.132 54.840 -0.024 0.000 0.980 423 L CB 1.136 43.168 42.059 -0.045 0.000 1.299 423 L HN 0.585 nan 8.230 nan 0.000 0.535 424 G N 0.080 108.926 108.800 0.077 0.000 2.179 424 G HA2 -0.133 3.859 3.960 0.053 0.000 0.260 424 G HA3 -0.133 3.859 3.960 0.053 0.000 0.260 424 G C 0.454 175.486 174.900 0.219 0.000 0.977 424 G CA 0.008 45.208 45.100 0.167 0.000 0.641 424 G HN 0.783 nan 8.290 nan 0.000 0.533 425 G N -1.653 107.266 108.800 0.198 0.000 2.341 425 G HA2 0.598 4.590 3.960 0.053 0.000 0.293 425 G HA3 0.598 4.590 3.960 0.053 0.000 0.293 425 G C -2.194 172.871 174.900 0.275 0.000 1.298 425 G CA 0.395 45.613 45.100 0.196 0.000 0.868 425 G HN 0.431 nan 8.290 nan 0.000 0.540 426 P HA 0.117 nan 4.420 nan 0.000 0.249 426 P C 0.356 177.681 177.300 0.041 0.000 1.229 426 P CA 0.361 63.574 63.100 0.189 0.000 0.788 426 P CB 0.194 31.956 31.700 0.104 0.000 1.072 427 N N 0.506 119.239 118.700 0.055 0.000 2.378 427 N HA 0.062 4.835 4.740 0.053 0.000 0.243 427 N C 0.932 176.307 175.510 -0.225 0.000 1.137 427 N CA -0.170 52.802 53.050 -0.131 0.000 0.862 427 N CB -0.621 37.819 38.487 -0.078 0.000 1.116 427 N HN 0.277 nan 8.380 nan 0.000 0.499 428 F N 0.532 120.476 119.950 -0.011 0.000 2.451 428 F HA -0.046 4.524 4.527 0.072 0.000 0.299 428 F C 2.235 177.974 175.800 -0.100 0.000 1.101 428 F CA 0.643 58.604 58.000 -0.065 0.000 1.436 428 F CB -0.690 38.289 39.000 -0.036 0.000 1.074 428 F HN 0.175 nan 8.300 nan 0.000 0.553 429 H N 0.580 119.293 119.070 -0.594 0.000 2.521 429 H HA 0.028 4.615 4.556 0.051 0.000 0.286 429 H C 0.903 176.077 175.328 -0.257 0.000 1.034 429 H CA 1.394 57.183 56.048 -0.432 0.000 1.278 429 H CB -0.765 28.606 29.762 -0.652 0.000 1.386 429 H HN 0.521 nan 8.280 nan 0.000 0.567 430 E N 1.091 120.859 120.200 -0.720 0.000 2.435 430 E HA 0.139 4.521 4.350 0.053 0.000 0.195 430 E C 0.421 176.905 176.600 -0.192 0.000 1.029 430 E CA -0.223 55.932 56.400 -0.409 0.000 0.865 430 E CB 0.369 29.832 29.700 -0.395 0.000 0.833 430 E HN 0.448 nan 8.360 nan 0.000 0.510 431 I N 2.905 123.383 120.570 -0.153 0.000 2.662 431 I HA -0.068 4.134 4.170 0.053 0.000 0.285 431 I C -1.555 174.503 176.117 -0.099 0.000 1.161 431 I CA -1.250 59.990 61.300 -0.099 0.000 1.415 431 I CB 0.448 38.403 38.000 -0.076 0.000 1.385 431 I HN -0.202 nan 8.210 nan 0.000 0.552 432 P HA -0.252 nan 4.420 nan 0.000 0.216 432 P C 1.747 178.977 177.300 -0.116 0.000 1.157 432 P CA 1.306 64.349 63.100 -0.095 0.000 0.880 432 P CB 0.161 31.808 31.700 -0.088 0.000 0.791 433 I N -0.809 119.666 120.570 -0.159 0.000 2.454 433 I HA -0.182 4.020 4.170 0.053 0.000 0.254 433 I C 1.317 177.372 176.117 -0.104 0.000 1.156 433 I CA 1.672 62.834 61.300 -0.230 0.000 1.433 433 I CB -0.718 37.028 38.000 -0.424 0.000 1.082 433 I HN -0.102 nan 8.210 nan 0.000 0.432 434 N N 0.603 119.254 118.700 -0.082 0.000 2.422 434 N HA 0.038 4.810 4.740 0.053 0.000 0.181 434 N C 0.344 175.865 175.510 0.019 0.000 1.080 434 N CA 0.206 53.233 53.050 -0.038 0.000 0.893 434 N CB -0.087 38.390 38.487 -0.017 0.000 0.973 434 N HN 0.371 nan 8.380 nan 0.000 0.456 435 R N 1.613 122.124 120.500 0.018 0.000 2.537 435 R HA 0.143 4.515 4.340 0.053 0.000 0.280 435 R C -2.184 174.185 176.300 0.115 0.000 1.058 435 R CA -1.169 54.944 56.100 0.021 0.000 1.057 435 R CB -0.056 30.241 30.300 -0.004 0.000 0.973 435 R HN 0.039 nan 8.270 nan 0.000 0.438 436 P HA -0.023 nan 4.420 nan 0.000 0.269 436 P C 0.540 177.919 177.300 0.132 0.000 1.215 436 P CA 0.029 63.210 63.100 0.136 0.000 0.780 436 P CB 0.669 32.404 31.700 0.058 0.000 0.898 437 T N -1.789 112.859 114.554 0.158 0.000 3.054 437 T HA 0.232 4.614 4.350 0.053 0.000 0.259 437 T C 0.975 175.723 174.700 0.081 0.000 1.092 437 T CA 0.130 62.274 62.100 0.073 0.000 1.121 437 T CB -0.367 68.528 68.868 0.046 0.000 0.912 437 T HN 0.477 nan 8.240 nan 0.000 0.489 438 A N 3.163 126.045 122.820 0.104 0.000 2.448 438 A HA 0.525 4.877 4.320 0.053 0.000 0.239 438 A C -2.123 175.514 177.584 0.088 0.000 1.080 438 A CA -1.251 50.842 52.037 0.093 0.000 0.779 438 A CB -0.455 18.602 19.000 0.096 0.000 1.026 438 A HN 0.284 nan 8.150 nan 0.000 0.499 439 P HA 0.283 nan 4.420 nan 0.000 0.269 439 P C -1.060 176.276 177.300 0.060 0.000 1.209 439 P CA 0.632 63.771 63.100 0.065 0.000 0.776 439 P CB 0.124 31.917 31.700 0.155 0.000 0.876 440 Y N 0.685 120.816 120.300 -0.282 0.000 2.386 440 Y HA 0.645 5.230 4.550 0.058 0.000 0.334 440 Y C -1.468 174.062 175.900 -0.617 0.000 1.002 440 Y CA -0.897 57.033 58.100 -0.283 0.000 1.068 440 Y CB 1.379 39.723 38.460 -0.193 0.000 1.203 440 Y HN 0.427 nan 8.280 nan 0.000 0.443 441 H N 4.027 122.964 119.070 -0.222 0.000 2.947 441 H HA 0.543 5.132 4.556 0.054 0.000 0.354 441 H C -1.143 174.055 175.328 -0.217 0.000 1.085 441 H CA -0.737 55.103 56.048 -0.348 0.000 1.253 441 H CB 1.665 31.267 29.762 -0.265 0.000 1.757 441 H HN 0.893 nan 8.280 nan 0.000 0.523 442 N N 0.469 119.063 118.700 -0.178 0.000 3.449 442 N HA 0.182 4.954 4.740 0.053 0.000 0.312 442 N C -1.204 174.091 175.510 -0.357 0.000 1.557 442 N CA -0.907 51.995 53.050 -0.247 0.000 0.864 442 N CB 0.699 39.197 38.487 0.019 0.000 1.799 442 N HN 0.293 nan 8.380 nan 0.000 0.554 443 F N -0.374 119.619 119.950 0.071 0.000 2.639 443 F HA 0.383 4.941 4.527 0.052 0.000 0.302 443 F C 0.452 176.294 175.800 0.071 0.000 1.097 443 F CA -0.371 57.664 58.000 0.058 0.000 1.294 443 F CB 0.213 39.237 39.000 0.041 0.000 1.027 443 F HN 0.129 nan 8.300 nan 0.000 0.550 444 Q N 1.597 121.510 119.800 0.188 0.000 2.340 444 Q HA 0.427 4.799 4.340 0.053 0.000 0.249 444 Q C 0.039 176.120 176.000 0.135 0.000 0.957 444 Q CA -0.064 55.828 55.803 0.148 0.000 0.882 444 Q CB 1.060 29.862 28.738 0.106 0.000 1.235 444 Q HN 0.099 nan 8.270 nan 0.000 0.439 445 R N 1.637 122.208 120.500 0.117 0.000 2.774 445 R HA 0.359 4.731 4.340 0.053 0.000 0.272 445 R C -0.721 175.626 176.300 0.080 0.000 1.000 445 R CA -0.630 55.530 56.100 0.100 0.000 0.906 445 R CB 1.243 31.603 30.300 0.100 0.000 1.227 445 R HN 0.733 nan 8.270 nan 0.000 0.468 446 D N -0.167 120.272 120.400 0.065 0.000 3.496 446 D HA -0.156 4.516 4.640 0.053 0.000 0.238 446 D C 0.322 176.648 176.300 0.044 0.000 1.707 446 D CA 1.857 55.885 54.000 0.045 0.000 1.150 446 D CB -1.059 39.765 40.800 0.040 0.000 0.759 446 D HN 0.904 nan 8.370 nan 0.000 0.936 447 G N -1.169 107.649 108.800 0.030 0.000 2.705 447 G HA2 0.196 4.188 3.960 0.053 0.000 0.686 447 G HA3 0.196 4.188 3.960 0.053 0.000 0.686 447 G C -0.192 174.705 174.900 -0.004 0.000 1.285 447 G CA 0.111 45.227 45.100 0.026 0.000 0.800 447 G HN 0.806 nan 8.290 nan 0.000 0.611 448 M N 1.392 120.970 119.600 -0.036 0.000 2.252 448 M HA 0.441 4.953 4.480 0.053 0.000 0.329 448 M C 1.296 177.519 176.300 -0.128 0.000 1.101 448 M CA 1.486 56.676 55.300 -0.183 0.000 1.117 448 M CB -0.648 31.785 32.600 -0.279 0.000 1.563 448 M HN 1.313 nan 8.290 nan 0.000 0.445 449 H N -0.804 118.270 119.070 0.007 0.000 2.886 449 H HA -0.162 4.424 4.556 0.051 0.000 0.294 449 H C -0.543 174.775 175.328 -0.016 0.000 1.246 449 H CA 0.578 56.625 56.048 -0.001 0.000 1.142 449 H CB -1.573 28.190 29.762 0.002 0.000 1.358 449 H HN 0.562 nan 8.280 nan 0.000 0.406 450 R N 1.433 121.961 120.500 0.046 0.000 2.296 450 R HA 0.140 4.512 4.340 0.053 0.000 0.323 450 R C 0.923 177.237 176.300 0.023 0.000 1.067 450 R CA -0.110 56.008 56.100 0.030 0.000 0.946 450 R CB 0.339 30.654 30.300 0.025 0.000 0.991 450 R HN 0.271 nan 8.270 nan 0.000 0.448 451 M N 2.429 122.032 119.600 0.004 0.000 2.412 451 M HA 0.218 4.730 4.480 0.053 0.000 0.263 451 M C 0.964 177.265 176.300 0.001 0.000 1.122 451 M CA 1.000 56.300 55.300 -0.001 0.000 1.179 451 M CB -0.825 31.761 32.600 -0.024 0.000 1.335 451 M HN 0.682 nan 8.290 nan 0.000 0.465 452 G N 1.971 110.775 108.800 0.007 0.000 2.365 452 G HA2 0.410 4.402 3.960 0.053 0.000 0.249 452 G HA3 0.410 4.402 3.960 0.053 0.000 0.249 452 G C -0.358 174.547 174.900 0.008 0.000 1.288 452 G CA -0.387 44.718 45.100 0.008 0.000 0.887 452 G HN 0.317 nan 8.290 nan 0.000 0.524 453 I N 2.937 123.505 120.570 -0.003 0.000 2.337 453 I HA 0.112 4.314 4.170 0.053 0.000 0.285 453 I C -0.311 175.804 176.117 -0.004 0.000 1.041 453 I CA -0.589 60.712 61.300 0.002 0.000 1.199 453 I CB 0.996 38.996 38.000 0.001 0.000 1.370 453 I HN 0.350 nan 8.210 nan 0.000 0.470 454 D N 4.702 125.105 120.400 0.005 0.000 2.351 454 D HA 0.069 4.741 4.640 0.053 0.000 0.251 454 D C 1.196 177.501 176.300 0.009 0.000 1.137 454 D CA 0.257 54.257 54.000 0.000 0.000 0.879 454 D CB 1.900 42.709 40.800 0.014 0.000 1.181 454 D HN 0.567 nan 8.370 nan 0.000 0.448 455 T N -0.894 113.659 114.554 -0.001 0.000 3.069 455 T HA -0.052 4.331 4.350 0.053 0.000 0.252 455 T C 0.814 175.523 174.700 0.015 0.000 1.053 455 T CA -0.546 61.557 62.100 0.005 0.000 0.964 455 T CB 0.141 69.005 68.868 -0.008 0.000 1.005 455 T HN 0.112 nan 8.240 nan 0.000 0.532 456 N N 3.414 122.125 118.700 0.018 0.000 2.411 456 N HA 0.098 4.870 4.740 0.053 0.000 0.265 456 N C -1.580 173.971 175.510 0.069 0.000 1.266 456 N CA -1.579 51.496 53.050 0.041 0.000 0.889 456 N CB 1.406 39.919 38.487 0.043 0.000 1.069 456 N HN 0.063 nan 8.380 nan 0.000 0.476 457 P HA -0.074 nan 4.420 nan 0.000 0.217 457 P C -0.499 176.864 177.300 0.105 0.000 1.148 457 P CA 1.101 64.249 63.100 0.079 0.000 0.828 457 P CB 0.170 31.911 31.700 0.070 0.000 0.783 458 A N 0.470 123.342 122.820 0.086 0.000 2.312 458 A HA 0.410 4.762 4.320 0.053 0.000 0.326 458 A C 0.475 178.151 177.584 0.153 0.000 1.172 458 A CA -0.640 51.394 52.037 -0.006 0.000 0.821 458 A CB 0.015 18.831 19.000 -0.307 0.000 1.166 458 A HN 0.295 nan 8.150 nan 0.000 0.493 459 N N 0.234 119.050 118.700 0.194 0.000 2.351 459 N HA 0.366 5.138 4.740 0.053 0.000 0.254 459 N C -0.912 174.729 175.510 0.220 0.000 1.241 459 N CA -0.368 52.878 53.050 0.326 0.000 0.883 459 N CB 0.327 38.971 38.487 0.262 0.000 1.202 459 N HN 0.681 nan 8.380 nan 0.000 0.512 460 Y N -1.139 119.014 120.300 -0.245 0.000 2.609 460 Y HA 0.669 5.250 4.550 0.052 0.000 0.336 460 Y C -1.453 173.835 175.900 -1.019 0.000 1.129 460 Y CA -1.382 56.414 58.100 -0.506 0.000 1.040 460 Y CB 1.007 39.333 38.460 -0.225 0.000 1.310 460 Y HN 0.070 nan 8.280 nan 0.000 0.460 461 E N 0.988 120.685 120.200 -0.840 0.000 2.340 461 E HA 0.675 5.057 4.350 0.053 0.000 0.273 461 E C -3.171 173.316 176.600 -0.190 0.000 0.891 461 E CA -2.059 53.967 56.400 -0.624 0.000 0.757 461 E CB 1.689 30.980 29.700 -0.682 0.000 1.231 461 E HN 0.545 nan 8.360 nan 0.000 0.439 462 P HA 0.283 nan 4.420 nan 0.000 0.275 462 P C -1.270 175.980 177.300 -0.082 0.000 1.228 462 P CA -0.437 62.595 63.100 -0.113 0.000 0.786 462 P CB 0.467 32.136 31.700 -0.051 0.000 0.927 463 N N -1.408 117.178 118.700 -0.190 0.000 2.262 463 N HA 0.348 5.120 4.740 0.053 0.000 0.295 463 N C 0.286 175.754 175.510 -0.069 0.000 1.161 463 N CA -0.768 52.182 53.050 -0.168 0.000 0.767 463 N CB 1.444 39.547 38.487 -0.641 0.000 1.499 463 N HN 0.180 nan 8.380 nan 0.000 0.476 464 S N 0.633 116.340 115.700 0.011 0.000 2.497 464 S HA 0.004 4.506 4.470 0.053 0.000 0.218 464 S C 1.548 176.165 174.600 0.028 0.000 1.023 464 S CA 0.063 58.270 58.200 0.013 0.000 0.913 464 S CB -0.796 62.421 63.200 0.030 0.000 0.800 464 S HN 0.708 nan 8.310 nan 0.000 0.505 465 I N -0.676 119.919 120.570 0.042 0.000 2.676 465 I HA 0.230 4.432 4.170 0.053 0.000 0.259 465 I C 1.353 177.504 176.117 0.058 0.000 1.194 465 I CA 1.202 62.537 61.300 0.059 0.000 1.473 465 I CB -0.393 37.662 38.000 0.092 0.000 1.096 465 I HN 0.144 nan 8.210 nan 0.000 0.443 466 N N 1.214 119.945 118.700 0.051 0.000 2.338 466 N HA 0.033 4.805 4.740 0.053 0.000 0.251 466 N C -0.073 175.546 175.510 0.181 0.000 1.199 466 N CA -0.023 53.098 53.050 0.118 0.000 0.879 466 N CB -0.109 38.463 38.487 0.141 0.000 1.159 466 N HN 0.196 nan 8.380 nan 0.000 0.514 467 D N 0.672 121.129 120.400 0.095 0.000 2.751 467 D HA -0.267 4.405 4.640 0.053 0.000 0.233 467 D C -0.024 176.169 176.300 -0.179 0.000 1.149 467 D CA 1.060 55.079 54.000 0.032 0.000 0.682 467 D CB -1.292 39.609 40.800 0.167 0.000 1.068 467 D HN 0.478 nan 8.370 nan 0.000 0.429 468 N N -1.807 116.821 118.700 -0.119 0.000 2.828 468 N HA -0.247 4.525 4.740 0.053 0.000 0.248 468 N C -0.776 174.676 175.510 -0.098 0.000 1.044 468 N CA 1.389 54.343 53.050 -0.160 0.000 0.851 468 N CB -1.348 36.995 38.487 -0.241 0.000 1.136 468 N HN 0.530 nan 8.380 nan 0.000 0.572 469 W N 1.262 122.616 121.300 0.091 0.000 2.251 469 W HA 0.408 5.099 4.660 0.052 0.000 0.329 469 W C -1.610 174.939 176.519 0.050 0.000 1.234 469 W CA -1.559 55.815 57.345 0.048 0.000 1.228 469 W CB 0.473 29.912 29.460 -0.034 0.000 1.135 469 W HN -0.018 nan 8.180 nan 0.000 0.576 470 P HA 0.157 nan 4.420 nan 0.000 0.271 470 P C -0.671 176.754 177.300 0.208 0.000 1.218 470 P CA -0.024 63.195 63.100 0.197 0.000 0.780 470 P CB 0.931 32.592 31.700 -0.065 0.000 0.901 471 R N 1.307 121.920 120.500 0.189 0.000 2.668 471 R HA 0.319 4.691 4.340 0.053 0.000 0.279 471 R C 0.381 176.715 176.300 0.055 0.000 0.976 471 R CA -0.832 55.252 56.100 -0.027 0.000 0.978 471 R CB 1.116 31.171 30.300 -0.408 0.000 1.133 471 R HN 0.487 nan 8.270 nan 0.000 0.484 472 E N 0.642 120.864 120.200 0.036 0.000 2.438 472 E HA 0.019 4.401 4.350 0.053 0.000 0.261 472 E C -0.545 176.079 176.600 0.040 0.000 1.103 472 E CA 0.684 57.116 56.400 0.053 0.000 0.959 472 E CB 0.611 30.334 29.700 0.037 0.000 0.958 472 E HN 0.362 nan 8.360 nan 0.000 0.447 473 T N 3.348 117.937 114.554 0.059 0.000 2.840 473 T HA 0.331 4.713 4.350 0.053 0.000 0.287 473 T C -2.432 172.293 174.700 0.043 0.000 0.991 473 T CA -1.546 60.587 62.100 0.054 0.000 0.964 473 T CB 1.468 70.381 68.868 0.074 0.000 0.954 473 T HN 0.231 nan 8.240 nan 0.000 0.438 474 P HA 0.185 nan 4.420 nan 0.000 0.268 474 P C -2.358 174.948 177.300 0.010 0.000 1.208 474 P CA -1.041 62.067 63.100 0.014 0.000 0.777 474 P CB -0.223 31.480 31.700 0.006 0.000 0.875 475 P HA 0.256 nan 4.420 nan 0.000 0.272 475 P C -0.096 177.191 177.300 -0.022 0.000 1.223 475 P CA 0.338 63.422 63.100 -0.027 0.000 0.784 475 P CB 0.817 32.478 31.700 -0.065 0.000 0.923 476 G N 1.175 109.960 108.800 -0.024 0.000 2.488 476 G HA2 0.386 4.378 3.960 0.053 0.000 0.301 476 G HA3 0.386 4.378 3.960 0.053 0.000 0.301 476 G C -2.573 172.315 174.900 -0.020 0.000 1.339 476 G CA -0.699 44.391 45.100 -0.018 0.000 0.803 476 G HN 0.183 nan 8.290 nan 0.000 0.482 477 P HA 0.112 nan 4.420 nan 0.000 0.229 477 P C 0.173 177.469 177.300 -0.008 0.000 1.160 477 P CA 1.054 64.144 63.100 -0.016 0.000 0.777 477 P CB 0.458 32.151 31.700 -0.012 0.000 0.814 478 K N -0.863 119.540 120.400 0.004 0.000 2.572 478 K HA 0.291 4.643 4.320 0.053 0.000 0.263 478 K C -0.306 176.311 176.600 0.028 0.000 0.932 478 K CA -0.695 55.602 56.287 0.017 0.000 0.838 478 K CB 1.144 33.655 32.500 0.018 0.000 1.366 478 K HN -0.402 nan 8.250 nan 0.000 0.425 479 R N -0.058 120.467 120.500 0.041 0.000 3.758 479 R HA -0.144 4.228 4.340 0.053 0.000 0.299 479 R C -0.174 176.157 176.300 0.051 0.000 1.182 479 R CA 1.114 57.245 56.100 0.052 0.000 0.809 479 R CB -2.324 28.006 30.300 0.051 0.000 1.249 479 R HN 0.835 nan 8.270 nan 0.000 0.497 480 G N -0.915 107.910 108.800 0.042 0.000 2.491 480 G HA2 0.635 4.627 3.960 0.053 0.000 0.327 480 G HA3 0.635 4.627 3.960 0.053 0.000 0.327 480 G C 0.357 175.291 174.900 0.057 0.000 1.189 480 G CA 0.064 45.187 45.100 0.037 0.000 0.956 480 G HN 0.256 nan 8.290 nan 0.000 0.491 481 G N -1.253 107.583 108.800 0.059 0.000 2.606 481 G HA2 0.414 4.406 3.960 0.053 0.000 0.252 481 G HA3 0.414 4.406 3.960 0.053 0.000 0.252 481 G C -0.746 174.210 174.900 0.094 0.000 1.206 481 G CA -0.543 44.616 45.100 0.098 0.000 0.861 481 G HN 0.469 nan 8.290 nan 0.000 0.561 482 F N 0.266 120.231 119.950 0.026 0.000 2.427 482 F HA 0.445 5.007 4.527 0.059 0.000 0.352 482 F C 0.443 176.258 175.800 0.024 0.000 1.100 482 F CA -0.419 57.591 58.000 0.017 0.000 1.191 482 F CB 1.043 40.056 39.000 0.022 0.000 1.128 482 F HN 0.447 nan 8.300 nan 0.000 0.533 483 E N 4.102 123.949 120.200 -0.589 0.000 2.256 483 E HA 0.315 4.697 4.350 0.053 0.000 0.268 483 E C -1.177 175.109 176.600 -0.524 0.000 0.877 483 E CA -0.795 55.417 56.400 -0.314 0.000 0.757 483 E CB 1.563 31.158 29.700 -0.176 0.000 1.183 483 E HN 0.629 nan 8.360 nan 0.000 0.418 484 S N 2.693 118.319 115.700 -0.124 0.000 2.562 484 S HA -0.020 4.482 4.470 0.053 0.000 0.281 484 S C -0.482 174.105 174.600 -0.023 0.000 1.333 484 S CA -0.292 57.911 58.200 0.005 0.000 1.052 484 S CB 0.072 63.398 63.200 0.209 0.000 0.884 484 S HN 0.471 nan 8.310 nan 0.000 0.506 485 Y N 2.655 122.888 120.300 -0.112 0.000 2.717 485 Y HA -0.049 4.532 4.550 0.052 0.000 0.330 485 Y C 0.960 176.841 175.900 -0.031 0.000 1.217 485 Y CA 0.266 58.314 58.100 -0.088 0.000 1.506 485 Y CB 0.182 38.588 38.460 -0.091 0.000 1.268 485 Y HN 0.596 nan 8.280 nan 0.000 0.561 486 Q N 5.092 124.489 119.800 -0.672 0.000 3.170 486 Q HA 0.026 4.398 4.340 0.053 0.000 0.346 486 Q C -0.191 175.519 176.000 -0.484 0.000 1.333 486 Q CA -0.096 55.446 55.803 -0.435 0.000 0.958 486 Q CB -0.166 28.383 28.738 -0.315 0.000 1.600 486 Q HN 0.654 nan 8.270 nan 0.000 0.482 487 E N 1.376 121.354 120.200 -0.369 0.000 2.452 487 E HA -0.040 4.342 4.350 0.053 0.000 0.261 487 E C -0.210 176.359 176.600 -0.053 0.000 0.987 487 E CA -0.272 56.052 56.400 -0.126 0.000 0.926 487 E CB 0.621 30.389 29.700 0.114 0.000 0.934 487 E HN 0.106 nan 8.360 nan 0.000 0.452 488 R N 3.117 123.611 120.500 -0.011 0.000 2.298 488 R HA 0.221 4.593 4.340 0.053 0.000 0.310 488 R C -1.478 174.843 176.300 0.036 0.000 1.068 488 R CA -0.269 55.833 56.100 0.004 0.000 0.957 488 R CB 0.877 31.186 30.300 0.015 0.000 1.003 488 R HN 0.280 nan 8.270 nan 0.000 0.454 489 V N 4.883 124.812 119.914 0.025 0.000 2.417 489 V HA 0.426 4.578 4.120 0.053 0.000 0.291 489 V C -0.398 175.709 176.094 0.022 0.000 1.024 489 V CA -0.556 61.764 62.300 0.032 0.000 0.861 489 V CB 1.573 33.413 31.823 0.028 0.000 0.985 489 V HN 0.808 nan 8.190 nan 0.000 0.436 490 E N 2.715 122.930 120.200 0.024 0.000 2.281 490 E HA 0.688 5.070 4.350 0.053 0.000 0.266 490 E C -0.147 176.459 176.600 0.010 0.000 0.893 490 E CA -0.361 56.047 56.400 0.014 0.000 0.798 490 E CB 2.259 31.967 29.700 0.014 0.000 1.245 490 E HN 0.987 nan 8.360 nan 0.000 0.410 491 G N 2.407 111.209 108.800 0.002 0.000 2.316 491 G HA2 0.135 4.127 3.960 0.053 0.000 0.296 491 G HA3 0.135 4.127 3.960 0.053 0.000 0.296 491 G C -1.456 173.438 174.900 -0.009 0.000 1.399 491 G CA -1.030 44.067 45.100 -0.004 0.000 0.833 491 G HN 0.355 nan 8.290 nan 0.000 0.565 492 N N 0.063 118.754 118.700 -0.014 0.000 2.476 492 N HA 0.425 5.197 4.740 0.053 0.000 0.275 492 N C -0.160 175.337 175.510 -0.021 0.000 1.190 492 N CA -0.487 52.553 53.050 -0.016 0.000 0.977 492 N CB 0.909 39.386 38.487 -0.017 0.000 1.200 492 N HN 0.422 nan 8.380 nan 0.000 0.515 493 K N 1.050 121.437 120.400 -0.021 0.000 2.351 493 K HA 0.168 4.520 4.320 0.053 0.000 0.287 493 K C -0.722 175.858 176.600 -0.034 0.000 1.068 493 K CA -0.116 56.154 56.287 -0.027 0.000 0.998 493 K CB -0.346 32.139 32.500 -0.024 0.000 0.968 493 K HN 0.375 nan 8.250 nan 0.000 0.464 494 V N 0.318 120.207 119.914 -0.042 0.000 2.925 494 V HA 0.470 4.622 4.120 0.053 0.000 0.311 494 V C -0.531 175.524 176.094 -0.064 0.000 1.104 494 V CA -1.325 60.945 62.300 -0.049 0.000 0.954 494 V CB 2.029 33.824 31.823 -0.046 0.000 1.022 494 V HN 0.604 nan 8.190 nan 0.000 0.427 495 R N 2.570 123.027 120.500 -0.071 0.000 2.522 495 R HA 0.575 4.947 4.340 0.053 0.000 0.290 495 R C -0.461 175.792 176.300 -0.079 0.000 1.216 495 R CA -0.122 55.923 56.100 -0.091 0.000 1.250 495 R CB 0.708 30.941 30.300 -0.112 0.000 1.143 495 R HN 0.943 nan 8.270 nan 0.000 0.553 496 E N 2.167 122.317 120.200 -0.083 0.000 2.304 496 E HA 0.213 4.595 4.350 0.053 0.000 0.277 496 E C -1.290 175.245 176.600 -0.108 0.000 0.898 496 E CA -0.999 55.355 56.400 -0.077 0.000 0.764 496 E CB 1.576 31.238 29.700 -0.065 0.000 1.216 496 E HN 0.141 nan 8.360 nan 0.000 0.419 497 R N 1.931 122.372 120.500 -0.098 0.000 2.438 497 R HA 0.222 4.594 4.340 0.053 0.000 0.287 497 R C -0.512 175.673 176.300 -0.191 0.000 1.077 497 R CA 0.049 56.053 56.100 -0.159 0.000 1.034 497 R CB 1.226 31.494 30.300 -0.053 0.000 0.993 497 R HN 0.406 nan 8.270 nan 0.000 0.459 498 S N 4.894 120.367 115.700 -0.379 0.000 2.537 498 S HA 0.095 4.597 4.470 0.053 0.000 0.286 498 S C -1.545 173.026 174.600 -0.049 0.000 1.299 498 S CA -1.198 56.860 58.200 -0.237 0.000 1.067 498 S CB 0.678 63.675 63.200 -0.340 0.000 0.864 498 S HN 0.549 nan 8.310 nan 0.000 0.494 499 P HA -0.131 nan 4.420 nan 0.000 0.216 499 P C 1.643 178.995 177.300 0.088 0.000 1.150 499 P CA 1.427 64.548 63.100 0.036 0.000 0.843 499 P CB -0.093 31.619 31.700 0.020 0.000 0.787 500 S N -1.963 113.825 115.700 0.146 0.000 2.465 500 S HA -0.151 4.351 4.470 0.053 0.000 0.241 500 S C 1.475 176.248 174.600 0.289 0.000 1.000 500 S CA 1.001 59.325 58.200 0.206 0.000 0.964 500 S CB -1.458 61.897 63.200 0.258 0.000 0.763 500 S HN -0.017 nan 8.310 nan 0.000 0.512 501 F N 2.120 122.065 119.950 -0.008 0.000 2.797 501 F HA 0.383 4.940 4.527 0.050 0.000 0.302 501 F C 2.056 177.797 175.800 -0.098 0.000 1.130 501 F CA -0.677 57.316 58.000 -0.013 0.000 1.387 501 F CB -0.610 38.414 39.000 0.041 0.000 1.107 501 F HN 0.373 nan 8.300 nan 0.000 0.577 502 G N -0.085 108.712 108.800 -0.005 0.000 3.424 502 G HA2 0.027 4.019 3.960 0.053 0.000 0.263 502 G HA3 0.027 4.019 3.960 0.053 0.000 0.263 502 G C 0.114 174.553 174.900 -0.768 0.000 1.310 502 G CA 0.083 45.009 45.100 -0.290 0.000 1.089 502 G HN 0.056 nan 8.290 nan 0.000 0.534 503 E N 0.022 119.763 120.200 -0.765 0.000 2.224 503 E HA 0.367 4.749 4.350 0.053 0.000 0.265 503 E C -0.789 175.408 176.600 -0.673 0.000 0.878 503 E CA -0.787 55.208 56.400 -0.674 0.000 0.759 503 E CB 1.534 31.084 29.700 -0.248 0.000 1.164 503 E HN 0.194 nan 8.360 nan 0.000 0.414 504 Y N 2.674 122.760 120.300 -0.356 0.000 2.471 504 Y HA 0.192 4.774 4.550 0.054 0.000 0.249 504 Y C 0.630 176.257 175.900 -0.454 0.000 1.116 504 Y CA -0.140 57.650 58.100 -0.516 0.000 1.240 504 Y CB 0.395 38.382 38.460 -0.788 0.000 1.251 504 Y HN 0.437 nan 8.280 nan 0.000 0.527 505 Y N -1.499 118.879 120.300 0.130 0.000 2.467 505 Y HA 0.088 4.671 4.550 0.055 0.000 0.259 505 Y C 2.409 178.368 175.900 0.098 0.000 1.084 505 Y CA 0.161 58.335 58.100 0.124 0.000 1.275 505 Y CB -0.358 38.180 38.460 0.130 0.000 1.208 505 Y HN 0.034 nan 8.280 nan 0.000 0.511 506 S N -0.404 115.429 115.700 0.222 0.000 2.368 506 S HA -0.219 4.283 4.470 0.053 0.000 0.225 506 S C 1.468 176.149 174.600 0.136 0.000 1.030 506 S CA 1.825 60.137 58.200 0.186 0.000 0.999 506 S CB -0.603 62.711 63.200 0.189 0.000 0.844 506 S HN 0.437 nan 8.310 nan 0.000 0.459 507 H N 2.820 121.805 119.070 -0.141 0.000 2.357 507 H HA 0.185 4.774 4.556 0.054 0.000 0.301 507 H C -0.557 174.600 175.328 -0.285 0.000 1.082 507 H CA 1.232 57.049 56.048 -0.385 0.000 1.342 507 H CB -1.841 27.426 29.762 -0.825 0.000 1.389 507 H HN 0.387 nan 8.280 nan 0.000 0.511 508 P HA -0.172 nan 4.420 nan 0.000 0.216 508 P C 1.523 179.016 177.300 0.321 0.000 1.153 508 P CA 1.742 65.009 63.100 0.278 0.000 0.858 508 P CB 0.089 31.965 31.700 0.293 0.000 0.789 509 R N -0.432 120.203 120.500 0.225 0.000 2.075 509 R HA -0.112 4.260 4.340 0.053 0.000 0.232 509 R C 2.143 178.577 176.300 0.224 0.000 1.126 509 R CA 1.089 57.326 56.100 0.228 0.000 0.963 509 R CB -1.061 29.334 30.300 0.158 0.000 0.858 509 R HN 0.062 nan 8.270 nan 0.000 0.435 510 L N 0.561 121.858 121.223 0.124 0.000 2.042 510 L HA -0.145 4.227 4.340 0.053 0.000 0.210 510 L C 2.009 178.935 176.870 0.094 0.000 1.076 510 L CA 1.761 56.633 54.840 0.054 0.000 0.749 510 L CB -0.744 41.272 42.059 -0.072 0.000 0.893 510 L HN 0.246 nan 8.230 nan 0.000 0.432 511 F N -0.663 119.324 119.950 0.062 0.000 2.102 511 F HA -0.283 4.278 4.527 0.056 0.000 0.298 511 F C 2.329 178.142 175.800 0.022 0.000 1.105 511 F CA 2.226 60.247 58.000 0.034 0.000 1.239 511 F CB -0.707 38.360 39.000 0.112 0.000 0.991 511 F HN 0.402 nan 8.300 nan 0.000 0.474 512 W N 1.374 122.654 121.300 -0.033 0.000 2.335 512 W HA -0.236 4.456 4.660 0.053 0.000 0.311 512 W C 1.700 178.096 176.519 -0.204 0.000 1.213 512 W CA 1.694 58.972 57.345 -0.113 0.000 1.274 512 W CB -0.723 28.770 29.460 0.054 0.000 1.148 512 W HN 0.093 nan 8.180 nan 0.000 0.498 513 L N 1.112 122.271 121.223 -0.107 0.000 2.362 513 L HA -0.145 4.227 4.340 0.053 0.000 0.219 513 L C 2.291 178.977 176.870 -0.305 0.000 1.134 513 L CA 1.021 55.732 54.840 -0.216 0.000 0.807 513 L CB -0.579 41.474 42.059 -0.011 0.000 0.927 513 L HN -0.122 nan 8.230 nan 0.000 0.447 514 S N -1.528 113.965 115.700 -0.345 0.000 2.548 514 S HA 0.058 4.560 4.470 0.053 0.000 0.215 514 S C 0.686 175.005 174.600 -0.469 0.000 0.976 514 S CA -0.001 57.993 58.200 -0.342 0.000 0.908 514 S CB 0.094 63.121 63.200 -0.289 0.000 0.781 514 S HN 0.286 nan 8.310 nan 0.000 0.519 515 Q N 2.376 121.796 119.800 -0.634 0.000 2.299 515 Q HA 0.257 4.629 4.340 0.053 0.000 0.246 515 Q C 0.632 176.248 176.000 -0.641 0.000 0.935 515 Q CA -0.078 55.316 55.803 -0.681 0.000 0.887 515 Q CB 0.425 28.693 28.738 -0.783 0.000 1.223 515 Q HN 0.438 nan 8.270 nan 0.000 0.439 516 T N -1.249 112.887 114.554 -0.697 0.000 2.795 516 T HA 0.095 4.477 4.350 0.053 0.000 0.314 516 T C -1.701 172.529 174.700 -0.783 0.000 1.069 516 T CA -1.119 60.506 62.100 -0.791 0.000 1.071 516 T CB 0.266 68.390 68.868 -1.240 0.000 0.988 516 T HN 0.241 nan 8.240 nan 0.000 0.543 517 P HA -0.010 nan 4.420 nan 0.000 0.217 517 P C 1.420 178.509 177.300 -0.353 0.000 1.150 517 P CA 1.059 63.931 63.100 -0.381 0.000 0.832 517 P CB -0.243 31.349 31.700 -0.180 0.000 0.787 518 F N 0.064 119.817 119.950 -0.329 0.000 2.186 518 F HA -0.020 4.539 4.527 0.053 0.000 0.299 518 F C 1.809 177.242 175.800 -0.612 0.000 1.090 518 F CA 0.964 58.696 58.000 -0.447 0.000 1.307 518 F CB -1.621 37.102 39.000 -0.463 0.000 1.019 518 F HN -0.095 nan 8.300 nan 0.000 0.489 519 E N 0.647 120.312 120.200 -0.893 0.000 2.077 519 E HA -0.229 4.153 4.350 0.053 0.000 0.193 519 E C 2.216 178.622 176.600 -0.323 0.000 0.989 519 E CA 1.564 57.658 56.400 -0.511 0.000 0.800 519 E CB -0.349 29.014 29.700 -0.562 0.000 0.746 519 E HN 0.635 nan 8.360 nan 0.000 0.452 520 Q N 0.429 119.947 119.800 -0.470 0.000 2.061 520 Q HA -0.222 4.150 4.340 0.053 0.000 0.204 520 Q C 2.292 178.313 176.000 0.035 0.000 0.984 520 Q CA 1.466 57.027 55.803 -0.404 0.000 0.846 520 Q CB -0.240 27.971 28.738 -0.878 0.000 0.902 520 Q HN 0.143 nan 8.270 nan 0.000 0.421 521 R N 0.139 120.637 120.500 -0.003 0.000 2.091 521 R HA -0.187 4.185 4.340 0.053 0.000 0.238 521 R C 1.828 178.305 176.300 0.295 0.000 1.136 521 R CA 1.784 57.974 56.100 0.150 0.000 0.959 521 R CB -0.163 30.202 30.300 0.110 0.000 0.856 521 R HN 0.490 nan 8.270 nan 0.000 0.437 522 H N -0.589 118.572 119.070 0.152 0.000 2.423 522 H HA -0.044 4.544 4.556 0.053 0.000 0.297 522 H C 2.171 177.608 175.328 0.183 0.000 1.075 522 H CA 1.174 57.325 56.048 0.171 0.000 1.342 522 H CB 0.059 29.929 29.762 0.180 0.000 1.395 522 H HN 0.226 nan 8.280 nan 0.000 0.530 523 I N 0.265 121.047 120.570 0.354 0.000 2.179 523 I HA -0.255 3.947 4.170 0.053 0.000 0.242 523 I C 2.298 178.693 176.117 0.463 0.000 1.088 523 I CA 0.793 62.331 61.300 0.397 0.000 1.357 523 I CB -0.139 38.195 38.000 0.557 0.000 1.051 523 I HN 0.086 nan 8.210 nan 0.000 0.409 524 V N 0.835 121.020 119.914 0.452 0.000 2.332 524 V HA -0.311 3.841 4.120 0.053 0.000 0.248 524 V C 2.027 178.291 176.094 0.285 0.000 1.055 524 V CA 2.066 64.582 62.300 0.360 0.000 1.038 524 V CB -0.649 31.347 31.823 0.288 0.000 0.651 524 V HN 0.414 nan 8.190 nan 0.000 0.450 525 D N 0.328 120.880 120.400 0.253 0.000 2.178 525 D HA -0.086 4.586 4.640 0.053 0.000 0.202 525 D C 2.148 178.520 176.300 0.120 0.000 0.974 525 D CA 1.499 55.614 54.000 0.190 0.000 0.841 525 D CB -0.489 40.426 40.800 0.192 0.000 0.953 525 D HN 0.482 nan 8.370 nan 0.000 0.478 526 G N 0.042 108.892 108.800 0.084 0.000 2.414 526 G HA2 -0.223 3.769 3.960 0.053 0.000 0.215 526 G HA3 -0.223 3.769 3.960 0.053 0.000 0.215 526 G C 1.438 176.329 174.900 -0.015 0.000 1.188 526 G CA 0.091 45.146 45.100 -0.075 0.000 0.783 526 G HN 0.158 nan 8.290 nan 0.000 0.537 527 F N 1.910 121.895 119.950 0.059 0.000 2.120 527 F HA -0.115 4.444 4.527 0.054 0.000 0.300 527 F C 3.156 178.870 175.800 -0.144 0.000 1.095 527 F CA 1.637 59.602 58.000 -0.059 0.000 1.249 527 F CB -0.350 38.623 39.000 -0.047 0.000 0.995 527 F HN 0.084 nan 8.300 nan 0.000 0.480 528 S N -0.251 115.539 115.700 0.150 0.000 2.355 528 S HA -0.203 4.299 4.470 0.053 0.000 0.222 528 S C 1.877 176.498 174.600 0.035 0.000 1.031 528 S CA 1.252 59.491 58.200 0.065 0.000 0.993 528 S CB -0.763 62.500 63.200 0.104 0.000 0.859 528 S HN 0.399 nan 8.310 nan 0.000 0.453 529 F N 2.583 122.492 119.950 -0.068 0.000 2.102 529 F HA -0.100 4.459 4.527 0.052 0.000 0.298 529 F C 2.348 178.088 175.800 -0.100 0.000 1.105 529 F CA 1.449 59.400 58.000 -0.082 0.000 1.239 529 F CB -0.242 38.653 39.000 -0.175 0.000 0.991 529 F HN 0.136 nan 8.300 nan 0.000 0.474 530 E N 0.540 120.744 120.200 0.007 0.000 2.051 530 E HA -0.209 4.173 4.350 0.053 0.000 0.192 530 E C 2.358 178.779 176.600 -0.299 0.000 0.991 530 E CA 1.615 57.984 56.400 -0.051 0.000 0.799 530 E CB -0.520 29.277 29.700 0.163 0.000 0.748 530 E HN 0.476 nan 8.360 nan 0.000 0.449 531 L N 1.346 122.309 121.223 -0.434 0.000 2.201 531 L HA -0.120 4.252 4.340 0.053 0.000 0.212 531 L C 2.711 179.417 176.870 -0.274 0.000 1.105 531 L CA 1.053 55.606 54.840 -0.478 0.000 0.775 531 L CB -0.424 41.365 42.059 -0.450 0.000 0.913 531 L HN 0.135 nan 8.230 nan 0.000 0.440 532 S N -0.605 114.949 115.700 -0.244 0.000 2.469 532 S HA -0.121 4.381 4.470 0.053 0.000 0.238 532 S C 1.752 176.236 174.600 -0.193 0.000 0.998 532 S CA 0.717 58.798 58.200 -0.198 0.000 0.957 532 S CB -0.113 62.963 63.200 -0.207 0.000 0.764 532 S HN 0.273 nan 8.310 nan 0.000 0.514 533 K N 1.090 121.355 120.400 -0.225 0.000 2.404 533 K HA 0.351 4.703 4.320 0.053 0.000 0.194 533 K C -0.113 176.483 176.600 -0.006 0.000 1.023 533 K CA -0.020 56.195 56.287 -0.120 0.000 1.094 533 K CB 0.179 32.599 32.500 -0.133 0.000 0.841 533 K HN 0.317 nan 8.250 nan 0.000 0.523 534 V N 2.058 121.948 119.914 -0.040 0.000 2.432 534 V HA 0.015 4.167 4.120 0.053 0.000 0.271 534 V C 1.699 177.778 176.094 -0.026 0.000 1.046 534 V CA -0.096 62.205 62.300 0.002 0.000 0.945 534 V CB 1.471 33.261 31.823 -0.055 0.000 0.992 534 V HN -0.130 nan 8.190 nan 0.000 0.471 535 V N 5.101 125.020 119.914 0.009 0.000 2.453 535 V HA -0.023 4.129 4.120 0.053 0.000 0.247 535 V C 1.334 177.411 176.094 -0.029 0.000 1.048 535 V CA 1.258 63.560 62.300 0.002 0.000 1.049 535 V CB -0.426 31.415 31.823 0.030 0.000 0.672 535 V HN 0.732 nan 8.190 nan 0.000 0.457 536 R N 0.797 121.253 120.500 -0.074 0.000 2.220 536 R HA 0.193 4.565 4.340 0.053 0.000 0.340 536 R C -1.770 174.407 176.300 -0.205 0.000 1.076 536 R CA -1.433 54.593 56.100 -0.124 0.000 0.920 536 R CB 0.894 31.045 30.300 -0.249 0.000 1.062 536 R HN 0.250 nan 8.270 nan 0.000 0.469 537 P HA -0.154 nan 4.420 nan 0.000 0.221 537 P C 0.658 177.924 177.300 -0.057 0.000 1.150 537 P CA 0.876 63.942 63.100 -0.057 0.000 0.800 537 P CB 0.022 31.727 31.700 0.008 0.000 0.787 538 Y N -0.949 119.351 120.300 -0.001 0.000 2.256 538 Y HA -0.147 4.435 4.550 0.053 0.000 0.288 538 Y C 1.929 177.835 175.900 0.009 0.000 1.155 538 Y CA 0.834 58.935 58.100 0.001 0.000 1.203 538 Y CB -1.848 36.614 38.460 0.002 0.000 0.980 538 Y HN -0.130 nan 8.280 nan 0.000 0.530 539 I N 1.071 121.210 120.570 -0.718 0.000 2.179 539 I HA -0.295 3.908 4.170 0.053 0.000 0.242 539 I C 2.586 178.617 176.117 -0.142 0.000 1.088 539 I CA 1.663 62.728 61.300 -0.392 0.000 1.357 539 I CB -0.442 37.316 38.000 -0.404 0.000 1.051 539 I HN 0.231 nan 8.210 nan 0.000 0.409 540 R N 0.876 121.280 120.500 -0.160 0.000 2.083 540 R HA -0.214 4.158 4.340 0.053 0.000 0.237 540 R C 2.123 178.373 176.300 -0.082 0.000 1.137 540 R CA 1.683 57.701 56.100 -0.136 0.000 0.951 540 R CB -0.579 29.638 30.300 -0.139 0.000 0.851 540 R HN 0.472 nan 8.270 nan 0.000 0.434 541 E N 0.558 120.733 120.200 -0.041 0.000 2.085 541 E HA -0.171 4.211 4.350 0.053 0.000 0.194 541 E C 2.186 178.794 176.600 0.013 0.000 0.994 541 E CA 1.145 57.543 56.400 -0.004 0.000 0.801 541 E CB -0.047 29.675 29.700 0.037 0.000 0.743 541 E HN 0.290 nan 8.360 nan 0.000 0.453 542 R N 0.220 120.744 120.500 0.040 0.000 2.092 542 R HA -0.090 4.282 4.340 0.053 0.000 0.231 542 R C 2.383 178.711 176.300 0.047 0.000 1.119 542 R CA 0.916 57.053 56.100 0.060 0.000 0.970 542 R CB -0.177 30.180 30.300 0.095 0.000 0.864 542 R HN 0.058 nan 8.270 nan 0.000 0.440 543 V N 0.253 120.188 119.914 0.035 0.000 2.307 543 V HA -0.201 3.951 4.120 0.053 0.000 0.245 543 V C 2.287 178.362 176.094 -0.032 0.000 1.045 543 V CA 1.487 63.817 62.300 0.050 0.000 1.024 543 V CB -0.274 31.587 31.823 0.063 0.000 0.651 543 V HN 0.115 nan 8.190 nan 0.000 0.449 544 V N 0.475 120.345 119.914 -0.074 0.000 2.332 544 V HA -0.342 3.810 4.120 0.053 0.000 0.248 544 V C 2.314 178.368 176.094 -0.065 0.000 1.055 544 V CA 2.539 64.774 62.300 -0.108 0.000 1.038 544 V CB -0.730 31.035 31.823 -0.096 0.000 0.651 544 V HN 0.651 nan 8.190 nan 0.000 0.450 545 D N -0.523 119.872 120.400 -0.009 0.000 2.133 545 D HA -0.242 4.430 4.640 0.053 0.000 0.195 545 D C 2.282 178.661 176.300 0.131 0.000 0.997 545 D CA 1.687 55.716 54.000 0.049 0.000 0.840 545 D CB -0.085 40.763 40.800 0.081 0.000 0.947 545 D HN 0.538 nan 8.370 nan 0.000 0.452 546 Q N -0.560 119.291 119.800 0.085 0.000 2.124 546 Q HA -0.100 4.272 4.340 0.053 0.000 0.202 546 Q C 2.462 178.491 176.000 0.047 0.000 0.977 546 Q CA 0.820 56.685 55.803 0.102 0.000 0.850 546 Q CB -0.068 28.743 28.738 0.122 0.000 0.901 546 Q HN 0.412 nan 8.270 nan 0.000 0.429 547 L N 0.061 121.241 121.223 -0.071 0.000 2.131 547 L HA -0.149 4.223 4.340 0.053 0.000 0.210 547 L C 2.428 179.181 176.870 -0.194 0.000 1.092 547 L CA 0.807 55.527 54.840 -0.201 0.000 0.759 547 L CB -0.603 41.233 42.059 -0.372 0.000 0.903 547 L HN 0.207 nan 8.230 nan 0.000 0.435 548 A N -0.680 122.047 122.820 -0.154 0.000 2.070 548 A HA -0.209 4.143 4.320 0.053 0.000 0.220 548 A C 1.770 179.175 177.584 -0.298 0.000 1.159 548 A CA 1.332 53.243 52.037 -0.210 0.000 0.656 548 A CB -0.728 18.152 19.000 -0.199 0.000 0.800 548 A HN 0.453 nan 8.150 nan 0.000 0.453 549 H N -1.223 117.642 119.070 -0.342 0.000 2.548 549 H HA 0.242 4.830 4.556 0.054 0.000 0.268 549 H C 1.586 176.627 175.328 -0.478 0.000 0.975 549 H CA 1.073 56.776 56.048 -0.575 0.000 1.195 549 H CB 0.059 29.076 29.762 -1.241 0.000 1.397 549 H HN 0.510 nan 8.280 nan 0.000 0.572 550 I N -1.176 119.288 120.570 -0.175 0.000 2.685 550 I HA 0.076 4.278 4.170 0.053 0.000 0.251 550 I C -0.173 175.866 176.117 -0.130 0.000 1.102 550 I CA 0.461 61.721 61.300 -0.067 0.000 1.442 550 I CB 0.678 38.665 38.000 -0.022 0.000 1.194 550 I HN 0.090 nan 8.210 nan 0.000 0.448 551 D N -0.301 119.956 120.400 -0.240 0.000 2.726 551 D HA 0.133 4.805 4.640 0.053 0.000 0.203 551 D C 0.263 176.403 176.300 -0.266 0.000 1.297 551 D CA -0.320 53.525 54.000 -0.259 0.000 0.863 551 D CB 1.277 41.787 40.800 -0.485 0.000 1.669 551 D HN -0.046 nan 8.370 nan 0.000 0.561 552 L N 2.963 124.088 121.223 -0.164 0.000 2.083 552 L HA -0.096 4.276 4.340 0.053 0.000 0.209 552 L C 1.263 178.059 176.870 -0.124 0.000 1.083 552 L CA 1.932 56.688 54.840 -0.140 0.000 0.752 552 L CB -0.481 41.524 42.059 -0.089 0.000 0.899 552 L HN 0.572 nan 8.230 nan 0.000 0.433 553 T N 0.726 115.233 114.554 -0.078 0.000 2.708 553 T HA -0.204 4.178 4.350 0.053 0.000 0.266 553 T C 1.823 176.477 174.700 -0.078 0.000 1.037 553 T CA 1.537 63.635 62.100 -0.004 0.000 1.146 553 T CB -0.353 68.600 68.868 0.142 0.000 0.865 553 T HN 0.291 nan 8.240 nan 0.000 0.435 554 L N 1.789 122.814 121.223 -0.330 0.000 2.012 554 L HA -0.007 4.365 4.340 0.053 0.000 0.210 554 L C 2.589 179.245 176.870 -0.357 0.000 1.073 554 L CA 2.147 56.632 54.840 -0.592 0.000 0.748 554 L CB -1.222 40.060 42.059 -1.295 0.000 0.891 554 L HN 0.221 nan 8.230 nan 0.000 0.431 555 A N -1.145 121.478 122.820 -0.330 0.000 1.902 555 A HA -0.255 4.097 4.320 0.053 0.000 0.217 555 A C 2.222 179.711 177.584 -0.159 0.000 1.181 555 A CA 1.861 53.749 52.037 -0.248 0.000 0.623 555 A CB -0.654 18.215 19.000 -0.218 0.000 0.818 555 A HN 0.693 nan 8.150 nan 0.000 0.443 556 Q N -0.875 118.855 119.800 -0.117 0.000 2.124 556 Q HA -0.104 4.268 4.340 0.053 0.000 0.202 556 Q C 2.409 178.384 176.000 -0.042 0.000 0.977 556 Q CA 1.311 57.074 55.803 -0.067 0.000 0.850 556 Q CB -0.327 28.385 28.738 -0.042 0.000 0.901 556 Q HN 0.702 nan 8.270 nan 0.000 0.429 557 A N 0.094 122.895 122.820 -0.032 0.000 1.897 557 A HA -0.093 4.259 4.320 0.053 0.000 0.215 557 A C 2.275 179.862 177.584 0.004 0.000 1.181 557 A CA 1.006 53.052 52.037 0.015 0.000 0.620 557 A CB -0.459 18.583 19.000 0.071 0.000 0.821 557 A HN 0.192 nan 8.150 nan 0.000 0.443 558 V N -0.069 119.819 119.914 -0.043 0.000 2.307 558 V HA -0.208 3.944 4.120 0.053 0.000 0.245 558 V C 3.062 179.125 176.094 -0.053 0.000 1.045 558 V CA 1.799 64.070 62.300 -0.047 0.000 1.024 558 V CB -1.206 30.536 31.823 -0.135 0.000 0.651 558 V HN 0.592 nan 8.190 nan 0.000 0.449 559 A N -0.167 122.610 122.820 -0.071 0.000 1.908 559 A HA -0.313 4.039 4.320 0.053 0.000 0.218 559 A C 2.299 179.864 177.584 -0.032 0.000 1.181 559 A CA 2.402 54.404 52.037 -0.058 0.000 0.627 559 A CB -0.534 18.428 19.000 -0.062 0.000 0.818 559 A HN 0.524 nan 8.150 nan 0.000 0.445 560 K N -0.272 120.117 120.400 -0.018 0.000 2.063 560 K HA -0.171 4.181 4.320 0.053 0.000 0.208 560 K C 1.429 178.033 176.600 0.006 0.000 1.048 560 K CA 1.683 57.969 56.287 -0.001 0.000 0.928 560 K CB -0.159 32.348 32.500 0.011 0.000 0.713 560 K HN 0.459 nan 8.250 nan 0.000 0.442 561 N N 0.172 118.879 118.700 0.012 0.000 2.512 561 N HA -0.092 4.680 4.740 0.053 0.000 0.183 561 N C 0.696 176.208 175.510 0.003 0.000 1.073 561 N CA 0.689 53.753 53.050 0.022 0.000 0.911 561 N CB 0.176 38.690 38.487 0.044 0.000 0.964 561 N HN 0.133 nan 8.380 nan 0.000 0.447 562 L N -0.733 120.480 121.223 -0.016 0.000 2.664 562 L HA 0.315 4.687 4.340 0.053 0.000 0.233 562 L C 1.158 178.013 176.870 -0.024 0.000 1.113 562 L CA 0.151 54.971 54.840 -0.032 0.000 0.896 562 L CB -0.736 41.289 42.059 -0.057 0.000 1.163 562 L HN 0.188 nan 8.230 nan 0.000 0.497 563 G N 0.785 109.576 108.800 -0.014 0.000 2.198 563 G HA2 -0.268 3.724 3.960 0.053 0.000 0.257 563 G HA3 -0.268 3.724 3.960 0.053 0.000 0.257 563 G C 0.242 175.134 174.900 -0.014 0.000 1.042 563 G CA 0.315 45.409 45.100 -0.010 0.000 0.791 563 G HN 0.289 nan 8.290 nan 0.000 0.502 564 I N -0.327 120.231 120.570 -0.020 0.000 2.603 564 I HA 0.483 4.685 4.170 0.053 0.000 0.300 564 I C 0.114 176.217 176.117 -0.023 0.000 1.017 564 I CA -0.805 60.481 61.300 -0.023 0.000 1.098 564 I CB 1.958 39.938 38.000 -0.034 0.000 1.279 564 I HN 0.032 nan 8.210 nan 0.000 0.437 565 E N 4.404 124.591 120.200 -0.020 0.000 2.176 565 E HA 0.341 4.723 4.350 0.053 0.000 0.267 565 E C -1.262 175.321 176.600 -0.027 0.000 0.893 565 E CA -1.086 55.302 56.400 -0.021 0.000 0.761 565 E CB 2.179 31.870 29.700 -0.015 0.000 1.133 565 E HN 0.258 nan 8.360 nan 0.000 0.409 566 L N 3.099 124.301 121.223 -0.035 0.000 2.499 566 L HA 0.005 4.377 4.340 0.053 0.000 0.273 566 L C 1.165 178.014 176.870 -0.036 0.000 1.195 566 L CA 0.638 55.452 54.840 -0.043 0.000 0.882 566 L CB 0.264 42.290 42.059 -0.056 0.000 1.133 566 L HN 0.580 nan 8.230 nan 0.000 0.483 567 T N -1.025 113.508 114.554 -0.035 0.000 2.726 567 T HA 0.119 4.502 4.350 0.053 0.000 0.294 567 T C 0.898 175.576 174.700 -0.036 0.000 1.013 567 T CA -0.397 61.685 62.100 -0.029 0.000 0.996 567 T CB 0.493 69.346 68.868 -0.024 0.000 1.016 567 T HN 0.589 nan 8.240 nan 0.000 0.529 568 D N 0.163 120.545 120.400 -0.030 0.000 2.117 568 D HA -0.050 4.622 4.640 0.053 0.000 0.197 568 D C 1.648 177.923 176.300 -0.042 0.000 0.987 568 D CA 1.175 55.155 54.000 -0.032 0.000 0.829 568 D CB -0.139 40.647 40.800 -0.024 0.000 0.961 568 D HN 0.599 nan 8.370 nan 0.000 0.460 569 D N 0.119 120.495 120.400 -0.040 0.000 2.104 569 D HA -0.158 4.515 4.640 0.053 0.000 0.194 569 D C 2.043 178.294 176.300 -0.082 0.000 0.994 569 D CA 0.918 54.888 54.000 -0.050 0.000 0.830 569 D CB -0.256 40.522 40.800 -0.036 0.000 0.959 569 D HN 0.311 nan 8.370 nan 0.000 0.452 570 Q N -0.528 119.222 119.800 -0.084 0.000 2.135 570 Q HA -0.116 4.256 4.340 0.053 0.000 0.204 570 Q C 1.845 177.768 176.000 -0.128 0.000 0.981 570 Q CA 0.562 56.291 55.803 -0.123 0.000 0.856 570 Q CB -0.013 28.666 28.738 -0.098 0.000 0.902 570 Q HN 0.181 nan 8.270 nan 0.000 0.425 571 L N 0.813 121.982 121.223 -0.091 0.000 2.362 571 L HA -0.088 4.284 4.340 0.053 0.000 0.219 571 L C 0.873 177.693 176.870 -0.083 0.000 1.134 571 L CA 1.420 56.212 54.840 -0.080 0.000 0.807 571 L CB -0.350 41.675 42.059 -0.056 0.000 0.927 571 L HN 0.218 nan 8.230 nan 0.000 0.447 572 N N -0.949 117.699 118.700 -0.087 0.000 2.214 572 N HA 0.197 4.969 4.740 0.053 0.000 0.214 572 N C 0.228 175.678 175.510 -0.101 0.000 1.132 572 N CA -0.027 52.976 53.050 -0.078 0.000 0.856 572 N CB 0.586 39.038 38.487 -0.057 0.000 1.020 572 N HN 0.195 nan 8.380 nan 0.000 0.509 573 I N 1.546 122.022 120.570 -0.156 0.000 2.517 573 I HA -0.019 4.183 4.170 0.053 0.000 0.285 573 I C 0.426 176.454 176.117 -0.148 0.000 1.106 573 I CA 0.195 61.372 61.300 -0.204 0.000 1.402 573 I CB 0.383 38.144 38.000 -0.399 0.000 1.399 573 I HN -0.139 nan 8.210 nan 0.000 0.535 574 T N 8.460 122.955 114.554 -0.098 0.000 2.902 574 T HA 0.111 4.493 4.350 0.053 0.000 0.301 574 T C -1.897 172.770 174.700 -0.055 0.000 1.012 574 T CA -0.745 61.321 62.100 -0.056 0.000 1.151 574 T CB -0.046 68.809 68.868 -0.022 0.000 0.946 574 T HN 0.430 nan 8.240 nan 0.000 0.542 575 P HA 0.239 nan 4.420 nan 0.000 0.272 575 P C -2.454 174.860 177.300 0.023 0.000 1.240 575 P CA -1.458 61.629 63.100 -0.022 0.000 0.791 575 P CB -0.413 31.284 31.700 -0.005 0.000 0.978 576 P HA 0.238 nan 4.420 nan 0.000 0.272 576 P C -2.378 174.977 177.300 0.092 0.000 1.240 576 P CA -1.246 61.921 63.100 0.112 0.000 0.791 576 P CB -1.108 30.706 31.700 0.190 0.000 0.978 577 P HA 0.137 nan 4.420 nan 0.000 0.272 577 P C -0.203 177.148 177.300 0.086 0.000 1.240 577 P CA 0.089 63.238 63.100 0.081 0.000 0.791 577 P CB 0.249 32.000 31.700 0.084 0.000 0.978 578 D N -0.489 119.954 120.400 0.072 0.000 2.363 578 D HA 0.105 4.777 4.640 0.053 0.000 0.240 578 D C -0.169 176.182 176.300 0.084 0.000 1.236 578 D CA 0.027 54.066 54.000 0.065 0.000 0.927 578 D CB 0.354 41.187 40.800 0.055 0.000 1.150 578 D HN -0.036 nan 8.370 nan 0.000 0.458 579 V N 2.014 121.968 119.914 0.067 0.000 2.334 579 V HA 0.070 4.222 4.120 0.053 0.000 0.267 579 V C 0.162 176.350 176.094 0.157 0.000 1.040 579 V CA -0.561 61.806 62.300 0.113 0.000 0.866 579 V CB -0.109 31.692 31.823 -0.036 0.000 1.019 579 V HN 0.566 nan 8.190 nan 0.000 0.468 580 N N 4.484 123.299 118.700 0.192 0.000 2.708 580 N HA -0.238 4.534 4.740 0.053 0.000 0.251 580 N C 1.163 176.739 175.510 0.111 0.000 1.017 580 N CA 1.166 54.313 53.050 0.162 0.000 0.742 580 N CB -0.845 37.784 38.487 0.236 0.000 0.943 580 N HN 1.300 nan 8.380 nan 0.000 0.539 581 G N -2.276 106.575 108.800 0.085 0.000 2.195 581 G HA2 -0.308 3.684 3.960 0.053 0.000 0.246 581 G HA3 -0.308 3.684 3.960 0.053 0.000 0.246 581 G C 0.060 174.992 174.900 0.053 0.000 0.984 581 G CA 0.188 45.324 45.100 0.060 0.000 0.633 581 G HN 0.378 nan 8.290 nan 0.000 0.525 582 L N 1.254 122.512 121.223 0.059 0.000 2.305 582 L HA 0.432 4.804 4.340 0.053 0.000 0.281 582 L C 1.623 178.509 176.870 0.027 0.000 1.085 582 L CA -0.148 54.716 54.840 0.040 0.000 0.813 582 L CB 1.209 43.292 42.059 0.039 0.000 1.157 582 L HN 0.272 nan 8.230 nan 0.000 0.436 583 K N 3.444 123.854 120.400 0.017 0.000 2.358 583 K HA 0.204 4.556 4.320 0.053 0.000 0.200 583 K C -0.270 176.325 176.600 -0.009 0.000 1.030 583 K CA -0.101 56.193 56.287 0.011 0.000 1.097 583 K CB 0.714 33.222 32.500 0.013 0.000 0.862 583 K HN 0.728 nan 8.250 nan 0.000 0.534 584 K N -0.412 119.978 120.400 -0.017 0.000 2.772 584 K HA 0.235 4.587 4.320 0.053 0.000 0.292 584 K C -2.181 174.402 176.600 -0.029 0.000 1.049 584 K CA -0.870 55.391 56.287 -0.043 0.000 0.846 584 K CB 0.784 33.238 32.500 -0.076 0.000 1.514 584 K HN -0.137 nan 8.250 nan 0.000 0.373 585 D N 1.122 121.498 120.400 -0.041 0.000 2.478 585 D HA 0.295 4.968 4.640 0.053 0.000 0.240 585 D C -2.193 174.089 176.300 -0.030 0.000 1.364 585 D CA -1.925 52.069 54.000 -0.010 0.000 0.987 585 D CB 2.158 42.974 40.800 0.025 0.000 1.328 585 D HN 0.253 nan 8.370 nan 0.000 0.584 586 P HA -0.081 nan 4.420 nan 0.000 0.225 586 P C 1.286 178.575 177.300 -0.018 0.000 1.148 586 P CA 0.677 63.746 63.100 -0.052 0.000 0.779 586 P CB 0.110 31.792 31.700 -0.031 0.000 0.780 587 S N -1.020 114.701 115.700 0.036 0.000 2.500 587 S HA -0.067 4.435 4.470 0.053 0.000 0.239 587 S C 1.624 176.305 174.600 0.134 0.000 0.989 587 S CA 0.788 59.046 58.200 0.097 0.000 0.951 587 S CB -1.371 61.909 63.200 0.133 0.000 0.759 587 S HN 0.154 nan 8.310 nan 0.000 0.523 588 L N 0.969 122.227 121.223 0.058 0.000 2.529 588 L HA 0.254 4.626 4.340 0.053 0.000 0.223 588 L C 1.391 178.148 176.870 -0.188 0.000 1.113 588 L CA 0.015 54.877 54.840 0.037 0.000 0.861 588 L CB -0.102 41.969 42.059 0.019 0.000 1.012 588 L HN 0.311 nan 8.230 nan 0.000 0.461 589 S N -0.325 115.256 115.700 -0.198 0.000 2.586 589 S HA 0.294 4.796 4.470 0.053 0.000 0.274 589 S C 1.072 175.554 174.600 -0.195 0.000 1.281 589 S CA -0.597 57.436 58.200 -0.277 0.000 1.035 589 S CB 1.264 64.300 63.200 -0.273 0.000 0.962 589 S HN 0.173 nan 8.310 nan 0.000 0.512 590 L N 3.159 124.187 121.223 -0.324 0.000 2.217 590 L HA 0.031 4.403 4.340 0.053 0.000 0.211 590 L C 0.776 177.388 176.870 -0.430 0.000 1.107 590 L CA 1.065 55.616 54.840 -0.481 0.000 0.783 590 L CB -0.263 41.204 42.059 -0.988 0.000 0.919 590 L HN 0.762 nan 8.230 nan 0.000 0.442 591 Y N -2.522 117.775 120.300 -0.005 0.000 2.448 591 Y HA 0.348 4.930 4.550 0.054 0.000 0.257 591 Y C 2.145 178.070 175.900 0.042 0.000 1.089 591 Y CA -0.208 57.942 58.100 0.083 0.000 1.245 591 Y CB -0.514 38.051 38.460 0.175 0.000 1.282 591 Y HN -0.060 nan 8.280 nan 0.000 0.529 592 A N 1.047 123.895 122.820 0.047 0.000 1.903 592 A HA -0.144 4.208 4.320 0.053 0.000 0.219 592 A C 0.987 178.604 177.584 0.056 0.000 1.191 592 A CA 1.295 53.330 52.037 -0.004 0.000 0.638 592 A CB -0.844 18.102 19.000 -0.089 0.000 0.823 592 A HN 0.293 nan 8.150 nan 0.000 0.451 593 I N 0.748 121.358 120.570 0.066 0.000 2.312 593 I HA 0.239 4.441 4.170 0.053 0.000 0.290 593 I C -2.447 173.741 176.117 0.119 0.000 1.008 593 I CA -2.181 59.166 61.300 0.079 0.000 1.226 593 I CB 1.352 39.387 38.000 0.059 0.000 1.371 593 I HN 0.021 nan 8.210 nan 0.000 0.468 594 P HA -0.047 nan 4.420 nan 0.000 0.261 594 P C -0.234 177.140 177.300 0.123 0.000 1.173 594 P CA 0.598 63.785 63.100 0.144 0.000 0.760 594 P CB 0.500 32.267 31.700 0.112 0.000 0.783 595 D N 1.173 121.656 120.400 0.139 0.000 2.682 595 D HA 0.110 4.782 4.640 0.053 0.000 0.291 595 D C 0.414 176.777 176.300 0.105 0.000 1.585 595 D CA -0.206 53.861 54.000 0.112 0.000 0.845 595 D CB -0.275 40.593 40.800 0.114 0.000 1.323 595 D HN 0.368 nan 8.370 nan 0.000 0.438 596 G N 0.329 109.198 108.800 0.115 0.000 2.491 596 G HA2 0.390 4.382 3.960 0.053 0.000 0.242 596 G HA3 0.390 4.382 3.960 0.053 0.000 0.242 596 G C -0.589 174.350 174.900 0.064 0.000 1.266 596 G CA -0.064 45.097 45.100 0.101 0.000 0.844 596 G HN 0.178 nan 8.290 nan 0.000 0.571 597 D N 0.530 120.960 120.400 0.050 0.000 2.855 597 D HA 0.194 4.867 4.640 0.053 0.000 0.241 597 D C 0.837 177.149 176.300 0.021 0.000 1.277 597 D CA -0.601 53.415 54.000 0.027 0.000 0.918 597 D CB 1.940 42.749 40.800 0.015 0.000 1.462 597 D HN 0.311 nan 8.370 nan 0.000 0.559 598 V N 1.643 121.561 119.914 0.007 0.000 3.650 598 V HA 0.287 4.439 4.120 0.053 0.000 0.271 598 V C 0.982 177.058 176.094 -0.031 0.000 1.281 598 V CA -0.061 62.239 62.300 0.000 0.000 1.120 598 V CB -0.643 31.175 31.823 -0.007 0.000 0.856 598 V HN 0.389 nan 8.190 nan 0.000 0.443 599 K N 1.472 121.847 120.400 -0.041 0.000 2.447 599 K HA 0.397 4.749 4.320 0.053 0.000 0.281 599 K C 1.285 177.844 176.600 -0.069 0.000 1.031 599 K CA 1.129 57.370 56.287 -0.077 0.000 1.019 599 K CB 0.091 32.552 32.500 -0.064 0.000 0.918 599 K HN 0.682 nan 8.250 nan 0.000 0.476 600 G N 3.235 111.960 108.800 -0.126 0.000 2.217 600 G HA2 -0.226 3.767 3.960 0.053 0.000 0.246 600 G HA3 -0.226 3.767 3.960 0.053 0.000 0.246 600 G C 0.105 175.046 174.900 0.068 0.000 0.990 600 G CA -0.181 44.916 45.100 -0.004 0.000 0.627 600 G HN 0.571 nan 8.290 nan 0.000 0.522 601 R N -0.157 120.356 120.500 0.022 0.000 2.822 601 R HA 0.605 4.977 4.340 0.053 0.000 0.277 601 R C 0.255 176.609 176.300 0.090 0.000 1.102 601 R CA 0.099 56.241 56.100 0.070 0.000 1.207 601 R CB 0.280 30.613 30.300 0.056 0.000 1.139 601 R HN 0.457 nan 8.270 nan 0.000 0.557 602 V N 0.377 120.361 119.914 0.117 0.000 2.808 602 V HA 0.351 4.503 4.120 0.053 0.000 0.308 602 V C -0.449 175.710 176.094 0.108 0.000 1.099 602 V CA -0.892 61.492 62.300 0.141 0.000 0.920 602 V CB 2.483 34.414 31.823 0.180 0.000 1.014 602 V HN 0.380 nan 8.190 nan 0.000 0.425 603 V N 2.575 122.547 119.914 0.097 0.000 2.628 603 V HA 0.837 4.989 4.120 0.053 0.000 0.306 603 V C 0.375 176.526 176.094 0.095 0.000 1.045 603 V CA -0.584 61.765 62.300 0.080 0.000 0.905 603 V CB 1.978 33.834 31.823 0.055 0.000 0.997 603 V HN 1.059 nan 8.190 nan 0.000 0.436 604 A N 5.458 128.340 122.820 0.105 0.000 2.309 604 A HA 0.821 5.173 4.320 0.053 0.000 0.298 604 A C -0.527 177.080 177.584 0.037 0.000 1.165 604 A CA -0.367 51.724 52.037 0.089 0.000 0.821 604 A CB 0.218 19.309 19.000 0.151 0.000 1.102 604 A HN 0.758 nan 8.150 nan 0.000 0.500 605 I N 3.155 123.740 120.570 0.024 0.000 2.389 605 I HA 0.234 4.436 4.170 0.053 0.000 0.288 605 I C -0.672 175.457 176.117 0.021 0.000 0.999 605 I CA -0.256 61.059 61.300 0.025 0.000 1.129 605 I CB 1.492 39.517 38.000 0.041 0.000 1.288 605 I HN 0.472 nan 8.210 nan 0.000 0.444 606 L N 7.171 128.400 121.223 0.009 0.000 2.268 606 L HA 0.433 4.805 4.340 0.053 0.000 0.289 606 L C 0.077 177.049 176.870 0.170 0.000 1.064 606 L CA -0.421 54.477 54.840 0.096 0.000 0.824 606 L CB 0.365 42.353 42.059 -0.118 0.000 1.202 606 L HN 0.450 nan 8.230 nan 0.000 0.433 607 L N 3.423 124.783 121.223 0.228 0.000 2.475 607 L HA 0.254 4.627 4.340 0.053 0.000 0.253 607 L C 0.219 177.266 176.870 0.296 0.000 1.198 607 L CA -0.282 54.654 54.840 0.159 0.000 0.814 607 L CB 0.691 42.749 42.059 -0.001 0.000 1.134 607 L HN 0.712 nan 8.230 nan 0.000 0.478 608 N N -2.054 116.721 118.700 0.124 0.000 2.761 608 N HA 0.210 4.982 4.740 0.053 0.000 0.283 608 N C -0.280 175.173 175.510 -0.096 0.000 1.377 608 N CA -0.720 52.437 53.050 0.178 0.000 0.791 608 N CB 0.645 39.240 38.487 0.179 0.000 1.540 608 N HN 0.536 nan 8.380 nan 0.000 0.539 609 D N -1.729 118.664 120.400 -0.012 0.000 2.363 609 D HA -0.067 4.605 4.640 0.053 0.000 0.220 609 D C -0.389 175.869 176.300 -0.071 0.000 0.994 609 D CA 0.797 54.728 54.000 -0.114 0.000 0.890 609 D CB -0.029 40.781 40.800 0.016 0.000 0.906 609 D HN 0.743 nan 8.370 nan 0.000 0.530 610 E N 0.708 120.888 120.200 -0.033 0.000 3.626 610 E HA 0.218 4.600 4.350 0.053 0.000 0.245 610 E C -1.032 175.555 176.600 -0.023 0.000 1.236 610 E CA -0.392 55.990 56.400 -0.031 0.000 1.072 610 E CB 1.121 30.812 29.700 -0.016 0.000 1.309 610 E HN -0.137 nan 8.360 nan 0.000 0.400 611 V N 2.125 122.018 119.914 -0.035 0.000 2.788 611 V HA -0.044 4.108 4.120 0.053 0.000 0.307 611 V C 0.973 177.052 176.094 -0.025 0.000 1.069 611 V CA 0.549 62.835 62.300 -0.024 0.000 1.173 611 V CB 0.564 32.367 31.823 -0.033 0.000 0.925 611 V HN 0.514 nan 8.190 nan 0.000 0.492 612 R N 3.522 124.008 120.500 -0.024 0.000 2.488 612 R HA 0.031 4.403 4.340 0.053 0.000 0.306 612 R C 1.714 177.993 176.300 -0.035 0.000 1.271 612 R CA 0.503 56.584 56.100 -0.032 0.000 1.022 612 R CB -0.030 30.246 30.300 -0.040 0.000 1.054 612 R HN 1.034 nan 8.270 nan 0.000 0.500 613 S N 2.865 118.546 115.700 -0.031 0.000 2.389 613 S HA -0.348 4.154 4.470 0.053 0.000 0.231 613 S C 2.016 176.598 174.600 -0.030 0.000 1.052 613 S CA 1.358 59.541 58.200 -0.029 0.000 1.053 613 S CB -0.349 62.836 63.200 -0.025 0.000 0.886 613 S HN 0.688 nan 8.310 nan 0.000 0.456 614 A N 2.418 125.217 122.820 -0.035 0.000 1.908 614 A HA -0.156 4.196 4.320 0.053 0.000 0.218 614 A C 2.008 179.560 177.584 -0.052 0.000 1.181 614 A CA 1.748 53.762 52.037 -0.040 0.000 0.627 614 A CB -0.941 18.034 19.000 -0.042 0.000 0.818 614 A HN 0.492 nan 8.150 nan 0.000 0.445 615 D N -0.108 120.250 120.400 -0.070 0.000 2.092 615 D HA -0.152 4.520 4.640 0.053 0.000 0.193 615 D C 1.927 178.196 176.300 -0.051 0.000 0.994 615 D CA 1.042 54.985 54.000 -0.094 0.000 0.828 615 D CB -0.434 40.298 40.800 -0.114 0.000 0.963 615 D HN 0.363 nan 8.370 nan 0.000 0.450 616 L N 0.453 121.658 121.223 -0.030 0.000 2.083 616 L HA -0.133 4.239 4.340 0.053 0.000 0.209 616 L C 2.453 179.320 176.870 -0.003 0.000 1.083 616 L CA 0.750 55.584 54.840 -0.009 0.000 0.752 616 L CB -0.212 41.841 42.059 -0.011 0.000 0.899 616 L HN 0.092 nan 8.230 nan 0.000 0.433 617 L N -0.697 120.520 121.223 -0.011 0.000 2.046 617 L HA -0.203 4.169 4.340 0.053 0.000 0.208 617 L C 2.806 179.676 176.870 0.001 0.000 1.077 617 L CA 1.250 56.087 54.840 -0.005 0.000 0.747 617 L CB -0.624 41.429 42.059 -0.010 0.000 0.896 617 L HN 0.273 nan 8.230 nan 0.000 0.432 618 A N 0.252 123.069 122.820 -0.005 0.000 1.873 618 A HA -0.179 4.174 4.320 0.053 0.000 0.215 618 A C 2.174 179.777 177.584 0.031 0.000 1.186 618 A CA 1.459 53.500 52.037 0.006 0.000 0.616 618 A CB -0.645 18.349 19.000 -0.010 0.000 0.823 618 A HN 0.329 nan 8.150 nan 0.000 0.442 619 I N -0.224 120.369 120.570 0.038 0.000 2.127 619 I HA -0.286 3.916 4.170 0.053 0.000 0.241 619 I C 2.341 178.489 176.117 0.051 0.000 1.075 619 I CA 1.376 62.720 61.300 0.072 0.000 1.334 619 I CB -0.322 37.727 38.000 0.081 0.000 1.040 619 I HN 0.282 nan 8.210 nan 0.000 0.405 620 L N 0.352 121.596 121.223 0.035 0.000 2.156 620 L HA -0.162 4.210 4.340 0.053 0.000 0.208 620 L C 2.593 179.477 176.870 0.023 0.000 1.095 620 L CA 0.998 55.855 54.840 0.030 0.000 0.770 620 L CB -0.609 41.465 42.059 0.025 0.000 0.914 620 L HN 0.261 nan 8.230 nan 0.000 0.439 621 K N 1.029 121.441 120.400 0.020 0.000 2.097 621 K HA -0.164 4.188 4.320 0.053 0.000 0.205 621 K C 2.058 178.667 176.600 0.015 0.000 1.050 621 K CA 1.415 57.711 56.287 0.015 0.000 0.938 621 K CB 0.016 32.523 32.500 0.013 0.000 0.718 621 K HN 0.252 nan 8.250 nan 0.000 0.442 622 A N 1.321 124.156 122.820 0.024 0.000 1.930 622 A HA 0.008 4.360 4.320 0.053 0.000 0.215 622 A C 2.122 179.711 177.584 0.009 0.000 1.176 622 A CA 0.651 52.701 52.037 0.022 0.000 0.632 622 A CB -0.340 18.684 19.000 0.040 0.000 0.819 622 A HN 0.276 nan 8.150 nan 0.000 0.445 623 L N -0.608 120.622 121.223 0.012 0.000 2.027 623 L HA -0.185 4.187 4.340 0.053 0.000 0.206 623 L C 2.606 179.459 176.870 -0.028 0.000 1.074 623 L CA 1.917 56.753 54.840 -0.007 0.000 0.745 623 L CB -0.492 41.571 42.059 0.007 0.000 0.898 623 L HN 0.429 nan 8.230 nan 0.000 0.433 624 K N 0.455 120.848 120.400 -0.012 0.000 2.074 624 K HA -0.238 4.114 4.320 0.053 0.000 0.209 624 K C 2.093 178.678 176.600 -0.025 0.000 1.048 624 K CA 1.613 57.889 56.287 -0.017 0.000 0.926 624 K CB -0.152 32.349 32.500 0.003 0.000 0.713 624 K HN 0.290 nan 8.250 nan 0.000 0.444 625 A N 0.852 123.663 122.820 -0.016 0.000 2.024 625 A HA -0.135 4.217 4.320 0.053 0.000 0.220 625 A C 1.575 179.144 177.584 -0.026 0.000 1.164 625 A CA 1.480 53.508 52.037 -0.015 0.000 0.643 625 A CB -0.144 18.853 19.000 -0.005 0.000 0.806 625 A HN 0.173 nan 8.150 nan 0.000 0.451 626 K N -1.518 118.860 120.400 -0.036 0.000 2.372 626 K HA 0.216 4.568 4.320 0.053 0.000 0.200 626 K C 0.926 177.478 176.600 -0.080 0.000 1.022 626 K CA 0.619 56.878 56.287 -0.046 0.000 1.125 626 K CB 0.111 32.589 32.500 -0.036 0.000 0.855 626 K HN 0.720 nan 8.250 nan 0.000 0.524 627 G N 1.585 110.322 108.800 -0.105 0.000 2.176 627 G HA2 -0.230 3.762 3.960 0.053 0.000 0.252 627 G HA3 -0.230 3.762 3.960 0.053 0.000 0.252 627 G C 0.051 174.747 174.900 -0.339 0.000 1.024 627 G CA 0.225 45.214 45.100 -0.186 0.000 0.755 627 G HN 0.112 nan 8.290 nan 0.000 0.507 628 V N 0.671 120.432 119.914 -0.255 0.000 2.439 628 V HA 0.506 4.658 4.120 0.053 0.000 0.282 628 V C 0.783 176.711 176.094 -0.277 0.000 1.039 628 V CA -0.757 61.388 62.300 -0.259 0.000 0.913 628 V CB 1.174 32.935 31.823 -0.103 0.000 0.983 628 V HN 0.455 nan 8.190 nan 0.000 0.460 629 H N 1.741 120.824 119.070 0.021 0.000 2.509 629 H HA 0.780 5.368 4.556 0.053 0.000 0.359 629 H C 0.187 175.536 175.328 0.034 0.000 1.253 629 H CA 0.098 56.161 56.048 0.025 0.000 1.373 629 H CB 1.242 31.020 29.762 0.027 0.000 1.555 629 H HN 0.849 nan 8.280 nan 0.000 0.586 630 A N 0.901 123.830 122.820 0.182 0.000 2.475 630 A HA 0.535 4.887 4.320 0.053 0.000 0.301 630 A C -1.201 176.441 177.584 0.097 0.000 1.059 630 A CA -1.050 51.055 52.037 0.113 0.000 0.710 630 A CB 1.294 20.341 19.000 0.079 0.000 1.288 630 A HN 0.770 nan 8.150 nan 0.000 0.408 631 K N 1.996 122.446 120.400 0.084 0.000 2.345 631 K HA 0.720 5.072 4.320 0.053 0.000 0.255 631 K C -1.529 175.099 176.600 0.047 0.000 0.934 631 K CA -0.546 55.780 56.287 0.065 0.000 0.801 631 K CB 1.628 34.175 32.500 0.077 0.000 1.137 631 K HN 0.505 nan 8.250 nan 0.000 0.424 632 L N 4.061 125.302 121.223 0.029 0.000 2.265 632 L HA 0.344 4.716 4.340 0.053 0.000 0.288 632 L C -0.785 176.087 176.870 0.003 0.000 1.058 632 L CA -1.125 53.725 54.840 0.016 0.000 0.809 632 L CB 0.577 42.638 42.059 0.002 0.000 1.179 632 L HN 0.468 nan 8.230 nan 0.000 0.429 633 L N 4.176 125.403 121.223 0.006 0.000 2.333 633 L HA 0.622 4.994 4.340 0.053 0.000 0.269 633 L C -0.516 176.269 176.870 -0.143 0.000 1.010 633 L CA -0.400 54.398 54.840 -0.070 0.000 0.818 633 L CB 1.666 43.713 42.059 -0.021 0.000 1.306 633 L HN 0.366 nan 8.230 nan 0.000 0.430 634 Y N -0.662 119.196 120.300 -0.737 0.000 2.967 634 Y HA 0.313 4.895 4.550 0.053 0.000 0.311 634 Y C 0.788 175.954 175.900 -1.224 0.000 1.555 634 Y CA -0.390 57.189 58.100 -0.868 0.000 1.084 634 Y CB 1.210 39.480 38.460 -0.317 0.000 1.508 634 Y HN 0.523 nan 8.280 nan 0.000 0.457 635 S N 0.560 115.395 115.700 -1.441 0.000 2.548 635 S HA 0.305 4.807 4.470 0.053 0.000 0.215 635 S C 0.018 174.349 174.600 -0.450 0.000 0.976 635 S CA 0.147 57.851 58.200 -0.827 0.000 0.908 635 S CB -0.007 62.836 63.200 -0.595 0.000 0.781 635 S HN 0.598 nan 8.310 nan 0.000 0.519 636 R N -0.986 119.318 120.500 -0.327 0.000 2.795 636 R HA 0.641 5.013 4.340 0.053 0.000 0.268 636 R C -0.738 175.550 176.300 -0.020 0.000 1.041 636 R CA -1.116 54.921 56.100 -0.106 0.000 0.927 636 R CB 0.516 30.796 30.300 -0.033 0.000 1.235 636 R HN -0.085 nan 8.270 nan 0.000 0.463 637 M N -0.032 119.563 119.600 -0.009 0.000 2.116 637 M HA 0.471 4.983 4.480 0.053 0.000 0.235 637 M C 1.048 177.363 176.300 0.026 0.000 1.193 637 M CA 0.860 56.163 55.300 0.004 0.000 0.959 637 M CB 0.347 32.942 32.600 -0.008 0.000 1.313 637 M HN 1.053 nan 8.290 nan 0.000 0.530 638 G N 0.599 109.405 108.800 0.010 0.000 2.754 638 G HA2 -0.143 3.849 3.960 0.053 0.000 0.241 638 G HA3 -0.143 3.849 3.960 0.053 0.000 0.241 638 G C -0.587 174.306 174.900 -0.012 0.000 1.281 638 G CA 0.187 45.288 45.100 0.003 0.000 0.971 638 G HN 0.999 nan 8.290 nan 0.000 0.569 639 E N -1.065 119.120 120.200 -0.025 0.000 2.449 639 E HA 0.694 5.076 4.350 0.053 0.000 0.278 639 E C -0.462 176.071 176.600 -0.111 0.000 0.992 639 E CA -0.501 55.862 56.400 -0.061 0.000 0.807 639 E CB 2.340 32.013 29.700 -0.046 0.000 1.350 639 E HN 1.689 nan 8.360 nan 0.000 0.462 640 V N -2.231 117.582 119.914 -0.168 0.000 3.141 640 V HA 0.750 4.902 4.120 0.053 0.000 0.312 640 V C -0.510 175.502 176.094 -0.137 0.000 1.157 640 V CA -0.740 61.431 62.300 -0.215 0.000 1.041 640 V CB 1.656 33.220 31.823 -0.431 0.000 1.071 640 V HN 0.767 nan 8.190 nan 0.000 0.441 641 T N 1.659 116.145 114.554 -0.115 0.000 2.824 641 T HA 0.802 5.184 4.350 0.053 0.000 0.282 641 T C 0.186 174.845 174.700 -0.069 0.000 0.993 641 T CA 0.244 62.299 62.100 -0.075 0.000 0.967 641 T CB 1.447 70.285 68.868 -0.051 0.000 0.960 641 T HN 1.338 nan 8.240 nan 0.000 0.441 642 A N 2.032 124.819 122.820 -0.056 0.000 2.280 642 A HA 0.394 4.747 4.320 0.053 0.000 0.268 642 A C 1.474 179.037 177.584 -0.035 0.000 1.111 642 A CA -0.312 51.697 52.037 -0.046 0.000 0.814 642 A CB 0.041 19.018 19.000 -0.039 0.000 1.093 642 A HN 0.905 nan 8.150 nan 0.000 0.498 643 D N -0.254 120.128 120.400 -0.030 0.000 2.178 643 D HA -0.173 4.500 4.640 0.053 0.000 0.201 643 D C 0.492 176.779 176.300 -0.022 0.000 0.980 643 D CA 1.550 55.536 54.000 -0.024 0.000 0.842 643 D CB -0.364 40.423 40.800 -0.022 0.000 0.948 643 D HN 0.586 nan 8.370 nan 0.000 0.472 644 D N -1.516 118.870 120.400 -0.022 0.000 2.388 644 D HA 0.250 4.922 4.640 0.053 0.000 0.221 644 D C 1.587 177.876 176.300 -0.019 0.000 1.133 644 D CA 0.107 54.096 54.000 -0.019 0.000 0.831 644 D CB -0.099 40.690 40.800 -0.018 0.000 0.962 644 D HN 0.319 nan 8.370 nan 0.000 0.502 645 G N -0.023 108.764 108.800 -0.022 0.000 2.184 645 G HA2 -0.303 3.689 3.960 0.053 0.000 0.264 645 G HA3 -0.303 3.689 3.960 0.053 0.000 0.264 645 G C 0.464 175.350 174.900 -0.024 0.000 0.975 645 G CA 0.399 45.486 45.100 -0.022 0.000 0.642 645 G HN 0.453 nan 8.290 nan 0.000 0.536 646 T N 1.205 115.744 114.554 -0.025 0.000 2.831 646 T HA 0.368 4.750 4.350 0.053 0.000 0.291 646 T C 0.705 175.385 174.700 -0.033 0.000 0.981 646 T CA 0.155 62.240 62.100 -0.025 0.000 1.174 646 T CB 1.946 70.799 68.868 -0.024 0.000 0.929 646 T HN 0.435 nan 8.240 nan 0.000 0.532 647 V N 6.059 125.955 119.914 -0.030 0.000 2.432 647 V HA 0.269 4.421 4.120 0.053 0.000 0.271 647 V C 0.280 176.351 176.094 -0.038 0.000 1.046 647 V CA -0.474 61.804 62.300 -0.037 0.000 0.945 647 V CB 0.529 32.334 31.823 -0.030 0.000 0.992 647 V HN 0.669 nan 8.190 nan 0.000 0.471 648 L N 8.227 129.417 121.223 -0.054 0.000 2.294 648 L HA 0.471 4.843 4.340 0.053 0.000 0.283 648 L C -2.398 174.436 176.870 -0.059 0.000 1.015 648 L CA -1.841 52.966 54.840 -0.054 0.000 0.831 648 L CB 1.708 43.725 42.059 -0.070 0.000 1.217 648 L HN 0.394 nan 8.230 nan 0.000 0.420 649 P HA 0.238 nan 4.420 nan 0.000 0.276 649 P C -0.400 176.882 177.300 -0.030 0.000 1.230 649 P CA -0.033 63.050 63.100 -0.030 0.000 0.776 649 P CB 1.121 32.812 31.700 -0.016 0.000 0.888 650 I N 2.248 122.801 120.570 -0.028 0.000 2.395 650 I HA 0.196 4.398 4.170 0.053 0.000 0.289 650 I C 1.542 177.651 176.117 -0.013 0.000 1.023 650 I CA -0.193 61.094 61.300 -0.022 0.000 1.350 650 I CB 1.325 39.319 38.000 -0.009 0.000 1.409 650 I HN 0.361 nan 8.210 nan 0.000 0.507 651 A N 5.164 127.979 122.820 -0.009 0.000 1.943 651 A HA 0.641 4.993 4.320 0.053 0.000 0.213 651 A C 0.919 178.501 177.584 -0.003 0.000 1.181 651 A CA 1.098 53.135 52.037 0.001 0.000 0.653 651 A CB 0.058 19.066 19.000 0.014 0.000 0.833 651 A HN 0.801 nan 8.150 nan 0.000 0.451 652 A N -1.880 120.929 122.820 -0.018 0.000 2.566 652 A HA 0.568 4.920 4.320 0.053 0.000 0.290 652 A C -0.044 177.487 177.584 -0.090 0.000 1.071 652 A CA 0.072 52.094 52.037 -0.025 0.000 0.658 652 A CB -0.277 18.734 19.000 0.019 0.000 1.285 652 A HN 0.741 nan 8.150 nan 0.000 0.427 653 T N -1.394 113.101 114.554 -0.099 0.000 2.849 653 T HA 0.524 4.906 4.350 0.053 0.000 0.284 653 T C 1.017 175.654 174.700 -0.105 0.000 1.004 653 T CA 0.152 62.120 62.100 -0.220 0.000 1.021 653 T CB -0.009 68.772 68.868 -0.145 0.000 1.013 653 T HN 0.488 nan 8.240 nan 0.000 0.527 654 F N 0.624 120.586 119.950 0.020 0.000 2.115 654 F HA -0.097 4.462 4.527 0.053 0.000 0.300 654 F C 2.939 178.870 175.800 0.219 0.000 1.092 654 F CA 1.148 59.212 58.000 0.107 0.000 1.245 654 F CB -0.696 38.345 39.000 0.067 0.000 0.995 654 F HN 0.705 nan 8.300 nan 0.000 0.481 655 A N 0.177 123.165 122.820 0.279 0.000 2.016 655 A HA 0.073 4.425 4.320 0.053 0.000 0.217 655 A C 2.407 180.062 177.584 0.118 0.000 1.162 655 A CA 1.321 53.463 52.037 0.174 0.000 0.662 655 A CB -1.330 17.729 19.000 0.098 0.000 0.812 655 A HN 0.392 nan 8.150 nan 0.000 0.450 656 G N -0.953 107.902 108.800 0.093 0.000 2.448 656 G HA2 0.296 4.288 3.960 0.053 0.000 0.218 656 G HA3 0.296 4.288 3.960 0.053 0.000 0.218 656 G C 0.637 175.589 174.900 0.087 0.000 1.135 656 G CA 0.945 46.082 45.100 0.062 0.000 0.784 656 G HN 1.059 nan 8.290 nan 0.000 0.543 657 A N 0.613 123.523 122.820 0.150 0.000 3.216 657 A HA 0.700 5.052 4.320 0.053 0.000 0.321 657 A C -2.722 175.031 177.584 0.281 0.000 1.042 657 A CA -1.077 51.066 52.037 0.176 0.000 0.838 657 A CB 1.230 20.327 19.000 0.161 0.000 1.136 657 A HN 0.068 nan 8.150 nan 0.000 0.483 658 P HA 0.009 nan 4.420 nan 0.000 0.270 658 P C 1.395 178.535 177.300 -0.267 0.000 1.227 658 P CA 0.482 63.533 63.100 -0.081 0.000 0.788 658 P CB 0.750 32.395 31.700 -0.091 0.000 0.926 659 S N 0.829 116.032 115.700 -0.829 0.000 2.465 659 S HA -0.144 4.358 4.470 0.053 0.000 0.241 659 S C 1.736 176.199 174.600 -0.228 0.000 1.000 659 S CA 1.030 58.889 58.200 -0.569 0.000 0.964 659 S CB -1.272 61.523 63.200 -0.675 0.000 0.763 659 S HN 0.318 nan 8.310 nan 0.000 0.512 660 L N 1.823 122.914 121.223 -0.220 0.000 2.127 660 L HA -0.091 4.281 4.340 0.053 0.000 0.211 660 L C 2.920 179.619 176.870 -0.284 0.000 1.089 660 L CA 1.645 56.346 54.840 -0.231 0.000 0.757 660 L CB -1.266 40.633 42.059 -0.267 0.000 0.899 660 L HN 0.632 nan 8.230 nan 0.000 0.434 661 T N -3.210 111.249 114.554 -0.158 0.000 3.129 661 T HA 0.211 4.593 4.350 0.053 0.000 0.251 661 T C 0.347 175.136 174.700 0.149 0.000 1.117 661 T CA 0.122 62.208 62.100 -0.023 0.000 1.034 661 T CB -0.451 68.498 68.868 0.135 0.000 0.968 661 T HN 0.149 nan 8.240 nan 0.000 0.526 662 V N -2.903 117.059 119.914 0.079 0.000 3.155 662 V HA 0.583 4.735 4.120 0.053 0.000 0.313 662 V C -0.148 175.989 176.094 0.072 0.000 1.162 662 V CA -0.968 61.405 62.300 0.121 0.000 1.048 662 V CB 2.078 33.989 31.823 0.146 0.000 1.092 662 V HN 0.005 nan 8.190 nan 0.000 0.447 663 D N 0.678 121.121 120.400 0.073 0.000 2.392 663 D HA 0.514 5.187 4.640 0.053 0.000 0.206 663 D C 0.513 176.795 176.300 -0.030 0.000 1.046 663 D CA 1.414 55.431 54.000 0.029 0.000 0.865 663 D CB 1.583 42.423 40.800 0.066 0.000 0.969 663 D HN 0.985 nan 8.370 nan 0.000 0.509 664 A N 0.231 123.051 122.820 -0.001 0.000 2.597 664 A HA 0.520 4.872 4.320 0.053 0.000 0.292 664 A C -1.610 175.990 177.584 0.027 0.000 1.057 664 A CA -0.538 51.486 52.037 -0.022 0.000 0.674 664 A CB 1.512 20.489 19.000 -0.039 0.000 1.278 664 A HN -0.106 nan 8.150 nan 0.000 0.416 665 V N 1.394 121.319 119.914 0.018 0.000 2.531 665 V HA 0.562 4.714 4.120 0.053 0.000 0.301 665 V C -0.683 175.422 176.094 0.018 0.000 1.034 665 V CA -0.190 62.137 62.300 0.046 0.000 0.865 665 V CB 1.474 33.343 31.823 0.077 0.000 0.995 665 V HN 0.699 nan 8.190 nan 0.000 0.424 666 I N 4.379 124.970 120.570 0.035 0.000 2.474 666 I HA 0.595 4.797 4.170 0.053 0.000 0.294 666 I C -0.760 175.395 176.117 0.064 0.000 1.005 666 I CA -0.932 60.415 61.300 0.079 0.000 1.113 666 I CB 2.244 40.318 38.000 0.125 0.000 1.289 666 I HN 0.282 nan 8.210 nan 0.000 0.436 667 V N 7.350 127.319 119.914 0.091 0.000 2.407 667 V HA 0.419 4.571 4.120 0.053 0.000 0.291 667 V C -2.212 173.944 176.094 0.104 0.000 1.018 667 V CA -1.531 60.810 62.300 0.069 0.000 0.842 667 V CB 1.471 33.322 31.823 0.047 0.000 0.996 667 V HN 0.560 nan 8.190 nan 0.000 0.426 668 P HA 0.464 nan 4.420 nan 0.000 0.278 668 P C -0.323 176.996 177.300 0.031 0.000 1.258 668 P CA -0.318 62.799 63.100 0.028 0.000 0.811 668 P CB 1.374 33.081 31.700 0.012 0.000 1.063 669 A N 0.327 123.140 122.820 -0.012 0.000 2.310 669 A HA 0.668 5.020 4.320 0.053 0.000 0.260 669 A C 0.795 178.380 177.584 0.002 0.000 1.112 669 A CA 0.701 52.735 52.037 -0.005 0.000 0.804 669 A CB -0.864 18.113 19.000 -0.037 0.000 1.081 669 A HN 0.861 nan 8.150 nan 0.000 0.499 670 G N -0.466 108.335 108.800 0.003 0.000 2.240 670 G HA2 0.041 4.033 3.960 0.053 0.000 0.199 670 G HA3 0.041 4.033 3.960 0.053 0.000 0.199 670 G C -0.483 174.425 174.900 0.013 0.000 1.342 670 G CA -0.032 45.070 45.100 0.003 0.000 1.145 670 G HN 1.138 nan 8.290 nan 0.000 0.477 671 N N 1.913 120.627 118.700 0.022 0.000 2.819 671 N HA 0.200 4.972 4.740 0.053 0.000 0.284 671 N C 1.748 177.291 175.510 0.054 0.000 1.196 671 N CA -0.364 52.704 53.050 0.030 0.000 1.114 671 N CB -0.338 38.167 38.487 0.031 0.000 1.437 671 N HN 0.411 nan 8.380 nan 0.000 0.518 672 I N 0.689 121.280 120.570 0.036 0.000 2.614 672 I HA -0.163 4.039 4.170 0.053 0.000 0.258 672 I C 1.895 178.020 176.117 0.013 0.000 1.189 672 I CA 0.533 61.857 61.300 0.040 0.000 1.462 672 I CB -1.400 36.588 38.000 -0.021 0.000 1.092 672 I HN 0.435 nan 8.210 nan 0.000 0.442 673 A N 0.612 123.434 122.820 0.002 0.000 2.121 673 A HA -0.236 4.116 4.320 0.053 0.000 0.218 673 A C 2.030 179.638 177.584 0.040 0.000 1.154 673 A CA 1.725 53.759 52.037 -0.004 0.000 0.679 673 A CB -0.608 18.389 19.000 -0.006 0.000 0.795 673 A HN 0.402 nan 8.150 nan 0.000 0.458 674 D N 0.189 120.638 120.400 0.082 0.000 2.183 674 D HA -0.098 4.574 4.640 0.053 0.000 0.203 674 D C 1.534 177.925 176.300 0.152 0.000 0.969 674 D CA 1.602 55.678 54.000 0.127 0.000 0.842 674 D CB -0.120 40.787 40.800 0.178 0.000 0.957 674 D HN 0.627 nan 8.370 nan 0.000 0.484 675 I N -4.165 116.511 120.570 0.176 0.000 4.288 675 I HA 0.473 4.675 4.170 0.053 0.000 0.331 675 I C 1.934 178.192 176.117 0.234 0.000 1.322 675 I CA -0.079 61.354 61.300 0.221 0.000 1.149 675 I CB 0.027 38.203 38.000 0.294 0.000 1.112 675 I HN -0.107 nan 8.210 nan 0.000 0.403 676 A N 1.643 124.537 122.820 0.124 0.000 1.986 676 A HA -0.183 4.169 4.320 0.053 0.000 0.220 676 A C 1.499 179.098 177.584 0.026 0.000 1.171 676 A CA 2.241 54.245 52.037 -0.053 0.000 0.640 676 A CB -0.496 18.385 19.000 -0.199 0.000 0.811 676 A HN 0.534 nan 8.150 nan 0.000 0.451 677 D N -1.085 119.345 120.400 0.050 0.000 2.431 677 D HA 0.044 4.716 4.640 0.053 0.000 0.213 677 D C -0.011 176.325 176.300 0.061 0.000 1.130 677 D CA -0.237 53.790 54.000 0.044 0.000 0.834 677 D CB -0.234 40.577 40.800 0.018 0.000 0.985 677 D HN 0.299 nan 8.370 nan 0.000 0.504 678 N N 1.297 120.048 118.700 0.084 0.000 2.416 678 N HA 0.011 4.783 4.740 0.053 0.000 0.265 678 N C 1.382 176.924 175.510 0.053 0.000 1.195 678 N CA 0.160 53.252 53.050 0.071 0.000 0.943 678 N CB 1.306 39.848 38.487 0.092 0.000 1.115 678 N HN 0.042 nan 8.380 nan 0.000 0.481 679 G N 3.360 112.191 108.800 0.051 0.000 2.418 679 G HA2 -0.256 3.736 3.960 0.053 0.000 0.217 679 G HA3 -0.256 3.736 3.960 0.053 0.000 0.217 679 G C 1.004 175.944 174.900 0.066 0.000 1.158 679 G CA 0.484 45.616 45.100 0.052 0.000 0.771 679 G HN 0.572 nan 8.290 nan 0.000 0.545 680 D N 0.885 121.328 120.400 0.071 0.000 2.144 680 D HA -0.018 4.654 4.640 0.053 0.000 0.199 680 D C 2.784 179.054 176.300 -0.050 0.000 0.984 680 D CA 1.209 55.278 54.000 0.115 0.000 0.834 680 D CB -0.381 40.558 40.800 0.232 0.000 0.955 680 D HN 0.313 nan 8.370 nan 0.000 0.465 681 A N 0.946 123.582 122.820 -0.307 0.000 1.873 681 A HA -0.167 4.185 4.320 0.053 0.000 0.215 681 A C 2.020 179.352 177.584 -0.420 0.000 1.186 681 A CA 1.172 52.768 52.037 -0.734 0.000 0.616 681 A CB -0.459 18.096 19.000 -0.741 0.000 0.823 681 A HN 0.146 nan 8.150 nan 0.000 0.442 682 N N -1.358 117.245 118.700 -0.161 0.000 2.069 682 N HA -0.205 4.567 4.740 0.053 0.000 0.191 682 N C 1.721 177.192 175.510 -0.064 0.000 1.031 682 N CA 1.895 54.904 53.050 -0.067 0.000 0.852 682 N CB -0.504 38.038 38.487 0.092 0.000 1.018 682 N HN 0.687 nan 8.380 nan 0.000 0.423 683 Y N 0.676 120.922 120.300 -0.090 0.000 2.181 683 Y HA -0.287 4.295 4.550 0.053 0.000 0.288 683 Y C 2.434 178.274 175.900 -0.100 0.000 1.146 683 Y CA 1.293 59.345 58.100 -0.080 0.000 1.164 683 Y CB -0.432 37.992 38.460 -0.059 0.000 0.982 683 Y HN 0.012 nan 8.280 nan 0.000 0.515 684 Y N 0.569 120.737 120.300 -0.219 0.000 2.069 684 Y HA -0.376 4.206 4.550 0.054 0.000 0.278 684 Y C 2.154 177.852 175.900 -0.337 0.000 1.175 684 Y CA 2.365 60.306 58.100 -0.266 0.000 1.134 684 Y CB -0.634 37.663 38.460 -0.272 0.000 0.965 684 Y HN 0.139 nan 8.280 nan 0.000 0.498 685 L N -1.113 120.024 121.223 -0.143 0.000 2.093 685 L HA -0.262 4.110 4.340 0.053 0.000 0.208 685 L C 2.429 179.169 176.870 -0.218 0.000 1.085 685 L CA 1.390 56.124 54.840 -0.177 0.000 0.755 685 L CB -0.535 41.376 42.059 -0.246 0.000 0.904 685 L HN 0.312 nan 8.230 nan 0.000 0.435 686 M N -0.580 118.832 119.600 -0.313 0.000 2.117 686 M HA -0.216 4.296 4.480 0.053 0.000 0.262 686 M C 2.255 178.287 176.300 -0.447 0.000 1.065 686 M CA 1.698 56.805 55.300 -0.322 0.000 1.114 686 M CB -0.365 32.044 32.600 -0.317 0.000 1.361 686 M HN 0.229 nan 8.290 nan 0.000 0.408 687 E N 0.686 120.435 120.200 -0.752 0.000 2.047 687 E HA -0.165 4.217 4.350 0.053 0.000 0.191 687 E C 2.032 178.266 176.600 -0.610 0.000 0.987 687 E CA 1.214 57.135 56.400 -0.798 0.000 0.799 687 E CB 0.009 29.193 29.700 -0.860 0.000 0.752 687 E HN 0.447 nan 8.360 nan 0.000 0.449 688 A N 0.396 122.976 122.820 -0.400 0.000 1.908 688 A HA -0.226 4.126 4.320 0.053 0.000 0.218 688 A C 2.056 179.529 177.584 -0.186 0.000 1.181 688 A CA 1.619 53.515 52.037 -0.235 0.000 0.627 688 A CB -0.971 17.949 19.000 -0.133 0.000 0.818 688 A HN 0.576 nan 8.150 nan 0.000 0.445 689 Y N 0.449 120.583 120.300 -0.277 0.000 2.114 689 Y HA -0.213 4.369 4.550 0.054 0.000 0.284 689 Y C 2.428 178.196 175.900 -0.221 0.000 1.143 689 Y CA 2.383 60.352 58.100 -0.218 0.000 1.135 689 Y CB -0.335 38.012 38.460 -0.188 0.000 0.980 689 Y HN 0.317 nan 8.280 nan 0.000 0.499 690 K N -0.531 119.745 120.400 -0.207 0.000 2.089 690 K HA -0.267 4.085 4.320 0.053 0.000 0.210 690 K C 1.242 177.709 176.600 -0.220 0.000 1.048 690 K CA 2.258 58.390 56.287 -0.257 0.000 0.926 690 K CB -0.514 31.784 32.500 -0.336 0.000 0.714 690 K HN 0.606 nan 8.250 nan 0.000 0.448 691 H N 0.232 119.182 119.070 -0.201 0.000 2.566 691 H HA 0.167 4.756 4.556 0.054 0.000 0.280 691 H C -0.010 175.159 175.328 -0.265 0.000 1.042 691 H CA 0.246 56.173 56.048 -0.201 0.000 1.168 691 H CB 0.040 29.681 29.762 -0.201 0.000 1.340 691 H HN 0.150 nan 8.280 nan 0.000 0.597 692 L N -0.158 120.917 121.223 -0.247 0.000 4.140 692 L HA -0.268 4.104 4.340 0.053 0.000 0.406 692 L C -0.316 176.299 176.870 -0.424 0.000 1.175 692 L CA 0.548 55.155 54.840 -0.388 0.000 0.939 692 L CB -1.686 40.133 42.059 -0.400 0.000 2.105 692 L HN 0.316 nan 8.230 nan 0.000 0.803 693 K N 0.931 121.144 120.400 -0.312 0.000 2.174 693 K HA 0.463 4.815 4.320 0.053 0.000 0.275 693 K C -2.126 174.337 176.600 -0.228 0.000 1.015 693 K CA -1.801 54.322 56.287 -0.273 0.000 0.933 693 K CB 0.701 33.092 32.500 -0.181 0.000 1.025 693 K HN -0.216 nan 8.250 nan 0.000 0.463 694 P HA 0.030 nan 4.420 nan 0.000 0.264 694 P C -0.784 176.450 177.300 -0.109 0.000 1.193 694 P CA 0.473 63.472 63.100 -0.167 0.000 0.763 694 P CB 0.377 31.976 31.700 -0.168 0.000 0.810 695 I N 2.032 122.550 120.570 -0.086 0.000 2.545 695 I HA 0.630 4.832 4.170 0.053 0.000 0.292 695 I C -0.322 175.749 176.117 -0.076 0.000 1.040 695 I CA -0.789 60.481 61.300 -0.050 0.000 1.068 695 I CB 2.233 40.231 38.000 -0.004 0.000 1.251 695 I HN 0.255 nan 8.210 nan 0.000 0.424 696 A N 7.443 130.227 122.820 -0.060 0.000 2.356 696 A HA 0.909 5.261 4.320 0.053 0.000 0.310 696 A C -1.197 176.486 177.584 0.165 0.000 1.075 696 A CA -0.434 51.544 52.037 -0.099 0.000 0.746 696 A CB 1.032 19.815 19.000 -0.362 0.000 1.221 696 A HN 0.646 nan 8.150 nan 0.000 0.443 697 L N 1.943 123.330 121.223 0.273 0.000 2.381 697 L HA 0.764 5.136 4.340 0.053 0.000 0.274 697 L C 0.167 177.241 176.870 0.339 0.000 0.988 697 L CA -0.588 54.421 54.840 0.280 0.000 0.824 697 L CB 2.087 44.254 42.059 0.179 0.000 1.263 697 L HN 0.790 nan 8.230 nan 0.000 0.410 698 A N 2.010 124.926 122.820 0.159 0.000 2.350 698 A HA 0.869 5.221 4.320 0.053 0.000 0.324 698 A C 0.610 178.174 177.584 -0.033 0.000 1.118 698 A CA 0.218 52.214 52.037 -0.069 0.000 0.783 698 A CB 1.294 20.075 19.000 -0.366 0.000 1.236 698 A HN 0.992 nan 8.150 nan 0.000 0.457 699 G N 1.710 110.480 108.800 -0.050 0.000 2.672 699 G HA2 -0.366 3.626 3.960 0.053 0.000 0.324 699 G HA3 -0.366 3.626 3.960 0.053 0.000 0.324 699 G C 0.619 175.515 174.900 -0.007 0.000 1.286 699 G CA 1.081 46.162 45.100 -0.031 0.000 1.004 699 G HN 0.744 nan 8.290 nan 0.000 0.548 700 D N 1.359 121.751 120.400 -0.013 0.000 2.350 700 D HA 0.264 4.936 4.640 0.053 0.000 0.216 700 D C 2.594 178.884 176.300 -0.016 0.000 0.968 700 D CA 1.526 55.512 54.000 -0.024 0.000 0.894 700 D CB -0.637 40.145 40.800 -0.031 0.000 0.909 700 D HN 0.753 nan 8.370 nan 0.000 0.520 701 A N 0.335 123.183 122.820 0.048 0.000 2.070 701 A HA -0.178 4.175 4.320 0.053 0.000 0.220 701 A C 2.028 179.698 177.584 0.144 0.000 1.159 701 A CA 0.867 52.996 52.037 0.154 0.000 0.656 701 A CB -0.349 18.765 19.000 0.189 0.000 0.800 701 A HN 0.165 nan 8.150 nan 0.000 0.453 702 R N -0.695 119.846 120.500 0.068 0.000 2.293 702 R HA -0.065 4.307 4.340 0.053 0.000 0.219 702 R C 1.356 177.652 176.300 -0.006 0.000 1.091 702 R CA 0.926 57.057 56.100 0.052 0.000 1.004 702 R CB -0.108 30.215 30.300 0.038 0.000 0.865 702 R HN 0.187 nan 8.270 nan 0.000 0.469 703 K N 0.022 120.368 120.400 -0.091 0.000 2.360 703 K HA -0.107 4.245 4.320 0.053 0.000 0.201 703 K C 1.109 177.556 176.600 -0.255 0.000 1.046 703 K CA 1.233 57.397 56.287 -0.205 0.000 0.940 703 K CB -0.234 32.072 32.500 -0.322 0.000 0.748 703 K HN 0.215 nan 8.250 nan 0.000 0.465 704 F N 0.557 120.483 119.950 -0.040 0.000 2.661 704 F HA -0.008 4.551 4.527 0.054 0.000 0.298 704 F C 1.628 177.379 175.800 -0.082 0.000 1.137 704 F CA 0.416 58.380 58.000 -0.060 0.000 1.454 704 F CB 0.089 39.053 39.000 -0.060 0.000 1.103 704 F HN -0.057 nan 8.300 nan 0.000 0.577 705 K N 0.289 120.729 120.400 0.067 0.000 2.281 705 K HA -0.181 4.171 4.320 0.053 0.000 0.203 705 K C 2.194 178.767 176.600 -0.046 0.000 1.046 705 K CA 1.037 57.320 56.287 -0.007 0.000 0.938 705 K CB -0.265 32.228 32.500 -0.012 0.000 0.737 705 K HN 0.263 nan 8.250 nan 0.000 0.458 706 A N 0.639 123.440 122.820 -0.031 0.000 1.968 706 A HA -0.087 4.265 4.320 0.053 0.000 0.217 706 A C 2.062 179.619 177.584 -0.044 0.000 1.169 706 A CA 1.520 53.531 52.037 -0.044 0.000 0.638 706 A CB -0.542 18.430 19.000 -0.046 0.000 0.812 706 A HN 0.219 nan 8.150 nan 0.000 0.446 707 T N 0.763 115.310 114.554 -0.011 0.000 2.962 707 T HA -0.024 4.358 4.350 0.053 0.000 0.270 707 T C 1.436 176.072 174.700 -0.107 0.000 1.088 707 T CA 1.395 63.485 62.100 -0.016 0.000 1.127 707 T CB -0.432 68.470 68.868 0.057 0.000 0.883 707 T HN 0.723 nan 8.240 nan 0.000 0.493 708 I N -2.599 117.855 120.570 -0.195 0.000 3.941 708 I HA 0.392 4.594 4.170 0.053 0.000 0.335 708 I C -0.443 175.433 176.117 -0.401 0.000 1.402 708 I CA -0.539 60.502 61.300 -0.432 0.000 1.112 708 I CB 0.066 37.601 38.000 -0.775 0.000 1.043 708 I HN -0.170 nan 8.210 nan 0.000 0.395 709 K N 2.048 122.327 120.400 -0.201 0.000 3.150 709 K HA -0.113 4.239 4.320 0.053 0.000 0.267 709 K C -0.312 176.219 176.600 -0.115 0.000 1.028 709 K CA 0.537 56.749 56.287 -0.124 0.000 0.753 709 K CB -1.812 30.637 32.500 -0.085 0.000 1.288 709 K HN 0.456 nan 8.250 nan 0.000 0.473 710 I N 0.527 121.026 120.570 -0.119 0.000 2.342 710 I HA 0.235 4.437 4.170 0.053 0.000 0.291 710 I C 1.332 177.428 176.117 -0.035 0.000 1.010 710 I CA -0.991 60.266 61.300 -0.072 0.000 1.308 710 I CB 0.818 38.774 38.000 -0.073 0.000 1.400 710 I HN 0.230 nan 8.210 nan 0.000 0.488 711 A N 5.133 127.943 122.820 -0.016 0.000 2.483 711 A HA 0.058 4.410 4.320 0.053 0.000 0.238 711 A C 1.194 178.774 177.584 -0.007 0.000 1.070 711 A CA -0.203 51.829 52.037 -0.009 0.000 0.770 711 A CB 0.079 19.079 19.000 -0.001 0.000 1.008 711 A HN 0.766 nan 8.150 nan 0.000 0.497 712 D N 1.004 121.400 120.400 -0.007 0.000 2.170 712 D HA -0.249 4.424 4.640 0.053 0.000 0.193 712 D C 1.899 178.199 176.300 0.001 0.000 1.004 712 D CA 2.407 56.405 54.000 -0.005 0.000 0.860 712 D CB -0.210 40.587 40.800 -0.005 0.000 0.931 712 D HN 0.862 nan 8.370 nan 0.000 0.448 713 Q N 0.178 119.979 119.800 0.002 0.000 2.541 713 Q HA 0.258 4.630 4.340 0.053 0.000 0.215 713 Q C 1.128 177.132 176.000 0.007 0.000 0.977 713 Q CA 0.652 56.458 55.803 0.005 0.000 0.934 713 Q CB -0.072 28.669 28.738 0.005 0.000 0.988 713 Q HN 0.188 nan 8.270 nan 0.000 0.521 714 G N 0.681 109.485 108.800 0.007 0.000 2.760 714 G HA2 -0.260 3.732 3.960 0.053 0.000 0.246 714 G HA3 -0.260 3.732 3.960 0.053 0.000 0.246 714 G C -1.094 173.812 174.900 0.011 0.000 1.359 714 G CA -0.219 44.886 45.100 0.009 0.000 0.861 714 G HN 0.419 nan 8.290 nan 0.000 0.541 715 E N -0.711 119.496 120.200 0.012 0.000 2.381 715 E HA 0.365 4.747 4.350 0.053 0.000 0.286 715 E C -0.562 176.038 176.600 0.000 0.000 0.960 715 E CA -0.757 55.653 56.400 0.016 0.000 0.793 715 E CB 0.954 30.681 29.700 0.045 0.000 1.225 715 E HN 0.488 nan 8.360 nan 0.000 0.420 716 E N 1.542 121.735 120.200 -0.013 0.000 2.480 716 E HA 0.144 4.526 4.350 0.053 0.000 0.258 716 E C 0.769 177.332 176.600 -0.062 0.000 0.984 716 E CA 1.658 58.035 56.400 -0.038 0.000 0.930 716 E CB 0.982 30.658 29.700 -0.039 0.000 0.936 716 E HN 0.885 nan 8.360 nan 0.000 0.466 717 G N 3.076 111.825 108.800 -0.085 0.000 2.194 717 G HA2 -0.214 3.778 3.960 0.053 0.000 0.236 717 G HA3 -0.214 3.778 3.960 0.053 0.000 0.236 717 G C 0.184 175.035 174.900 -0.081 0.000 0.987 717 G CA -0.270 44.760 45.100 -0.117 0.000 0.635 717 G HN 0.424 nan 8.290 nan 0.000 0.520 718 I N 1.849 122.393 120.570 -0.043 0.000 2.355 718 I HA 0.491 4.693 4.170 0.053 0.000 0.288 718 I C 0.361 176.441 176.117 -0.063 0.000 0.999 718 I CA -1.178 60.106 61.300 -0.027 0.000 1.163 718 I CB 1.359 39.373 38.000 0.023 0.000 1.316 718 I HN -0.109 nan 8.210 nan 0.000 0.454 719 V N 7.402 127.242 119.914 -0.123 0.000 2.407 719 V HA 0.415 4.567 4.120 0.053 0.000 0.278 719 V C 0.173 176.216 176.094 -0.085 0.000 1.037 719 V CA -0.505 61.676 62.300 -0.199 0.000 0.900 719 V CB 1.415 32.961 31.823 -0.463 0.000 0.983 719 V HN 0.843 nan 8.190 nan 0.000 0.459 720 E N 4.238 124.468 120.200 0.050 0.000 2.356 720 E HA 0.896 5.278 4.350 0.053 0.000 0.275 720 E C -0.991 175.774 176.600 0.274 0.000 0.904 720 E CA -1.032 55.496 56.400 0.214 0.000 0.757 720 E CB 2.737 32.507 29.700 0.116 0.000 1.232 720 E HN 0.756 nan 8.360 nan 0.000 0.442 721 A N 1.828 124.827 122.820 0.298 0.000 2.601 721 A HA 0.358 4.710 4.320 0.053 0.000 0.291 721 A C -0.488 177.114 177.584 0.030 0.000 1.075 721 A CA -0.620 51.516 52.037 0.165 0.000 0.671 721 A CB 1.388 20.528 19.000 0.235 0.000 1.277 721 A HN 0.597 nan 8.150 nan 0.000 0.417 722 D N 0.498 120.896 120.400 -0.004 0.000 2.149 722 D HA -0.001 4.671 4.640 0.053 0.000 0.198 722 D C 1.148 177.391 176.300 -0.096 0.000 0.990 722 D CA 2.528 56.506 54.000 -0.037 0.000 0.839 722 D CB 0.078 40.862 40.800 -0.027 0.000 0.948 722 D HN 0.807 nan 8.370 nan 0.000 0.460 723 S N -2.235 113.369 115.700 -0.159 0.000 2.671 723 S HA 0.666 5.168 4.470 0.053 0.000 0.277 723 S C 0.081 174.372 174.600 -0.514 0.000 1.165 723 S CA -0.387 57.654 58.200 -0.264 0.000 0.822 723 S CB 1.710 64.813 63.200 -0.162 0.000 1.150 723 S HN -0.043 nan 8.310 nan 0.000 0.479 724 A N 0.791 123.255 122.820 -0.592 0.000 2.310 724 A HA 0.303 4.655 4.320 0.053 0.000 0.230 724 A C 0.632 178.074 177.584 -0.237 0.000 1.294 724 A CA 0.391 51.976 52.037 -0.755 0.000 0.898 724 A CB -2.042 16.657 19.000 -0.502 0.000 0.917 724 A HN 0.992 nan 8.150 nan 0.000 0.491 725 D N -0.967 119.350 120.400 -0.139 0.000 2.027 725 D HA 0.031 4.703 4.640 0.053 0.000 0.227 725 D C 1.355 177.696 176.300 0.068 0.000 1.419 725 D CA 0.868 54.859 54.000 -0.015 0.000 0.910 725 D CB -0.109 40.691 40.800 0.000 0.000 1.499 725 D HN 0.014 nan 8.370 nan 0.000 0.569 726 G N -1.658 107.177 108.800 0.060 0.000 2.396 726 G HA2 -0.214 3.778 3.960 0.053 0.000 0.214 726 G HA3 -0.214 3.778 3.960 0.053 0.000 0.214 726 G C 1.618 176.570 174.900 0.086 0.000 1.166 726 G CA 0.859 45.999 45.100 0.066 0.000 0.793 726 G HN 0.545 nan 8.290 nan 0.000 0.533 727 S N 0.003 115.756 115.700 0.088 0.000 2.356 727 S HA -0.148 4.354 4.470 0.053 0.000 0.223 727 S C 2.114 176.784 174.600 0.117 0.000 1.032 727 S CA 1.522 59.771 58.200 0.082 0.000 1.005 727 S CB -0.475 62.766 63.200 0.069 0.000 0.867 727 S HN 0.349 nan 8.310 nan 0.000 0.449 728 F N 1.979 121.927 119.950 -0.003 0.000 2.091 728 F HA -0.116 4.444 4.527 0.054 0.000 0.299 728 F C 2.162 177.959 175.800 -0.005 0.000 1.103 728 F CA 1.957 59.955 58.000 -0.004 0.000 1.228 728 F CB -0.323 38.676 39.000 -0.002 0.000 0.984 728 F HN 0.215 nan 8.300 nan 0.000 0.477 729 M N 0.126 119.879 119.600 0.255 0.000 2.175 729 M HA -0.155 4.357 4.480 0.053 0.000 0.264 729 M C 1.755 178.056 176.300 0.002 0.000 1.063 729 M CA 1.308 56.672 55.300 0.107 0.000 1.119 729 M CB -1.355 31.333 32.600 0.146 0.000 1.377 729 M HN 0.125 nan 8.290 nan 0.000 0.415 730 D N 0.505 120.913 120.400 0.014 0.000 2.117 730 D HA -0.137 4.535 4.640 0.053 0.000 0.197 730 D C 1.982 178.256 176.300 -0.043 0.000 0.987 730 D CA 1.140 55.135 54.000 -0.009 0.000 0.829 730 D CB -0.119 40.684 40.800 0.005 0.000 0.961 730 D HN 0.465 nan 8.370 nan 0.000 0.460 731 E N 0.414 120.573 120.200 -0.068 0.000 2.051 731 E HA -0.113 4.269 4.350 0.053 0.000 0.192 731 E C 2.152 178.667 176.600 -0.142 0.000 0.991 731 E CA 0.193 56.532 56.400 -0.101 0.000 0.799 731 E CB -0.060 29.567 29.700 -0.122 0.000 0.748 731 E HN 0.137 nan 8.360 nan 0.000 0.449 732 L N 1.015 122.114 121.223 -0.207 0.000 1.989 732 L HA -0.219 4.153 4.340 0.053 0.000 0.211 732 L C 2.262 179.060 176.870 -0.120 0.000 1.071 732 L CA 1.700 56.417 54.840 -0.206 0.000 0.749 732 L CB -0.507 41.396 42.059 -0.259 0.000 0.890 732 L HN 0.263 nan 8.230 nan 0.000 0.431 733 L N -0.740 120.433 121.223 -0.082 0.000 2.131 733 L HA -0.221 4.151 4.340 0.053 0.000 0.210 733 L C 2.444 179.287 176.870 -0.046 0.000 1.092 733 L CA 1.463 56.273 54.840 -0.051 0.000 0.759 733 L CB -0.690 41.351 42.059 -0.030 0.000 0.903 733 L HN 0.287 nan 8.230 nan 0.000 0.435 734 T N 0.099 114.621 114.554 -0.052 0.000 2.746 734 T HA -0.143 4.239 4.350 0.053 0.000 0.267 734 T C 1.948 176.615 174.700 -0.056 0.000 1.039 734 T CA 1.160 63.235 62.100 -0.042 0.000 1.142 734 T CB -0.183 68.662 68.868 -0.039 0.000 0.866 734 T HN 0.200 nan 8.240 nan 0.000 0.444 735 L N 0.273 121.443 121.223 -0.088 0.000 2.046 735 L HA -0.063 4.309 4.340 0.053 0.000 0.208 735 L C 2.691 179.494 176.870 -0.113 0.000 1.077 735 L CA 1.276 56.044 54.840 -0.120 0.000 0.747 735 L CB -0.534 41.432 42.059 -0.154 0.000 0.896 735 L HN 0.297 nan 8.230 nan 0.000 0.432 736 M N -0.737 118.812 119.600 -0.084 0.000 2.213 736 M HA -0.178 4.334 4.480 0.053 0.000 0.263 736 M C 2.410 178.708 176.300 -0.003 0.000 1.062 736 M CA 1.683 56.953 55.300 -0.051 0.000 1.105 736 M CB -0.460 32.117 32.600 -0.037 0.000 1.385 736 M HN 0.323 nan 8.290 nan 0.000 0.417 737 A N 0.056 122.875 122.820 -0.001 0.000 2.067 737 A HA 0.086 4.438 4.320 0.053 0.000 0.219 737 A C 2.101 179.725 177.584 0.067 0.000 1.158 737 A CA 1.633 53.690 52.037 0.034 0.000 0.661 737 A CB -0.544 18.471 19.000 0.025 0.000 0.801 737 A HN 0.496 nan 8.150 nan 0.000 0.452 738 A N -2.797 120.041 122.820 0.029 0.000 2.308 738 A HA 0.398 4.750 4.320 0.053 0.000 0.217 738 A C 0.859 178.452 177.584 0.015 0.000 1.216 738 A CA 1.167 53.232 52.037 0.046 0.000 0.864 738 A CB -0.363 18.623 19.000 -0.022 0.000 0.902 738 A HN 0.963 nan 8.150 nan 0.000 0.499 739 H N -1.382 117.611 119.070 -0.127 0.000 4.823 739 H HA -0.170 4.418 4.556 0.054 0.000 0.064 739 H C 0.000 175.098 175.328 -0.384 0.000 0.599 739 H CA 2.285 58.242 56.048 -0.150 0.000 0.956 739 H CB -0.620 29.156 29.762 0.024 0.000 0.432 739 H HN 0.437 nan 8.280 nan 0.000 0.798 740 R N -0.315 119.603 120.500 -0.971 0.000 2.799 740 R HA 0.630 5.003 4.340 0.053 0.000 0.270 740 R C -0.793 174.666 176.300 -1.402 0.000 1.010 740 R CA -0.285 55.026 56.100 -1.316 0.000 0.916 740 R CB 1.795 30.976 30.300 -1.865 0.000 1.228 740 R HN 0.070 nan 8.270 nan 0.000 0.469 741 V N 2.428 121.739 119.914 -1.005 0.000 2.218 741 V HA 0.130 4.282 4.120 0.053 0.000 0.261 741 V C 0.611 176.337 176.094 -0.613 0.000 1.142 741 V CA -0.472 61.413 62.300 -0.691 0.000 0.965 741 V CB -0.076 31.484 31.823 -0.439 0.000 1.190 741 V HN 0.716 nan 8.190 nan 0.000 0.478 742 W N 1.582 122.597 121.300 -0.474 0.000 2.374 742 W HA -0.177 4.515 4.660 0.053 0.000 0.288 742 W C 2.525 178.832 176.519 -0.353 0.000 1.218 742 W CA 0.888 57.859 57.345 -0.623 0.000 1.245 742 W CB -0.481 28.177 29.460 -1.336 0.000 1.126 742 W HN 0.646 nan 8.180 nan 0.000 0.545 743 S N 0.813 116.472 115.700 -0.067 0.000 2.465 743 S HA -0.196 4.306 4.470 0.053 0.000 0.241 743 S C 1.692 176.257 174.600 -0.058 0.000 1.000 743 S CA 1.065 59.244 58.200 -0.034 0.000 0.964 743 S CB -0.491 62.690 63.200 -0.033 0.000 0.763 743 S HN 0.412 nan 8.310 nan 0.000 0.512 744 R N 0.602 121.025 120.500 -0.129 0.000 2.276 744 R HA 0.244 4.616 4.340 0.053 0.000 0.203 744 R C 1.778 178.012 176.300 -0.110 0.000 1.017 744 R CA 0.415 56.416 56.100 -0.165 0.000 1.010 744 R CB -0.351 29.741 30.300 -0.347 0.000 0.900 744 R HN 0.490 nan 8.270 nan 0.000 0.469 745 I N 1.555 122.102 120.570 -0.039 0.000 2.208 745 I HA -0.203 3.999 4.170 0.053 0.000 0.245 745 I C -0.840 175.301 176.117 0.039 0.000 1.097 745 I CA 1.173 62.490 61.300 0.027 0.000 1.363 745 I CB -0.677 37.386 38.000 0.105 0.000 1.051 745 I HN 0.140 nan 8.210 nan 0.000 0.413 746 P HA -0.080 nan 4.420 nan 0.000 0.237 746 P C 0.980 178.309 177.300 0.048 0.000 1.178 746 P CA 1.034 64.163 63.100 0.049 0.000 0.766 746 P CB -0.046 31.682 31.700 0.047 0.000 0.876 747 K N -0.056 120.367 120.400 0.040 0.000 2.314 747 K HA 0.088 4.440 4.320 0.053 0.000 0.198 747 K C 1.961 178.625 176.600 0.106 0.000 1.045 747 K CA 0.761 57.097 56.287 0.082 0.000 0.988 747 K CB -0.324 32.254 32.500 0.129 0.000 0.783 747 K HN 0.295 nan 8.250 nan 0.000 0.484 748 I N -0.876 119.726 120.570 0.055 0.000 2.676 748 I HA -0.130 4.072 4.170 0.053 0.000 0.259 748 I C 1.145 177.306 176.117 0.073 0.000 1.194 748 I CA 1.207 62.544 61.300 0.061 0.000 1.473 748 I CB -0.194 37.796 38.000 -0.018 0.000 1.096 748 I HN -0.105 nan 8.210 nan 0.000 0.443 749 D N 2.334 122.776 120.400 0.070 0.000 2.190 749 D HA -0.183 4.489 4.640 0.053 0.000 0.200 749 D C 1.895 178.233 176.300 0.064 0.000 0.992 749 D CA 1.491 55.532 54.000 0.070 0.000 0.854 749 D CB 0.006 40.847 40.800 0.068 0.000 0.936 749 D HN 0.446 nan 8.370 nan 0.000 0.462 750 K N 0.152 120.590 120.400 0.064 0.000 2.314 750 K HA 0.178 4.530 4.320 0.053 0.000 0.198 750 K C 0.997 177.626 176.600 0.049 0.000 1.045 750 K CA -0.172 56.146 56.287 0.053 0.000 0.988 750 K CB 0.475 33.005 32.500 0.049 0.000 0.783 750 K HN 0.160 nan 8.250 nan 0.000 0.484 751 I N 3.668 124.275 120.570 0.062 0.000 2.517 751 I HA 0.095 4.297 4.170 0.053 0.000 0.285 751 I C -2.226 173.917 176.117 0.044 0.000 1.106 751 I CA -2.170 59.159 61.300 0.048 0.000 1.402 751 I CB 0.816 38.860 38.000 0.074 0.000 1.399 751 I HN 0.005 nan 8.210 nan 0.000 0.535 752 P HA 0.380 nan 4.420 nan 0.000 0.262 752 P C -1.022 176.330 177.300 0.087 0.000 1.620 752 P CA -0.107 63.027 63.100 0.056 0.000 1.089 752 P CB 0.648 32.377 31.700 0.048 0.000 1.601 753 A N 0.000 122.872 122.820 0.087 0.000 2.254 753 A HA 0.000 4.352 4.320 0.053 0.000 0.244 753 A CA 0.000 52.133 52.037 0.160 0.000 0.836 753 A CB 0.000 18.953 19.000 -0.079 0.000 0.831 753 A HN 0.000 nan 8.150 nan 0.000 0.486