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 1tzl_1_D DATA FIRST_RESID 44 DATA SEQUENCE DIKYDVVIVG SGPIGCTYAR ELVGAGYKVA XFDIGEIDSG LKIGAHKKNT DATA SEQUENCE VEYQKNIDKF VNVIQGQLXS VSVPVNTLVV DTLSPTSWQA STFFVRNGSN DATA SEQUENCE PEQDPLRNLS GQAVTRVVGG XSTHWTCATP RFDREQRPLL VKDDADADDA DATA SEQUENCE EWDRLYTKAE SYFQTGTDQF KESIRHNLVL NKLAEEYKGQ RDFQQIPLAA DATA SEQUENCE TRRSPTFVEW SSANTVFDLQ NRPNTDAPEE RFNLFPAVAC ERVVRNALNS DATA SEQUENCE EIESLHIHDL ISGDRFEIKA DVYVLTAGAV HNTQLLVNSG FGQLGRPNPT DATA SEQUENCE NPPELLPSLG SYITEQSLVF CQTVXSTELI DSVKSDXTIR GTPGELTYSV DATA SEQUENCE TYTPGASTNK HPDWWNEKVK NHXXQHQEDP LPIPFEDPEP QVTTLFQPSH DATA SEQUENCE PWHTQIHRDA FSYGAVQQSI DSRLIVDWRF FGRTEPKEEN KLWFSDKITD DATA SEQUENCE AYNXPQPTFD FRFPAGRTSK EAEDXXTDXC VXSAKIGGFL PGSLPQFXEP DATA SEQUENCE GLVLHLGGTH RXGFDEKEDN CCVNTDSRVF GFKNLFLGGC GNIPTAYGAN DATA SEQUENCE PTLTAXSLAI KSCEYIKQNF TPSPFT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 44 D HA 0.000 nan 4.640 nan 0.000 0.175 44 D C 0.000 176.265 176.300 -0.058 0.000 2.045 44 D CA 0.000 53.982 54.000 -0.030 0.000 0.868 44 D CB 0.000 40.805 40.800 0.009 0.000 0.688 45 I N 0.094 120.584 120.570 -0.134 0.000 3.136 45 I HA 0.224 4.394 4.170 0.000 0.000 0.262 45 I C 0.086 176.136 176.117 -0.112 0.000 1.132 45 I CA 0.863 62.116 61.300 -0.079 0.000 1.450 45 I CB 0.195 38.163 38.000 -0.054 0.000 1.315 45 I HN 0.388 nan 8.210 nan 0.000 0.460 46 K N 0.383 120.595 120.400 -0.314 0.000 2.471 46 K HA 0.399 4.719 4.320 0.000 0.000 0.252 46 K C -1.981 174.332 176.600 -0.479 0.000 0.938 46 K CA -0.318 55.824 56.287 -0.241 0.000 0.796 46 K CB 1.348 33.776 32.500 -0.120 0.000 1.161 46 K HN -0.056 nan 8.250 nan 0.000 0.425 47 Y N 1.709 122.009 120.300 -0.001 0.000 2.524 47 Y HA 0.255 4.805 4.550 0.000 0.000 0.344 47 Y C 0.684 176.565 175.900 -0.033 0.000 1.012 47 Y CA -0.699 57.390 58.100 -0.019 0.000 1.068 47 Y CB 1.985 40.426 38.460 -0.032 0.000 1.249 47 Y HN 0.684 nan 8.280 nan 0.000 0.468 48 D N 0.449 120.949 120.400 0.167 0.000 2.084 48 D HA -0.022 4.618 4.640 0.000 0.000 0.196 48 D C -0.241 176.062 176.300 0.005 0.000 0.985 48 D CA 1.605 55.681 54.000 0.127 0.000 0.826 48 D CB 0.206 41.152 40.800 0.243 0.000 0.978 48 D HN 0.137 nan 8.370 nan 0.000 0.456 49 V N 0.725 120.631 119.914 -0.013 0.000 2.656 49 V HA 0.414 4.534 4.120 0.000 0.000 0.307 49 V C -0.242 175.745 176.094 -0.178 0.000 1.051 49 V CA -0.801 61.395 62.300 -0.172 0.000 0.893 49 V CB 2.802 34.500 31.823 -0.209 0.000 0.999 49 V HN -0.245 nan 8.190 nan 0.000 0.426 50 V N 5.731 125.497 119.914 -0.247 0.000 2.540 50 V HA 0.576 4.696 4.120 0.000 0.000 0.302 50 V C -0.553 175.470 176.094 -0.118 0.000 1.035 50 V CA -0.369 61.828 62.300 -0.171 0.000 0.873 50 V CB 1.935 33.712 31.823 -0.076 0.000 0.992 50 V HN 0.727 nan 8.190 nan 0.000 0.428 51 I N 4.867 125.380 120.570 -0.094 0.000 2.433 51 I HA 0.476 4.646 4.170 0.000 0.000 0.292 51 I C -0.499 175.632 176.117 0.022 0.000 1.001 51 I CA -0.900 60.349 61.300 -0.085 0.000 1.119 51 I CB 2.127 40.058 38.000 -0.115 0.000 1.289 51 I HN 0.224 nan 8.210 nan 0.000 0.438 52 V N 5.432 125.355 119.914 0.015 0.000 2.348 52 V HA 0.792 4.912 4.120 0.000 0.000 0.270 52 V C 0.476 176.573 176.094 0.006 0.000 1.037 52 V CA -0.227 62.103 62.300 0.050 0.000 0.872 52 V CB 0.499 32.331 31.823 0.014 0.000 1.002 52 V HN 1.069 nan 8.190 nan 0.000 0.464 53 G N 3.948 112.764 108.800 0.028 0.000 3.069 53 G HA2 -0.023 3.937 3.960 0.000 0.000 0.686 53 G HA3 -0.023 3.937 3.960 0.000 0.000 0.686 53 G C -0.075 174.836 174.900 0.018 0.000 1.161 53 G CA -0.249 44.858 45.100 0.012 0.000 0.804 53 G HN 1.329 nan 8.290 nan 0.000 0.608 54 S N 1.278 116.992 115.700 0.024 0.000 2.562 54 S HA 0.617 5.087 4.470 0.000 0.000 0.246 54 S C 1.246 175.855 174.600 0.015 0.000 1.056 54 S CA 0.692 58.915 58.200 0.038 0.000 1.042 54 S CB 0.487 63.725 63.200 0.064 0.000 0.822 54 S HN 1.956 nan 8.310 nan 0.000 0.465 55 G N 2.545 111.341 108.800 -0.008 0.000 2.611 55 G HA2 0.401 4.361 3.960 0.000 0.000 0.273 55 G HA3 0.401 4.361 3.960 0.000 0.000 0.273 55 G C -1.159 173.708 174.900 -0.055 0.000 1.305 55 G CA -1.336 43.738 45.100 -0.043 0.000 1.010 55 G HN 0.273 nan 8.290 nan 0.000 0.509 56 P HA -0.077 nan 4.420 nan 0.000 0.218 56 P C 1.779 178.994 177.300 -0.142 0.000 1.149 56 P CA 0.760 63.771 63.100 -0.149 0.000 0.817 56 P CB 0.167 31.750 31.700 -0.195 0.000 0.785 57 I N 0.253 120.777 120.570 -0.077 0.000 2.233 57 I HA -0.053 4.117 4.170 0.000 0.000 0.243 57 I C 2.717 178.884 176.117 0.085 0.000 1.093 57 I CA 1.553 62.850 61.300 -0.006 0.000 1.380 57 I CB -2.355 35.669 38.000 0.039 0.000 1.067 57 I HN 0.001 nan 8.210 nan 0.000 0.413 58 G N 0.142 108.970 108.800 0.046 0.000 2.442 58 G HA2 -0.250 3.710 3.960 0.000 0.000 0.219 58 G HA3 -0.250 3.710 3.960 0.000 0.000 0.219 58 G C 1.792 176.702 174.900 0.018 0.000 1.141 58 G CA 1.067 46.191 45.100 0.040 0.000 0.763 58 G HN 0.413 nan 8.290 nan 0.000 0.554 59 C N 0.373 119.659 119.300 -0.023 0.000 2.450 59 C HA 0.049 4.509 4.460 0.000 0.000 0.279 59 C C 3.194 178.089 174.990 -0.159 0.000 1.335 59 C CA 1.318 60.292 59.018 -0.073 0.000 1.749 59 C CB -0.915 26.816 27.740 -0.016 0.000 1.963 59 C HN 0.452 nan 8.230 nan 0.000 0.501 60 T N 0.184 114.663 114.554 -0.126 0.000 2.652 60 T HA -0.195 4.155 4.350 0.000 0.000 0.267 60 T C 1.469 176.048 174.700 -0.203 0.000 1.039 60 T CA 1.820 63.825 62.100 -0.158 0.000 1.153 60 T CB -0.483 68.292 68.868 -0.155 0.000 0.863 60 T HN 0.553 nan 8.240 nan 0.000 0.428 61 Y N 1.446 121.629 120.300 -0.194 0.000 2.114 61 Y HA -0.126 4.424 4.550 0.000 0.000 0.282 61 Y C 2.746 178.463 175.900 -0.304 0.000 1.165 61 Y CA 1.074 59.038 58.100 -0.227 0.000 1.148 61 Y CB -0.732 37.605 38.460 -0.205 0.000 0.972 61 Y HN 0.211 nan 8.280 nan 0.000 0.504 62 A N 0.012 122.698 122.820 -0.223 0.000 1.902 62 A HA -0.234 4.086 4.320 0.000 0.000 0.217 62 A C 2.290 179.402 177.584 -0.787 0.000 1.181 62 A CA 1.813 53.519 52.037 -0.550 0.000 0.623 62 A CB -0.748 17.758 19.000 -0.823 0.000 0.818 62 A HN 0.429 nan 8.150 nan 0.000 0.443 63 R N -0.416 119.670 120.500 -0.689 0.000 2.080 63 R HA -0.173 4.167 4.340 0.000 0.000 0.236 63 R C 2.108 178.216 176.300 -0.321 0.000 1.137 63 R CA 1.796 57.590 56.100 -0.511 0.000 0.943 63 R CB -0.279 29.736 30.300 -0.475 0.000 0.846 63 R HN 0.553 nan 8.270 nan 0.000 0.431 64 E N 0.516 120.568 120.200 -0.246 0.000 2.038 64 E HA -0.214 4.136 4.350 0.000 0.000 0.195 64 E C 2.132 178.669 176.600 -0.106 0.000 1.000 64 E CA 1.401 57.717 56.400 -0.141 0.000 0.803 64 E CB -0.197 29.411 29.700 -0.153 0.000 0.750 64 E HN 0.435 nan 8.360 nan 0.000 0.448 65 L N 0.246 121.381 121.223 -0.145 0.000 2.162 65 L HA -0.048 4.292 4.340 0.000 0.000 0.205 65 L C 2.556 179.471 176.870 0.074 0.000 1.086 65 L CA 0.253 55.050 54.840 -0.071 0.000 0.778 65 L CB -0.249 41.674 42.059 -0.227 0.000 0.928 65 L HN -0.057 nan 8.230 nan 0.000 0.446 66 V N 0.536 120.417 119.914 -0.056 0.000 2.427 66 V HA -0.174 3.946 4.120 0.000 0.000 0.248 66 V C 2.574 178.690 176.094 0.036 0.000 1.051 66 V CA 2.019 64.321 62.300 0.004 0.000 1.048 66 V CB -0.992 30.755 31.823 -0.126 0.000 0.666 66 V HN 0.557 nan 8.190 nan 0.000 0.456 67 G N -0.570 108.225 108.800 -0.009 0.000 2.421 67 G HA2 -0.075 3.885 3.960 0.000 0.000 0.217 67 G HA3 -0.075 3.885 3.960 0.000 0.000 0.217 67 G C 1.382 176.302 174.900 0.034 0.000 1.143 67 G CA 0.705 45.809 45.100 0.007 0.000 0.784 67 G HN 0.616 nan 8.290 nan 0.000 0.541 68 A N -0.182 122.688 122.820 0.084 0.000 2.327 68 A HA 0.495 4.815 4.320 0.000 0.000 0.228 68 A C 1.920 179.528 177.584 0.039 0.000 1.275 68 A CA 1.106 53.210 52.037 0.111 0.000 0.875 68 A CB -0.640 18.501 19.000 0.234 0.000 0.925 68 A HN 1.498 nan 8.150 nan 0.000 0.493 69 G N -2.007 106.815 108.800 0.036 0.000 2.176 69 G HA2 -0.314 3.646 3.960 0.000 0.000 0.253 69 G HA3 -0.314 3.646 3.960 0.000 0.000 0.253 69 G C 0.113 174.986 174.900 -0.045 0.000 0.979 69 G CA 0.315 45.397 45.100 -0.030 0.000 0.641 69 G HN 0.460 nan 8.290 nan 0.000 0.530 70 Y N 0.628 120.948 120.300 0.034 0.000 2.457 70 Y HA 0.362 4.912 4.550 0.000 0.000 0.341 70 Y C 1.171 177.113 175.900 0.070 0.000 1.240 70 Y CA 0.670 58.794 58.100 0.039 0.000 1.437 70 Y CB 0.583 39.044 38.460 0.002 0.000 1.328 70 Y HN 0.131 nan 8.280 nan 0.000 0.588 71 K N 2.501 123.036 120.400 0.225 0.000 2.263 71 K HA 0.466 4.786 4.320 0.000 0.000 0.282 71 K C -1.791 174.943 176.600 0.223 0.000 1.089 71 K CA -0.266 56.145 56.287 0.206 0.000 0.907 71 K CB 0.157 32.751 32.500 0.157 0.000 1.148 71 K HN 0.481 nan 8.250 nan 0.000 0.470 72 V N 3.690 123.699 119.914 0.157 0.000 2.417 72 V HA 0.587 4.707 4.120 0.000 0.000 0.291 72 V C 0.027 175.951 176.094 -0.283 0.000 1.024 72 V CA -0.813 61.493 62.300 0.009 0.000 0.861 72 V CB 1.067 32.945 31.823 0.091 0.000 0.985 72 V HN 0.937 nan 8.190 nan 0.000 0.436 76 D N 2.951 123.452 120.400 0.169 0.000 2.780 76 D HA 0.387 5.027 4.640 0.000 0.000 0.242 76 D C 0.507 176.831 176.300 0.040 0.000 1.135 76 D CA -0.374 53.669 54.000 0.072 0.000 0.859 76 D CB 2.676 43.501 40.800 0.042 0.000 1.530 76 D HN 0.673 nan 8.370 nan 0.000 0.493 77 I N 2.017 122.562 120.570 -0.043 0.000 2.315 77 I HA 0.024 4.194 4.170 0.000 0.000 0.248 77 I C 1.270 177.351 176.117 -0.061 0.000 1.117 77 I CA 0.830 62.061 61.300 -0.114 0.000 1.404 77 I CB 0.093 37.908 38.000 -0.308 0.000 1.071 77 I HN 0.359 nan 8.210 nan 0.000 0.419 78 G N 0.052 108.831 108.800 -0.035 0.000 2.588 78 G HA2 0.280 4.240 3.960 0.000 0.000 0.281 78 G HA3 0.280 4.240 3.960 0.000 0.000 0.281 78 G C -0.661 174.257 174.900 0.030 0.000 1.236 78 G CA -0.386 44.719 45.100 0.009 0.000 0.969 78 G HN 0.329 nan 8.290 nan 0.000 0.504 79 E N -1.437 118.787 120.200 0.040 0.000 2.264 79 E HA 0.374 4.724 4.350 0.000 0.000 0.260 79 E C -0.265 176.360 176.600 0.042 0.000 0.961 79 E CA -0.783 55.643 56.400 0.043 0.000 0.834 79 E CB 2.187 31.915 29.700 0.046 0.000 1.230 79 E HN 0.290 nan 8.360 nan 0.000 0.412 80 I N 1.502 122.095 120.570 0.039 0.000 2.668 80 I HA -0.066 4.104 4.170 0.000 0.000 0.285 80 I C 0.294 176.440 176.117 0.048 0.000 1.168 80 I CA 1.081 62.404 61.300 0.039 0.000 1.424 80 I CB 0.212 38.231 38.000 0.031 0.000 1.377 80 I HN 0.513 nan 8.210 nan 0.000 0.560 81 D N 2.863 123.297 120.400 0.057 0.000 2.672 81 D HA 0.166 4.806 4.640 0.000 0.000 0.287 81 D C -0.016 176.337 176.300 0.088 0.000 1.559 81 D CA 0.093 54.134 54.000 0.068 0.000 0.796 81 D CB 0.568 41.408 40.800 0.065 0.000 1.181 81 D HN 0.358 nan 8.370 nan 0.000 0.458 82 S N -0.544 115.210 115.700 0.090 0.000 3.101 82 S HA 0.581 5.051 4.470 0.000 0.000 0.252 82 S C 0.531 175.199 174.600 0.115 0.000 0.920 82 S CA -0.158 58.113 58.200 0.117 0.000 1.158 82 S CB 1.221 64.492 63.200 0.117 0.000 1.125 82 S HN 0.537 nan 8.310 nan 0.000 0.608 83 G N 1.689 110.545 108.800 0.093 0.000 2.660 83 G HA2 -0.215 3.746 3.960 0.000 0.000 0.215 83 G HA3 -0.215 3.746 3.960 0.000 0.000 0.215 83 G C 0.299 175.233 174.900 0.057 0.000 1.345 83 G CA -0.301 44.847 45.100 0.079 0.000 0.877 83 G HN 0.284 nan 8.290 nan 0.000 0.549 84 L N 0.258 121.509 121.223 0.045 0.000 2.131 84 L HA 0.051 4.391 4.340 0.000 0.000 0.210 84 L C 1.621 178.502 176.870 0.018 0.000 1.092 84 L CA 1.371 56.227 54.840 0.026 0.000 0.759 84 L CB -0.459 41.610 42.059 0.017 0.000 0.903 84 L HN 0.363 nan 8.230 nan 0.000 0.435 85 K N 1.984 122.403 120.400 0.033 0.000 2.315 85 K HA 0.293 4.613 4.320 0.000 0.000 0.291 85 K C -0.339 176.280 176.600 0.031 0.000 1.074 85 K CA -0.089 56.212 56.287 0.024 0.000 0.936 85 K CB 0.775 33.304 32.500 0.048 0.000 1.049 85 K HN 0.116 nan 8.250 nan 0.000 0.471 86 I N 1.933 122.503 120.570 0.000 0.000 2.533 86 I HA -0.025 4.145 4.170 0.000 0.000 0.284 86 I C 1.289 177.418 176.117 0.020 0.000 1.109 86 I CA 0.741 62.046 61.300 0.008 0.000 1.412 86 I CB 0.462 38.455 38.000 -0.011 0.000 1.396 86 I HN 0.967 nan 8.210 nan 0.000 0.543 87 G N 4.362 113.188 108.800 0.044 0.000 2.147 87 G HA2 -0.180 3.780 3.960 0.000 0.000 0.244 87 G HA3 -0.180 3.780 3.960 0.000 0.000 0.244 87 G C 0.238 175.187 174.900 0.082 0.000 1.005 87 G CA 0.027 45.157 45.100 0.051 0.000 0.713 87 G HN 0.950 nan 8.290 nan 0.000 0.515 88 A N -0.339 122.545 122.820 0.108 0.000 2.271 88 A HA 0.652 4.972 4.320 0.000 0.000 0.288 88 A C 0.517 178.234 177.584 0.222 0.000 1.094 88 A CA -0.413 51.728 52.037 0.173 0.000 0.828 88 A CB 0.384 19.482 19.000 0.165 0.000 1.091 88 A HN 0.612 nan 8.150 nan 0.000 0.493 89 H N 0.725 119.930 119.070 0.226 0.000 2.929 89 H HA 0.087 4.643 4.556 0.000 0.000 0.317 89 H C 0.736 176.198 175.328 0.224 0.000 1.031 89 H CA 0.785 56.985 56.048 0.254 0.000 1.466 89 H CB 0.799 30.735 29.762 0.290 0.000 1.482 89 H HN 0.703 nan 8.280 nan 0.000 0.561 90 K N 3.497 124.090 120.400 0.321 0.000 2.283 90 K HA -0.083 4.237 4.320 0.000 0.000 0.202 90 K C 1.847 178.666 176.600 0.365 0.000 1.048 90 K CA 0.539 57.051 56.287 0.375 0.000 0.948 90 K CB 0.330 33.052 32.500 0.370 0.000 0.742 90 K HN 0.462 nan 8.250 nan 0.000 0.458 91 K N 0.974 121.509 120.400 0.225 0.000 2.362 91 K HA -0.046 4.274 4.320 0.000 0.000 0.200 91 K C 0.389 177.020 176.600 0.051 0.000 1.046 91 K CA 0.596 56.685 56.287 -0.331 0.000 0.952 91 K CB 0.092 32.110 32.500 -0.804 0.000 0.753 91 K HN 0.073 nan 8.250 nan 0.000 0.466 92 N N 1.879 120.719 118.700 0.235 0.000 2.542 92 N HA -0.038 4.702 4.740 0.000 0.000 0.234 92 N C -0.485 175.300 175.510 0.458 0.000 1.257 92 N CA 0.369 53.596 53.050 0.295 0.000 0.883 92 N CB 0.266 38.953 38.487 0.335 0.000 1.197 92 N HN 0.227 nan 8.380 nan 0.000 0.488 93 T N -4.559 110.249 114.554 0.423 0.000 2.918 93 T HA 0.348 4.698 4.350 0.000 0.000 0.286 93 T C 1.487 176.435 174.700 0.414 0.000 1.026 93 T CA -0.809 61.526 62.100 0.391 0.000 1.031 93 T CB 1.695 70.748 68.868 0.309 0.000 1.046 93 T HN -0.193 nan 8.240 nan 0.000 0.479 94 V N 1.370 121.462 119.914 0.297 0.000 2.282 94 V HA -0.144 3.976 4.120 0.000 0.000 0.249 94 V C 2.836 179.014 176.094 0.140 0.000 1.057 94 V CA 2.446 64.882 62.300 0.226 0.000 1.032 94 V CB -0.989 30.878 31.823 0.073 0.000 0.645 94 V HN 1.042 nan 8.190 nan 0.000 0.447 95 E N -0.364 119.862 120.200 0.044 0.000 2.085 95 E HA -0.225 4.125 4.350 0.000 0.000 0.194 95 E C 1.978 178.512 176.600 -0.109 0.000 0.994 95 E CA 1.768 58.117 56.400 -0.084 0.000 0.801 95 E CB -0.377 29.202 29.700 -0.202 0.000 0.743 95 E HN 0.695 nan 8.360 nan 0.000 0.453 96 Y N 0.450 120.815 120.300 0.109 0.000 2.373 96 Y HA 0.016 4.566 4.550 0.000 0.000 0.293 96 Y C 2.120 178.040 175.900 0.032 0.000 1.129 96 Y CA 1.151 59.299 58.100 0.080 0.000 1.226 96 Y CB -0.023 38.488 38.460 0.084 0.000 1.000 96 Y HN 0.162 nan 8.280 nan 0.000 0.549 97 Q N -0.522 119.394 119.800 0.194 0.000 2.432 97 Q HA -0.062 4.278 4.340 0.000 0.000 0.205 97 Q C 1.472 177.537 176.000 0.108 0.000 0.945 97 Q CA 0.595 56.470 55.803 0.121 0.000 0.924 97 Q CB 0.119 28.897 28.738 0.067 0.000 1.016 97 Q HN 0.381 nan 8.270 nan 0.000 0.503 98 K N 0.205 120.663 120.400 0.097 0.000 2.393 98 K HA 0.098 4.418 4.320 0.000 0.000 0.193 98 K C 0.068 176.691 176.600 0.038 0.000 1.026 98 K CA 0.282 56.605 56.287 0.061 0.000 1.064 98 K CB 0.608 33.134 32.500 0.044 0.000 0.833 98 K HN 0.061 nan 8.250 nan 0.000 0.521 99 N N 0.836 119.566 118.700 0.051 0.000 2.687 99 N HA 0.064 4.804 4.740 0.000 0.000 0.275 99 N C -0.130 175.418 175.510 0.062 0.000 1.789 99 N CA 0.027 53.095 53.050 0.031 0.000 0.806 99 N CB 1.025 39.517 38.487 0.008 0.000 1.256 99 N HN -0.037 nan 8.380 nan 0.000 0.500 100 I N 1.850 122.431 120.570 0.017 0.000 2.567 100 I HA -0.219 3.951 4.170 0.000 0.000 0.257 100 I C 1.946 177.915 176.117 -0.247 0.000 1.184 100 I CA 1.478 62.770 61.300 -0.013 0.000 1.451 100 I CB 0.060 38.074 38.000 0.023 0.000 1.089 100 I HN 0.314 nan 8.210 nan 0.000 0.441 101 D N -0.215 119.872 120.400 -0.522 0.000 2.221 101 D HA -0.233 4.407 4.640 0.000 0.000 0.204 101 D C 1.560 177.586 176.300 -0.456 0.000 0.982 101 D CA 0.794 54.145 54.000 -1.082 0.000 0.857 101 D CB -0.293 40.137 40.800 -0.617 0.000 0.934 101 D HN 0.281 nan 8.370 nan 0.000 0.475 102 K N 0.086 120.426 120.400 -0.101 0.000 2.305 102 K HA 0.015 4.335 4.320 0.000 0.000 0.199 102 K C 1.711 178.402 176.600 0.151 0.000 1.047 102 K CA -0.125 56.209 56.287 0.079 0.000 0.976 102 K CB -0.680 31.933 32.500 0.189 0.000 0.765 102 K HN 0.162 nan 8.250 nan 0.000 0.474 103 F N 1.468 121.396 119.950 -0.037 0.000 2.250 103 F HA -0.185 4.342 4.527 0.000 0.000 0.301 103 F C 2.081 177.813 175.800 -0.113 0.000 1.077 103 F CA 0.600 58.478 58.000 -0.203 0.000 1.348 103 F CB -0.261 38.592 39.000 -0.244 0.000 1.040 103 F HN -0.208 nan 8.300 nan 0.000 0.509 104 V N 0.810 120.681 119.914 -0.072 0.000 2.469 104 V HA -0.322 3.798 4.120 0.000 0.000 0.251 104 V C 2.099 178.086 176.094 -0.179 0.000 1.064 104 V CA 2.531 64.766 62.300 -0.109 0.000 1.066 104 V CB -0.522 31.239 31.823 -0.104 0.000 0.667 104 V HN 0.406 nan 8.190 nan 0.000 0.461 105 N N -0.165 118.442 118.700 -0.154 0.000 2.244 105 N HA -0.098 4.642 4.740 0.000 0.000 0.183 105 N C 1.728 177.125 175.510 -0.189 0.000 1.016 105 N CA 1.608 54.584 53.050 -0.124 0.000 0.866 105 N CB -0.175 38.283 38.487 -0.049 0.000 0.980 105 N HN 0.463 nan 8.380 nan 0.000 0.430 106 V N 1.945 121.639 119.914 -0.367 0.000 2.307 106 V HA -0.159 3.961 4.120 0.000 0.000 0.245 106 V C 2.330 178.158 176.094 -0.444 0.000 1.045 106 V CA 1.100 63.119 62.300 -0.469 0.000 1.024 106 V CB -0.368 30.920 31.823 -0.891 0.000 0.651 106 V HN 0.133 nan 8.190 nan 0.000 0.449 107 I N -0.298 119.935 120.570 -0.561 0.000 2.118 107 I HA -0.314 3.856 4.170 0.000 0.000 0.241 107 I C 2.718 178.699 176.117 -0.226 0.000 1.070 107 I CA 1.659 62.705 61.300 -0.423 0.000 1.327 107 I CB -0.558 37.279 38.000 -0.272 0.000 1.034 107 I HN 0.318 nan 8.210 nan 0.000 0.405 108 Q N 0.427 120.168 119.800 -0.098 0.000 2.170 108 Q HA -0.146 4.194 4.340 0.000 0.000 0.203 108 Q C 2.261 178.235 176.000 -0.044 0.000 0.976 108 Q CA 1.657 57.443 55.803 -0.028 0.000 0.858 108 Q CB -0.544 28.187 28.738 -0.012 0.000 0.907 108 Q HN 0.675 nan 8.270 nan 0.000 0.433 109 G N 1.288 110.046 108.800 -0.070 0.000 2.776 109 G HA2 -0.184 3.776 3.960 0.000 0.000 0.209 109 G HA3 -0.184 3.776 3.960 0.000 0.000 0.209 109 G C 0.998 175.889 174.900 -0.015 0.000 1.145 109 G CA 0.478 45.556 45.100 -0.037 0.000 0.791 109 G HN 0.482 nan 8.290 nan 0.000 0.530 110 Q N -0.911 118.874 119.800 -0.025 0.000 2.057 110 Q HA 0.428 4.768 4.340 0.000 0.000 0.216 110 Q C 0.051 176.077 176.000 0.043 0.000 0.788 110 Q CA -0.310 55.508 55.803 0.026 0.000 1.053 110 Q CB 0.079 28.851 28.738 0.057 0.000 1.210 110 Q HN 0.266 nan 8.270 nan 0.000 0.455 114 V N 1.525 121.500 119.914 0.102 0.000 2.295 114 V HA 0.044 4.164 4.120 0.000 0.000 0.246 114 V C 1.121 177.248 176.094 0.055 0.000 1.049 114 V CA 1.930 64.290 62.300 0.100 0.000 1.024 114 V CB 0.163 32.094 31.823 0.179 0.000 0.648 114 V HN 0.840 nan 8.190 nan 0.000 0.447 115 S N -0.649 115.099 115.700 0.080 0.000 2.680 115 S HA 0.476 4.946 4.470 0.000 0.000 0.262 115 S C -1.183 173.437 174.600 0.033 0.000 1.138 115 S CA -0.511 57.706 58.200 0.028 0.000 1.072 115 S CB 1.358 64.544 63.200 -0.022 0.000 1.097 115 S HN -0.007 nan 8.310 nan 0.000 0.468 116 V N 7.515 127.435 119.914 0.010 0.000 2.384 116 V HA 0.580 4.700 4.120 0.000 0.000 0.287 116 V C -1.945 174.143 176.094 -0.010 0.000 1.020 116 V CA -1.820 60.482 62.300 0.003 0.000 0.850 116 V CB 1.495 33.320 31.823 0.004 0.000 0.987 116 V HN 0.705 nan 8.190 nan 0.000 0.436 117 P HA 0.134 nan 4.420 nan 0.000 0.272 117 P C -0.137 177.145 177.300 -0.031 0.000 1.240 117 P CA -0.113 62.975 63.100 -0.020 0.000 0.791 117 P CB 0.786 32.473 31.700 -0.021 0.000 0.978 118 V N 2.248 122.145 119.914 -0.028 0.000 2.599 118 V HA -0.043 4.077 4.120 0.000 0.000 0.300 118 V C 1.285 177.328 176.094 -0.085 0.000 1.034 118 V CA 0.219 62.495 62.300 -0.040 0.000 1.115 118 V CB -0.679 31.142 31.823 -0.005 0.000 0.934 118 V HN 0.601 nan 8.190 nan 0.000 0.485 119 N N 3.555 122.195 118.700 -0.099 0.000 2.470 119 N HA 0.079 4.819 4.740 0.000 0.000 0.268 119 N C 0.692 176.037 175.510 -0.274 0.000 1.136 119 N CA 0.465 53.432 53.050 -0.138 0.000 0.961 119 N CB 1.496 39.929 38.487 -0.090 0.000 1.067 119 N HN 0.873 nan 8.380 nan 0.000 0.468 120 T N 0.595 114.888 114.554 -0.435 0.000 3.145 120 T HA 0.192 4.542 4.350 0.000 0.000 0.281 120 T C 0.641 174.934 174.700 -0.678 0.000 1.003 120 T CA -0.537 60.955 62.100 -1.013 0.000 0.901 120 T CB 0.114 68.427 68.868 -0.926 0.000 1.112 120 T HN 0.144 nan 8.240 nan 0.000 0.535 121 L N 2.685 123.743 121.223 -0.275 0.000 2.514 121 L HA 0.254 4.594 4.340 0.000 0.000 0.280 121 L C 0.365 177.262 176.870 0.044 0.000 1.223 121 L CA -0.222 54.560 54.840 -0.096 0.000 0.864 121 L CB 0.247 42.281 42.059 -0.041 0.000 1.118 121 L HN 0.157 nan 8.230 nan 0.000 0.494 122 V N 4.447 124.412 119.914 0.084 0.000 2.432 122 V HA 0.319 4.439 4.120 0.000 0.000 0.275 122 V C 0.204 176.361 176.094 0.105 0.000 1.043 122 V CA -0.615 61.785 62.300 0.168 0.000 0.925 122 V CB 1.747 33.659 31.823 0.147 0.000 0.985 122 V HN 0.451 nan 8.190 nan 0.000 0.466 123 V N 5.027 125.007 119.914 0.110 0.000 2.305 123 V HA 0.343 4.463 4.120 0.000 0.000 0.275 123 V C 0.016 176.142 176.094 0.053 0.000 1.020 123 V CA -0.460 61.883 62.300 0.071 0.000 0.811 123 V CB 1.307 33.173 31.823 0.072 0.000 1.031 123 V HN 1.064 nan 8.190 nan 0.000 0.439 124 D N 1.776 122.200 120.400 0.039 0.000 2.440 124 D HA -0.011 4.629 4.640 0.000 0.000 0.216 124 D C 1.293 177.603 176.300 0.017 0.000 1.150 124 D CA 0.358 54.372 54.000 0.023 0.000 0.832 124 D CB 0.406 41.218 40.800 0.021 0.000 0.992 124 D HN 0.550 nan 8.370 nan 0.000 0.502 125 T N -1.435 113.133 114.554 0.022 0.000 3.223 125 T HA 0.339 4.689 4.350 0.000 0.000 0.259 125 T C 0.625 175.338 174.700 0.022 0.000 1.015 125 T CA -0.561 61.551 62.100 0.019 0.000 0.908 125 T CB -0.476 68.404 68.868 0.019 0.000 1.054 125 T HN -0.009 nan 8.240 nan 0.000 0.567 126 L N 1.951 123.188 121.223 0.024 0.000 2.439 126 L HA 0.354 4.694 4.340 0.000 0.000 0.269 126 L C 1.053 177.935 176.870 0.021 0.000 1.179 126 L CA -0.614 54.244 54.840 0.029 0.000 0.828 126 L CB 0.650 42.731 42.059 0.037 0.000 1.106 126 L HN 0.216 nan 8.230 nan 0.000 0.467 127 S N 2.435 118.150 115.700 0.025 0.000 2.552 127 S HA 0.075 4.545 4.470 0.000 0.000 0.289 127 S C -1.460 173.148 174.600 0.014 0.000 1.304 127 S CA -0.960 57.252 58.200 0.020 0.000 1.063 127 S CB 0.666 63.881 63.200 0.025 0.000 0.848 127 S HN 0.410 nan 8.310 nan 0.000 0.499 128 P HA -0.059 nan 4.420 nan 0.000 0.222 128 P C 1.188 178.487 177.300 -0.001 0.000 1.142 128 P CA 0.992 64.088 63.100 -0.005 0.000 0.788 128 P CB 0.103 31.800 31.700 -0.005 0.000 0.767 129 T N -2.241 112.322 114.554 0.014 0.000 3.067 129 T HA 0.117 4.467 4.350 0.000 0.000 0.257 129 T C 0.833 175.561 174.700 0.047 0.000 1.105 129 T CA 0.240 62.355 62.100 0.025 0.000 1.104 129 T CB -0.258 68.626 68.868 0.027 0.000 0.925 129 T HN 0.002 nan 8.240 nan 0.000 0.498 130 S N 0.928 116.659 115.700 0.052 0.000 2.565 130 S HA 0.271 4.741 4.470 0.000 0.000 0.274 130 S C -0.743 173.933 174.600 0.126 0.000 1.309 130 S CA -0.804 57.455 58.200 0.098 0.000 1.043 130 S CB 0.378 63.635 63.200 0.094 0.000 0.939 130 S HN 0.544 nan 8.310 nan 0.000 0.504 131 W N 3.452 124.763 121.300 0.018 0.000 2.347 131 W HA 0.085 4.745 4.660 0.000 0.000 0.333 131 W C 0.334 176.872 176.519 0.031 0.000 1.383 131 W CA 0.529 57.885 57.345 0.019 0.000 1.283 131 W CB 0.177 29.649 29.460 0.019 0.000 1.253 131 W HN 0.481 nan 8.180 nan 0.000 0.563 132 Q N 4.918 124.368 119.800 -0.583 0.000 2.323 132 Q HA 0.540 4.880 4.340 0.000 0.000 0.271 132 Q C -0.516 174.950 176.000 -0.890 0.000 1.048 132 Q CA -0.813 54.706 55.803 -0.473 0.000 0.792 132 Q CB 1.866 30.455 28.738 -0.249 0.000 1.280 132 Q HN 0.601 nan 8.270 nan 0.000 0.441 133 A N 1.605 124.127 122.820 -0.497 0.000 2.498 133 A HA 0.154 4.474 4.320 0.000 0.000 0.239 133 A C 0.888 178.309 177.584 -0.273 0.000 1.068 133 A CA 0.513 52.377 52.037 -0.288 0.000 0.766 133 A CB 0.260 19.417 19.000 0.261 0.000 1.003 133 A HN 0.866 nan 8.150 nan 0.000 0.497 134 S N 0.319 115.883 115.700 -0.226 0.000 2.517 134 S HA 0.200 4.670 4.470 0.000 0.000 0.214 134 S C 0.700 175.195 174.600 -0.174 0.000 0.991 134 S CA 0.608 58.693 58.200 -0.193 0.000 0.906 134 S CB -0.459 62.643 63.200 -0.163 0.000 0.789 134 S HN 1.353 nan 8.310 nan 0.000 0.513 135 T N -1.397 113.097 114.554 -0.100 0.000 2.887 135 T HA 0.676 5.026 4.350 0.000 0.000 0.292 135 T C -0.815 173.826 174.700 -0.098 0.000 1.087 135 T CA -0.974 61.061 62.100 -0.109 0.000 1.009 135 T CB 0.646 69.550 68.868 0.060 0.000 1.203 135 T HN 0.078 nan 8.240 nan 0.000 0.518 136 F N 2.805 122.831 119.950 0.126 0.000 2.605 136 F HA 0.358 4.885 4.527 -0.000 0.000 0.352 136 F C 0.450 176.292 175.800 0.071 0.000 1.236 136 F CA -1.319 56.713 58.000 0.053 0.000 1.267 136 F CB -0.576 38.430 39.000 0.009 0.000 1.632 136 F HN 0.539 nan 8.300 nan 0.000 0.639 137 F N -0.366 119.695 119.950 0.184 0.000 2.375 137 F HA 0.606 5.133 4.527 -0.000 0.000 0.313 137 F C -0.183 175.696 175.800 0.133 0.000 1.176 137 F CA -1.488 56.596 58.000 0.140 0.000 1.142 137 F CB 0.002 39.075 39.000 0.121 0.000 1.275 137 F HN -0.175 nan 8.300 nan 0.000 0.544 138 V N 3.549 123.596 119.914 0.221 0.000 2.479 138 V HA 0.290 4.410 4.120 0.000 0.000 0.281 138 V C 0.165 176.289 176.094 0.051 0.000 1.031 138 V CA -0.192 62.161 62.300 0.090 0.000 1.038 138 V CB -0.430 31.473 31.823 0.134 0.000 0.981 138 V HN 0.919 nan 8.190 nan 0.000 0.478 139 R N 3.627 124.070 120.500 -0.096 0.000 2.692 139 R HA 0.409 4.749 4.340 0.000 0.000 0.269 139 R C -0.420 175.850 176.300 -0.051 0.000 1.030 139 R CA -0.857 55.193 56.100 -0.083 0.000 0.882 139 R CB 0.930 31.044 30.300 -0.310 0.000 1.250 139 R HN 0.477 nan 8.270 nan 0.000 0.465 140 N N -0.201 118.493 118.700 -0.009 0.000 2.725 140 N HA -0.192 4.548 4.740 0.000 0.000 0.249 140 N C 0.671 176.179 175.510 -0.003 0.000 1.103 140 N CA 1.969 55.015 53.050 -0.007 0.000 0.707 140 N CB -1.260 37.216 38.487 -0.019 0.000 1.043 140 N HN 1.201 nan 8.380 nan 0.000 0.553 141 G N -2.215 106.589 108.800 0.006 0.000 2.132 141 G HA2 -0.288 3.672 3.960 0.000 0.000 0.228 141 G HA3 -0.288 3.672 3.960 0.000 0.000 0.228 141 G C 0.094 174.999 174.900 0.009 0.000 1.000 141 G CA 0.294 45.401 45.100 0.012 0.000 0.693 141 G HN 0.515 nan 8.290 nan 0.000 0.515 142 S N -0.066 115.634 115.700 0.000 0.000 2.576 142 S HA 0.425 4.896 4.470 0.000 0.000 0.276 142 S C 0.427 175.029 174.600 0.003 0.000 1.339 142 S CA -0.166 58.030 58.200 -0.006 0.000 1.039 142 S CB 1.017 64.205 63.200 -0.020 0.000 0.902 142 S HN 0.562 nan 8.310 nan 0.000 0.516 143 N N 2.963 121.659 118.700 -0.007 0.000 2.485 143 N HA 0.300 5.040 4.740 0.000 0.000 0.243 143 N C -1.774 173.733 175.510 -0.006 0.000 0.987 143 N CA -2.303 50.738 53.050 -0.016 0.000 0.940 143 N CB 1.194 39.648 38.487 -0.054 0.000 1.122 143 N HN 0.191 nan 8.380 nan 0.000 0.509 144 P HA -0.053 nan 4.420 nan 0.000 0.230 144 P C 0.303 177.635 177.300 0.054 0.000 1.158 144 P CA 0.847 63.973 63.100 0.044 0.000 0.769 144 P CB 0.540 32.280 31.700 0.067 0.000 0.807 145 E N -0.215 120.006 120.200 0.035 0.000 2.347 145 E HA -0.094 4.256 4.350 0.000 0.000 0.196 145 E C 0.879 177.504 176.600 0.041 0.000 1.008 145 E CA 0.554 56.996 56.400 0.071 0.000 0.852 145 E CB -0.072 29.629 29.700 0.001 0.000 0.783 145 E HN 0.304 nan 8.360 nan 0.000 0.505 146 Q N 2.150 121.938 119.800 -0.020 0.000 2.294 146 Q HA 0.041 4.381 4.340 0.000 0.000 0.257 146 Q C -0.928 175.088 176.000 0.027 0.000 0.955 146 Q CA -0.221 55.567 55.803 -0.025 0.000 0.936 146 Q CB 0.868 29.574 28.738 -0.053 0.000 1.188 146 Q HN -0.199 nan 8.270 nan 0.000 0.420 147 D N 5.819 126.252 120.400 0.056 0.000 2.339 147 D HA 0.108 4.748 4.640 0.000 0.000 0.256 147 D C -1.772 174.550 176.300 0.037 0.000 1.214 147 D CA -2.025 52.008 54.000 0.055 0.000 0.877 147 D CB 1.336 42.181 40.800 0.076 0.000 1.111 147 D HN 0.420 nan 8.370 nan 0.000 0.478 148 P HA -0.038 nan 4.420 nan 0.000 0.229 148 P C 1.147 178.453 177.300 0.011 0.000 1.160 148 P CA 0.570 63.674 63.100 0.006 0.000 0.777 148 P CB 0.331 32.023 31.700 -0.014 0.000 0.814 149 L N -1.110 120.123 121.223 0.017 0.000 2.592 149 L HA 0.209 4.549 4.340 0.000 0.000 0.227 149 L C 1.424 178.313 176.870 0.031 0.000 1.127 149 L CA 0.199 55.050 54.840 0.018 0.000 0.884 149 L CB -0.246 41.820 42.059 0.011 0.000 1.065 149 L HN -0.184 nan 8.230 nan 0.000 0.457 150 R N 0.074 120.602 120.500 0.046 0.000 2.734 150 R HA 0.227 4.567 4.340 0.000 0.000 0.395 150 R C -0.493 175.869 176.300 0.105 0.000 1.096 150 R CA -0.264 55.878 56.100 0.070 0.000 1.071 150 R CB 0.354 30.697 30.300 0.071 0.000 1.348 150 R HN 0.050 nan 8.270 nan 0.000 0.600 151 N N 0.604 119.340 118.700 0.060 0.000 2.362 151 N HA 0.369 5.109 4.740 0.000 0.000 0.299 151 N C -0.829 174.594 175.510 -0.146 0.000 1.170 151 N CA -0.664 52.398 53.050 0.021 0.000 0.825 151 N CB 1.385 39.883 38.487 0.018 0.000 1.299 151 N HN 0.083 nan 8.380 nan 0.000 0.502 152 L N 2.264 123.233 121.223 -0.424 0.000 2.407 152 L HA 0.225 4.565 4.340 0.000 0.000 0.261 152 L C 1.445 178.121 176.870 -0.324 0.000 1.108 152 L CA -0.306 54.172 54.840 -0.603 0.000 0.995 152 L CB 0.409 41.743 42.059 -1.208 0.000 1.349 152 L HN 0.648 nan 8.230 nan 0.000 0.423 153 S N -0.007 115.602 115.700 -0.152 0.000 2.423 153 S HA -0.097 4.373 4.470 0.000 0.000 0.231 153 S C 1.785 176.351 174.600 -0.056 0.000 1.014 153 S CA 0.856 59.017 58.200 -0.064 0.000 0.965 153 S CB -0.146 63.036 63.200 -0.031 0.000 0.785 153 S HN 0.639 nan 8.310 nan 0.000 0.495 154 G N 0.442 109.192 108.800 -0.084 0.000 2.813 154 G HA2 0.087 4.047 3.960 0.000 0.000 0.209 154 G HA3 0.087 4.047 3.960 0.000 0.000 0.209 154 G C 0.502 175.355 174.900 -0.079 0.000 1.150 154 G CA -0.179 44.883 45.100 -0.063 0.000 0.785 154 G HN 0.549 nan 8.290 nan 0.000 0.535 155 Q N 0.800 120.526 119.800 -0.123 0.000 2.337 155 Q HA 0.552 4.892 4.340 0.000 0.000 0.270 155 Q C -0.217 175.795 176.000 0.019 0.000 1.002 155 Q CA 0.331 56.081 55.803 -0.088 0.000 0.888 155 Q CB 0.982 29.594 28.738 -0.210 0.000 1.222 155 Q HN 0.279 nan 8.270 nan 0.000 0.400 156 A N 2.759 125.604 122.820 0.042 0.000 2.609 156 A HA 0.744 5.064 4.320 0.000 0.000 0.291 156 A C -1.452 176.191 177.584 0.098 0.000 1.096 156 A CA -0.186 51.892 52.037 0.069 0.000 0.684 156 A CB 1.197 20.223 19.000 0.044 0.000 1.282 156 A HN 0.994 nan 8.150 nan 0.000 0.412 157 V N -1.860 118.129 119.914 0.125 0.000 2.823 157 V HA 0.915 5.035 4.120 0.000 0.000 0.312 157 V C -0.410 175.777 176.094 0.156 0.000 1.072 157 V CA -0.501 61.895 62.300 0.160 0.000 0.937 157 V CB 1.504 33.472 31.823 0.241 0.000 1.013 157 V HN 0.869 nan 8.190 nan 0.000 0.430 158 T N 3.507 118.150 114.554 0.149 0.000 2.797 158 T HA 0.589 4.939 4.350 0.000 0.000 0.279 158 T C -0.229 174.523 174.700 0.086 0.000 0.991 158 T CA -0.504 61.673 62.100 0.128 0.000 0.979 158 T CB 1.086 70.046 68.868 0.154 0.000 0.943 158 T HN 0.769 nan 8.240 nan 0.000 0.444 159 R N 2.500 123.042 120.500 0.069 0.000 2.396 159 R HA 0.595 4.935 4.340 0.000 0.000 0.292 159 R C -0.762 175.559 176.300 0.035 0.000 1.240 159 R CA -0.594 55.519 56.100 0.022 0.000 1.270 159 R CB 0.715 31.010 30.300 -0.009 0.000 1.108 159 R HN 0.519 nan 8.270 nan 0.000 0.573 160 V N -1.869 118.063 119.914 0.030 0.000 3.178 160 V HA 0.436 4.556 4.120 0.000 0.000 0.302 160 V C 0.029 176.138 176.094 0.025 0.000 1.262 160 V CA -1.221 61.099 62.300 0.035 0.000 1.030 160 V CB 1.919 33.771 31.823 0.047 0.000 1.074 160 V HN 0.129 nan 8.190 nan 0.000 0.438 161 V N 2.996 122.928 119.914 0.030 0.000 2.493 161 V HA 0.507 4.627 4.120 0.000 0.000 0.292 161 V C 1.629 177.738 176.094 0.025 0.000 1.016 161 V CA 2.021 64.339 62.300 0.030 0.000 1.097 161 V CB -0.010 31.836 31.823 0.037 0.000 0.947 161 V HN 1.960 nan 8.190 nan 0.000 0.479 162 G N 3.393 112.201 108.800 0.014 0.000 2.238 162 G HA2 0.079 4.039 3.960 0.000 0.000 0.217 162 G HA3 0.079 4.039 3.960 0.000 0.000 0.217 162 G C 0.871 175.741 174.900 -0.050 0.000 0.996 162 G CA 0.032 45.128 45.100 -0.005 0.000 0.632 162 G HN 2.198 nan 8.290 nan 0.000 0.503 166 T N 0.161 114.600 114.554 -0.191 0.000 3.113 166 T HA 0.180 4.530 4.350 0.000 0.000 0.256 166 T C 1.344 175.858 174.700 -0.309 0.000 1.131 166 T CA 1.081 63.085 62.100 -0.160 0.000 1.074 166 T CB -0.767 68.088 68.868 -0.021 0.000 0.944 166 T HN 0.871 nan 8.240 nan 0.000 0.516 167 H N -1.885 117.095 119.070 -0.150 0.000 3.643 167 H HA 0.203 4.759 4.556 0.000 0.000 0.256 167 H C 0.723 176.243 175.328 0.319 0.000 1.107 167 H CA -0.973 55.106 56.048 0.052 0.000 1.175 167 H CB -0.364 29.427 29.762 0.048 0.000 1.519 167 H HN 0.461 nan 8.280 nan 0.000 0.565 168 W N 3.048 124.363 121.300 0.026 0.000 2.042 168 W HA 0.246 4.906 4.660 0.000 0.000 0.358 168 W C 0.025 176.673 176.519 0.214 0.000 1.325 168 W CA 0.070 57.521 57.345 0.176 0.000 1.311 168 W CB -0.197 29.272 29.460 0.016 0.000 1.210 168 W HN -0.166 nan 8.180 nan 0.000 0.620 169 T N 0.753 115.278 114.554 -0.047 0.000 3.067 169 T HA -0.011 4.339 4.350 0.000 0.000 0.261 169 T C 1.079 175.345 174.700 -0.724 0.000 1.110 169 T CA 1.222 63.132 62.100 -0.317 0.000 1.113 169 T CB -0.482 68.361 68.868 -0.040 0.000 0.917 169 T HN 0.670 nan 8.240 nan 0.000 0.499 170 C N 0.813 119.274 119.300 -1.399 0.000 4.741 170 C HA -0.116 4.344 4.460 0.000 0.000 0.252 170 C C 1.138 175.647 174.990 -0.802 0.000 1.314 170 C CA -0.762 57.218 59.018 -1.729 0.000 1.567 170 C CB -2.533 24.696 27.740 -0.851 0.000 1.662 170 C HN 0.770 nan 8.230 nan 0.000 0.684 171 A N 1.355 123.904 122.820 -0.452 0.000 2.438 171 A HA 0.496 4.816 4.320 0.000 0.000 0.280 171 A C 0.822 178.336 177.584 -0.118 0.000 1.160 171 A CA 1.277 53.202 52.037 -0.187 0.000 0.821 171 A CB 0.058 19.005 19.000 -0.087 0.000 1.101 171 A HN 1.311 nan 8.150 nan 0.000 0.515 172 T N 1.989 116.487 114.554 -0.094 0.000 3.378 172 T HA 0.516 4.866 4.350 0.000 0.000 0.359 172 T C -2.577 172.087 174.700 -0.060 0.000 1.815 172 T CA -1.641 60.443 62.100 -0.027 0.000 1.509 172 T CB 0.472 69.353 68.868 0.021 0.000 1.049 172 T HN 0.462 nan 8.240 nan 0.000 0.705 173 P HA 0.379 nan 4.420 nan 0.000 0.276 173 P C -0.124 177.051 177.300 -0.209 0.000 1.244 173 P CA -0.694 62.328 63.100 -0.129 0.000 0.801 173 P CB 1.204 32.821 31.700 -0.139 0.000 1.006 174 R N 0.717 121.013 120.500 -0.340 0.000 2.615 174 R HA 0.372 4.712 4.340 0.000 0.000 0.270 174 R C 0.054 176.259 176.300 -0.159 0.000 1.081 174 R CA -0.349 55.361 56.100 -0.649 0.000 1.154 174 R CB 0.145 29.955 30.300 -0.818 0.000 1.063 174 R HN 0.379 nan 8.270 nan 0.000 0.519 175 F N 1.844 121.558 119.950 -0.392 0.000 2.396 175 F HA 0.057 4.585 4.527 0.000 0.000 0.343 175 F C 1.000 176.622 175.800 -0.296 0.000 1.104 175 F CA -1.516 56.287 58.000 -0.328 0.000 1.161 175 F CB 0.395 39.190 39.000 -0.341 0.000 1.146 175 F HN 0.550 nan 8.300 nan 0.000 0.522 176 D N 2.640 122.962 120.400 -0.130 0.000 2.398 176 D HA 0.092 4.732 4.640 0.000 0.000 0.247 176 D C 1.057 177.264 176.300 -0.155 0.000 1.227 176 D CA -0.380 53.546 54.000 -0.123 0.000 0.980 176 D CB 0.628 41.371 40.800 -0.095 0.000 1.106 176 D HN 0.502 nan 8.370 nan 0.000 0.493 177 R N -0.445 119.990 120.500 -0.109 0.000 2.103 177 R HA -0.216 4.124 4.340 0.000 0.000 0.242 177 R C 2.050 178.288 176.300 -0.105 0.000 1.142 177 R CA 2.031 58.072 56.100 -0.098 0.000 0.960 177 R CB -0.308 29.970 30.300 -0.037 0.000 0.858 177 R HN 0.638 nan 8.270 nan 0.000 0.439 178 E N 0.490 120.625 120.200 -0.109 0.000 2.267 178 E HA -0.212 4.138 4.350 0.000 0.000 0.197 178 E C 1.428 177.916 176.600 -0.186 0.000 0.998 178 E CA 1.382 57.723 56.400 -0.098 0.000 0.830 178 E CB 0.212 29.897 29.700 -0.026 0.000 0.751 178 E HN 0.384 nan 8.360 nan 0.000 0.491 179 Q N -0.654 118.953 119.800 -0.323 0.000 2.350 179 Q HA 0.128 4.468 4.340 0.000 0.000 0.225 179 Q C -0.023 175.895 176.000 -0.136 0.000 0.878 179 Q CA -0.082 55.477 55.803 -0.408 0.000 0.935 179 Q CB 0.686 28.875 28.738 -0.915 0.000 1.099 179 Q HN 0.144 nan 8.270 nan 0.000 0.527 180 R N 1.288 121.736 120.500 -0.086 0.000 2.598 180 R HA 0.500 4.840 4.340 0.000 0.000 0.279 180 R C -2.672 173.616 176.300 -0.020 0.000 0.984 180 R CA -2.027 54.029 56.100 -0.073 0.000 0.999 180 R CB -0.006 29.962 30.300 -0.552 0.000 1.114 180 R HN -0.257 nan 8.270 nan 0.000 0.493 181 P HA 0.068 nan 4.420 nan 0.000 0.274 181 P C -0.797 176.688 177.300 0.307 0.000 1.231 181 P CA -0.475 62.736 63.100 0.184 0.000 0.790 181 P CB 0.598 32.410 31.700 0.188 0.000 0.951 182 L N 2.293 123.688 121.223 0.288 0.000 2.367 182 L HA 0.117 4.457 4.340 0.000 0.000 0.275 182 L C 1.731 178.809 176.870 0.346 0.000 1.129 182 L CA 0.461 55.524 54.840 0.371 0.000 0.839 182 L CB -0.021 42.264 42.059 0.378 0.000 1.133 182 L HN 0.349 nan 8.230 nan 0.000 0.453 183 L N 2.884 124.301 121.223 0.324 0.000 2.357 183 L HA 0.209 4.549 4.340 0.000 0.000 0.211 183 L C -0.063 176.980 176.870 0.288 0.000 1.075 183 L CA 0.203 55.103 54.840 0.100 0.000 0.830 183 L CB 0.282 42.212 42.059 -0.214 0.000 0.996 183 L HN 0.283 nan 8.230 nan 0.000 0.467 184 V N 0.648 120.740 119.914 0.297 0.000 2.448 184 V HA 0.228 4.348 4.120 0.000 0.000 0.295 184 V C -0.029 176.166 176.094 0.168 0.000 1.025 184 V CA -0.994 61.446 62.300 0.233 0.000 0.859 184 V CB 1.721 33.614 31.823 0.115 0.000 0.988 184 V HN 0.072 nan 8.190 nan 0.000 0.431 185 K N 3.211 123.599 120.400 -0.020 0.000 2.412 185 K HA 0.121 4.441 4.320 0.000 0.000 0.281 185 K C 0.351 176.909 176.600 -0.070 0.000 1.027 185 K CA 0.224 56.398 56.287 -0.189 0.000 0.989 185 K CB 0.141 32.370 32.500 -0.452 0.000 0.935 185 K HN 0.799 nan 8.250 nan 0.000 0.475 186 D N 1.916 122.291 120.400 -0.040 0.000 2.882 186 D HA -0.214 4.426 4.640 0.000 0.000 0.229 186 D C -0.717 175.585 176.300 0.003 0.000 1.167 186 D CA 1.204 55.193 54.000 -0.019 0.000 0.759 186 D CB -0.462 40.315 40.800 -0.038 0.000 1.088 186 D HN 0.555 nan 8.370 nan 0.000 0.425 187 D N -0.990 119.424 120.400 0.023 0.000 2.328 187 D HA 0.468 5.108 4.640 0.000 0.000 0.243 187 D C 0.927 177.260 176.300 0.054 0.000 1.324 187 D CA 0.117 54.136 54.000 0.033 0.000 0.966 187 D CB 0.826 41.643 40.800 0.029 0.000 1.324 187 D HN -0.011 nan 8.370 nan 0.000 0.549 188 A N 2.947 125.799 122.820 0.052 0.000 1.917 188 A HA -0.215 4.105 4.320 0.000 0.000 0.219 188 A C 1.733 179.361 177.584 0.072 0.000 1.182 188 A CA 1.671 53.748 52.037 0.066 0.000 0.633 188 A CB -0.205 18.825 19.000 0.051 0.000 0.819 188 A HN 0.499 nan 8.150 nan 0.000 0.448 189 D N -0.268 120.166 120.400 0.056 0.000 2.106 189 D HA -0.085 4.555 4.640 0.000 0.000 0.191 189 D C 2.175 178.513 176.300 0.063 0.000 0.997 189 D CA 1.936 55.968 54.000 0.054 0.000 0.834 189 D CB -0.282 40.541 40.800 0.040 0.000 0.956 189 D HN 0.425 nan 8.370 nan 0.000 0.448 190 A N -0.157 122.698 122.820 0.059 0.000 2.016 190 A HA -0.079 4.241 4.320 0.000 0.000 0.217 190 A C 1.829 179.458 177.584 0.074 0.000 1.162 190 A CA 1.543 53.612 52.037 0.054 0.000 0.662 190 A CB -0.431 18.593 19.000 0.039 0.000 0.812 190 A HN 0.218 nan 8.150 nan 0.000 0.450 191 D N 0.106 120.572 120.400 0.110 0.000 2.084 191 D HA -0.177 4.463 4.640 0.000 0.000 0.194 191 D C 1.270 177.726 176.300 0.260 0.000 0.990 191 D CA 1.598 55.708 54.000 0.184 0.000 0.826 191 D CB -0.087 40.842 40.800 0.214 0.000 0.971 191 D HN 0.290 nan 8.370 nan 0.000 0.453 192 D N -0.303 120.218 120.400 0.201 0.000 2.133 192 D HA -0.182 4.458 4.640 0.000 0.000 0.195 192 D C 1.927 178.337 176.300 0.183 0.000 0.997 192 D CA 1.527 55.644 54.000 0.195 0.000 0.840 192 D CB -0.531 40.340 40.800 0.119 0.000 0.947 192 D HN 0.345 nan 8.370 nan 0.000 0.452 193 A N 0.356 123.246 122.820 0.117 0.000 1.929 193 A HA -0.154 4.166 4.320 0.000 0.000 0.216 193 A C 2.121 179.731 177.584 0.043 0.000 1.176 193 A CA 1.692 53.773 52.037 0.074 0.000 0.628 193 A CB -0.428 18.599 19.000 0.045 0.000 0.816 193 A HN 0.144 nan 8.150 nan 0.000 0.444 194 E N -0.611 119.596 120.200 0.010 0.000 2.031 194 E HA -0.207 4.143 4.350 0.000 0.000 0.193 194 E C 1.662 178.156 176.600 -0.177 0.000 0.994 194 E CA 1.674 58.003 56.400 -0.119 0.000 0.800 194 E CB -0.490 29.091 29.700 -0.199 0.000 0.752 194 E HN 0.710 nan 8.360 nan 0.000 0.447 195 W N 0.714 121.959 121.300 -0.093 0.000 2.342 195 W HA -0.141 4.519 4.660 0.000 0.000 0.297 195 W C 2.187 178.658 176.519 -0.079 0.000 1.213 195 W CA 1.364 58.602 57.345 -0.178 0.000 1.251 195 W CB -0.384 29.012 29.460 -0.105 0.000 1.136 195 W HN 0.276 nan 8.180 nan 0.000 0.526 196 D N -0.266 120.288 120.400 0.257 0.000 2.144 196 D HA -0.179 4.462 4.640 0.000 0.000 0.200 196 D C 2.162 178.531 176.300 0.114 0.000 0.978 196 D CA 1.298 55.431 54.000 0.222 0.000 0.833 196 D CB -0.188 40.706 40.800 0.157 0.000 0.961 196 D HN -0.057 nan 8.370 nan 0.000 0.470 197 R N -0.269 120.248 120.500 0.029 0.000 2.080 197 R HA -0.108 4.232 4.340 0.000 0.000 0.236 197 R C 2.417 178.667 176.300 -0.083 0.000 1.137 197 R CA 1.293 57.373 56.100 -0.033 0.000 0.943 197 R CB -0.339 29.921 30.300 -0.066 0.000 0.846 197 R HN 0.266 nan 8.270 nan 0.000 0.431 198 L N -0.648 120.479 121.223 -0.161 0.000 2.027 198 L HA -0.197 4.144 4.340 0.000 0.000 0.206 198 L C 2.402 179.186 176.870 -0.145 0.000 1.074 198 L CA 1.193 55.883 54.840 -0.251 0.000 0.745 198 L CB -0.674 41.111 42.059 -0.456 0.000 0.898 198 L HN 0.205 nan 8.230 nan 0.000 0.433 199 Y N 0.365 120.664 120.300 -0.002 0.000 2.207 199 Y HA -0.264 4.286 4.550 0.000 0.000 0.287 199 Y C 2.865 178.746 175.900 -0.031 0.000 1.156 199 Y CA 1.534 59.644 58.100 0.016 0.000 1.182 199 Y CB -1.209 37.294 38.460 0.073 0.000 0.979 199 Y HN 0.156 nan 8.280 nan 0.000 0.521 200 T N -0.575 114.049 114.554 0.116 0.000 2.737 200 T HA -0.149 4.201 4.350 0.000 0.000 0.265 200 T C 2.002 176.675 174.700 -0.044 0.000 1.038 200 T CA 1.368 63.493 62.100 0.041 0.000 1.144 200 T CB -0.094 68.790 68.868 0.027 0.000 0.866 200 T HN 0.221 nan 8.240 nan 0.000 0.434 201 K N 0.808 121.122 120.400 -0.143 0.000 2.002 201 K HA -0.031 4.289 4.320 0.000 0.000 0.209 201 K C 2.615 178.900 176.600 -0.526 0.000 1.048 201 K CA 1.244 57.318 56.287 -0.355 0.000 0.930 201 K CB -0.326 31.913 32.500 -0.434 0.000 0.714 201 K HN 0.258 nan 8.250 nan 0.000 0.438 202 A N 1.411 124.021 122.820 -0.350 0.000 1.908 202 A HA -0.246 4.074 4.320 0.000 0.000 0.218 202 A C 1.867 179.475 177.584 0.040 0.000 1.181 202 A CA 1.813 53.729 52.037 -0.202 0.000 0.627 202 A CB -0.493 18.485 19.000 -0.036 0.000 0.818 202 A HN 0.374 nan 8.150 nan 0.000 0.445 203 E N -0.633 119.621 120.200 0.090 0.000 2.110 203 E HA -0.146 4.204 4.350 0.000 0.000 0.193 203 E C 2.287 178.987 176.600 0.166 0.000 0.988 203 E CA 1.251 57.747 56.400 0.160 0.000 0.804 203 E CB -0.144 29.619 29.700 0.105 0.000 0.745 203 E HN 0.661 nan 8.360 nan 0.000 0.458 204 S N -0.384 115.374 115.700 0.096 0.000 2.387 204 S HA -0.135 4.335 4.470 0.000 0.000 0.226 204 S C 1.821 176.583 174.600 0.271 0.000 1.026 204 S CA 0.627 58.911 58.200 0.140 0.000 0.972 204 S CB -0.195 63.057 63.200 0.088 0.000 0.814 204 S HN 0.246 nan 8.310 nan 0.000 0.477 205 Y N 0.499 120.831 120.300 0.052 0.000 2.224 205 Y HA 0.065 4.615 4.550 0.000 0.000 0.289 205 Y C 1.981 177.938 175.900 0.095 0.000 1.146 205 Y CA 0.302 58.407 58.100 0.009 0.000 1.182 205 Y CB -0.997 37.397 38.460 -0.110 0.000 0.983 205 Y HN 0.417 nan 8.280 nan 0.000 0.524 206 F N -0.069 120.030 119.950 0.249 0.000 2.754 206 F HA -0.018 4.509 4.527 0.000 0.000 0.297 206 F C 0.537 176.445 175.800 0.180 0.000 1.122 206 F CA -0.038 58.096 58.000 0.222 0.000 1.400 206 F CB 0.367 39.510 39.000 0.239 0.000 1.117 206 F HN -0.093 nan 8.300 nan 0.000 0.587 207 Q N 1.081 121.077 119.800 0.328 0.000 2.463 207 Q HA -0.174 4.166 4.340 0.000 0.000 0.299 207 Q C -0.105 175.980 176.000 0.141 0.000 1.353 207 Q CA 0.707 56.624 55.803 0.190 0.000 0.828 207 Q CB -2.532 26.295 28.738 0.149 0.000 1.157 207 Q HN 0.172 nan 8.270 nan 0.000 0.436 208 T N 0.003 114.651 114.554 0.157 0.000 2.916 208 T HA 0.465 4.815 4.350 0.000 0.000 0.303 208 T C 0.755 175.487 174.700 0.053 0.000 1.025 208 T CA 0.576 62.731 62.100 0.091 0.000 1.142 208 T CB 1.276 70.208 68.868 0.107 0.000 0.947 208 T HN 0.482 nan 8.240 nan 0.000 0.544 209 G N 0.711 109.528 108.800 0.028 0.000 2.695 209 G HA2 0.539 4.499 3.960 0.000 0.000 0.290 209 G HA3 0.539 4.499 3.960 0.000 0.000 0.290 209 G C 0.265 175.183 174.900 0.029 0.000 1.410 209 G CA -0.599 44.513 45.100 0.020 0.000 0.844 209 G HN 0.602 nan 8.290 nan 0.000 0.478 210 T N -2.899 111.675 114.554 0.034 0.000 3.091 210 T HA 0.256 4.606 4.350 0.000 0.000 0.277 210 T C 0.041 174.778 174.700 0.063 0.000 0.996 210 T CA 0.098 62.232 62.100 0.056 0.000 0.897 210 T CB 0.710 69.612 68.868 0.056 0.000 1.109 210 T HN 0.231 nan 8.240 nan 0.000 0.534 211 D N 1.026 121.443 120.400 0.029 0.000 2.433 211 D HA 0.204 4.844 4.640 0.000 0.000 0.211 211 D C 1.697 177.967 176.300 -0.050 0.000 1.114 211 D CA 0.109 54.113 54.000 0.007 0.000 0.837 211 D CB 0.488 41.282 40.800 -0.010 0.000 0.984 211 D HN 0.278 nan 8.370 nan 0.000 0.505 212 Q N -0.765 119.002 119.800 -0.055 0.000 2.230 212 Q HA 0.077 4.417 4.340 0.000 0.000 0.202 212 Q C 0.502 176.232 176.000 -0.449 0.000 0.963 212 Q CA 0.842 56.504 55.803 -0.235 0.000 0.866 212 Q CB 0.032 28.613 28.738 -0.263 0.000 0.931 212 Q HN 0.246 nan 8.270 nan 0.000 0.452 213 F N 0.645 120.461 119.950 -0.223 0.000 2.684 213 F HA 0.217 4.744 4.527 0.000 0.000 0.298 213 F C 1.392 177.022 175.800 -0.284 0.000 1.120 213 F CA -0.435 57.383 58.000 -0.304 0.000 1.332 213 F CB 0.212 38.942 39.000 -0.449 0.000 0.986 213 F HN 0.015 nan 8.300 nan 0.000 0.524 214 K N 0.189 120.558 120.400 -0.052 0.000 2.097 214 K HA -0.119 4.201 4.320 0.000 0.000 0.205 214 K C 0.867 177.547 176.600 0.133 0.000 1.050 214 K CA 1.523 57.853 56.287 0.072 0.000 0.938 214 K CB -0.252 32.277 32.500 0.050 0.000 0.718 214 K HN 0.225 nan 8.250 nan 0.000 0.442 215 E N 1.566 121.753 120.200 -0.021 0.000 2.511 215 E HA -0.020 4.330 4.350 0.000 0.000 0.196 215 E C 0.127 176.831 176.600 0.173 0.000 1.066 215 E CA 0.127 56.482 56.400 -0.075 0.000 0.871 215 E CB 0.291 29.818 29.700 -0.289 0.000 0.863 215 E HN 0.244 nan 8.360 nan 0.000 0.520 216 S N 1.219 117.030 115.700 0.184 0.000 2.489 216 S HA 0.168 4.638 4.470 0.000 0.000 0.277 216 S C 1.136 175.828 174.600 0.154 0.000 1.230 216 S CA -0.604 57.692 58.200 0.160 0.000 1.053 216 S CB 0.635 63.952 63.200 0.194 0.000 0.955 216 S HN 0.254 nan 8.310 nan 0.000 0.488 217 I N 4.778 125.299 120.570 -0.082 0.000 2.353 217 I HA 0.057 4.227 4.170 0.000 0.000 0.248 217 I C 2.182 178.209 176.117 -0.150 0.000 1.119 217 I CA 0.943 61.987 61.300 -0.428 0.000 1.417 217 I CB -0.195 37.164 38.000 -1.068 0.000 1.078 217 I HN 0.615 nan 8.210 nan 0.000 0.421 218 R N -0.213 120.264 120.500 -0.038 0.000 2.075 218 R HA -0.183 4.157 4.340 0.000 0.000 0.232 218 R C 2.430 178.797 176.300 0.113 0.000 1.126 218 R CA 1.839 57.961 56.100 0.035 0.000 0.963 218 R CB -0.861 29.461 30.300 0.037 0.000 0.858 218 R HN 0.570 nan 8.270 nan 0.000 0.435 219 H N 1.083 120.195 119.070 0.070 0.000 2.319 219 H HA -0.048 4.508 4.556 0.000 0.000 0.299 219 H C 1.739 177.143 175.328 0.128 0.000 1.092 219 H CA 1.890 57.993 56.048 0.092 0.000 1.302 219 H CB -0.018 29.826 29.762 0.138 0.000 1.373 219 H HN 0.131 nan 8.280 nan 0.000 0.497 220 N N 0.038 118.874 118.700 0.226 0.000 2.331 220 N HA -0.112 4.628 4.740 0.000 0.000 0.180 220 N C 1.922 177.562 175.510 0.217 0.000 1.019 220 N CA 0.834 54.025 53.050 0.234 0.000 0.881 220 N CB -0.096 38.675 38.487 0.474 0.000 0.972 220 N HN 0.301 nan 8.380 nan 0.000 0.435 221 L N 1.342 122.721 121.223 0.260 0.000 1.989 221 L HA -0.106 4.234 4.340 0.000 0.000 0.211 221 L C 2.126 179.044 176.870 0.081 0.000 1.071 221 L CA 1.446 56.422 54.840 0.226 0.000 0.749 221 L CB -0.689 41.487 42.059 0.196 0.000 0.890 221 L HN -0.128 nan 8.230 nan 0.000 0.431 222 V N -0.824 119.101 119.914 0.017 0.000 2.379 222 V HA -0.224 3.896 4.120 0.000 0.000 0.245 222 V C 2.441 178.462 176.094 -0.122 0.000 1.044 222 V CA 1.507 63.780 62.300 -0.045 0.000 1.036 222 V CB -0.565 31.211 31.823 -0.079 0.000 0.664 222 V HN 0.494 nan 8.190 nan 0.000 0.453 223 L N 0.809 121.933 121.223 -0.165 0.000 1.989 223 L HA -0.208 4.132 4.340 0.000 0.000 0.211 223 L C 2.104 178.898 176.870 -0.125 0.000 1.071 223 L CA 2.313 57.043 54.840 -0.184 0.000 0.749 223 L CB -0.880 41.038 42.059 -0.235 0.000 0.890 223 L HN 0.373 nan 8.230 nan 0.000 0.431 224 N N -0.952 117.714 118.700 -0.057 0.000 2.120 224 N HA -0.247 4.493 4.740 0.000 0.000 0.188 224 N C 1.768 177.234 175.510 -0.073 0.000 1.024 224 N CA 1.075 54.098 53.050 -0.044 0.000 0.852 224 N CB -0.123 38.349 38.487 -0.026 0.000 1.003 224 N HN 0.192 nan 8.380 nan 0.000 0.424 225 K N 1.707 122.064 120.400 -0.072 0.000 2.057 225 K HA -0.043 4.277 4.320 0.000 0.000 0.207 225 K C 1.699 178.225 176.600 -0.123 0.000 1.049 225 K CA 1.154 57.398 56.287 -0.072 0.000 0.931 225 K CB -0.288 32.193 32.500 -0.032 0.000 0.714 225 K HN 0.143 nan 8.250 nan 0.000 0.440 226 L N -0.254 120.825 121.223 -0.240 0.000 2.131 226 L HA 0.035 4.375 4.340 0.000 0.000 0.206 226 L C 2.452 179.095 176.870 -0.377 0.000 1.087 226 L CA 0.884 55.469 54.840 -0.425 0.000 0.767 226 L CB -0.641 40.828 42.059 -0.982 0.000 0.917 226 L HN 0.232 nan 8.230 nan 0.000 0.441 227 A N 0.309 122.957 122.820 -0.286 0.000 1.892 227 A HA -0.309 4.011 4.320 0.000 0.000 0.218 227 A C 2.280 179.897 177.584 0.055 0.000 1.188 227 A CA 2.251 54.301 52.037 0.021 0.000 0.631 227 A CB -0.632 18.396 19.000 0.047 0.000 0.822 227 A HN 0.492 nan 8.150 nan 0.000 0.447 228 E N -0.720 119.471 120.200 -0.016 0.000 2.077 228 E HA -0.210 4.140 4.350 0.000 0.000 0.193 228 E C 1.871 178.448 176.600 -0.038 0.000 0.989 228 E CA 1.236 57.623 56.400 -0.022 0.000 0.800 228 E CB -0.092 29.578 29.700 -0.050 0.000 0.746 228 E HN 0.589 nan 8.360 nan 0.000 0.452 229 E N -0.429 119.723 120.200 -0.081 0.000 2.152 229 E HA -0.133 4.217 4.350 0.000 0.000 0.192 229 E C 0.877 177.298 176.600 -0.297 0.000 0.983 229 E CA 0.835 57.112 56.400 -0.203 0.000 0.818 229 E CB 0.054 29.588 29.700 -0.276 0.000 0.758 229 E HN 0.475 nan 8.360 nan 0.000 0.467 230 Y N 0.541 120.874 120.300 0.055 0.000 2.658 230 Y HA 0.192 4.742 4.550 0.000 0.000 0.276 230 Y C 0.469 176.435 175.900 0.109 0.000 1.167 230 Y CA -0.424 57.751 58.100 0.126 0.000 1.230 230 Y CB 0.270 38.904 38.460 0.289 0.000 1.144 230 Y HN -0.277 nan 8.280 nan 0.000 0.529 231 K N 0.786 121.278 120.400 0.153 0.000 2.440 231 K HA 0.096 4.416 4.320 0.000 0.000 0.275 231 K C 1.221 177.880 176.600 0.099 0.000 1.082 231 K CA 1.435 57.788 56.287 0.110 0.000 1.135 231 K CB -0.314 32.217 32.500 0.051 0.000 0.864 231 K HN 0.620 nan 8.250 nan 0.000 0.479 232 G N 2.823 111.684 108.800 0.101 0.000 2.179 232 G HA2 -0.290 3.670 3.960 0.000 0.000 0.260 232 G HA3 -0.290 3.670 3.960 0.000 0.000 0.260 232 G C 0.517 175.472 174.900 0.092 0.000 0.977 232 G CA 0.629 45.777 45.100 0.080 0.000 0.641 232 G HN 0.702 nan 8.290 nan 0.000 0.533 233 Q N -1.307 118.573 119.800 0.133 0.000 2.620 233 Q HA 0.258 4.599 4.340 0.000 0.000 0.232 233 Q C 1.051 177.120 176.000 0.115 0.000 0.836 233 Q CA 0.090 55.978 55.803 0.143 0.000 0.938 233 Q CB 1.027 29.897 28.738 0.220 0.000 1.242 233 Q HN 0.480 nan 8.270 nan 0.000 0.624 234 R N 0.893 121.471 120.500 0.129 0.000 2.725 234 R HA 0.430 4.770 4.340 0.000 0.000 0.277 234 R C -1.504 174.815 176.300 0.032 0.000 0.987 234 R CA -0.674 55.407 56.100 -0.032 0.000 0.901 234 R CB 1.764 31.835 30.300 -0.383 0.000 1.207 234 R HN 0.003 nan 8.270 nan 0.000 0.463 235 D N 1.724 122.069 120.400 -0.092 0.000 2.168 235 D HA 0.361 5.002 4.640 0.000 0.000 0.246 235 D C -0.744 175.427 176.300 -0.215 0.000 1.050 235 D CA 0.024 54.013 54.000 -0.017 0.000 0.857 235 D CB 1.282 42.080 40.800 -0.003 0.000 1.169 235 D HN 0.149 nan 8.370 nan 0.000 0.453 236 F N 1.120 121.073 119.950 0.006 0.000 2.480 236 F HA 0.354 4.881 4.527 0.000 0.000 0.329 236 F C 0.691 176.497 175.800 0.009 0.000 1.091 236 F CA -0.595 57.400 58.000 -0.008 0.000 0.972 236 F CB 1.698 40.691 39.000 -0.011 0.000 1.150 236 F HN 0.189 nan 8.300 nan 0.000 0.467 237 Q N 0.646 120.541 119.800 0.159 0.000 2.590 237 Q HA 0.353 4.693 4.340 0.000 0.000 0.295 237 Q C -1.416 174.674 176.000 0.149 0.000 0.973 237 Q CA -1.292 54.591 55.803 0.133 0.000 0.768 237 Q CB 1.787 30.575 28.738 0.084 0.000 1.479 237 Q HN 0.614 nan 8.270 nan 0.000 0.419 238 Q N 0.859 120.778 119.800 0.198 0.000 2.349 238 Q HA 0.130 4.470 4.340 0.000 0.000 0.287 238 Q C -0.465 175.608 176.000 0.122 0.000 1.044 238 Q CA 0.086 56.031 55.803 0.238 0.000 0.918 238 Q CB 0.438 29.310 28.738 0.223 0.000 1.242 238 Q HN 0.538 nan 8.270 nan 0.000 0.405 239 I N 6.050 126.672 120.570 0.085 0.000 2.683 239 I HA -0.026 4.144 4.170 0.000 0.000 0.286 239 I C -2.002 174.137 176.117 0.037 0.000 1.175 239 I CA -1.516 59.806 61.300 0.037 0.000 1.429 239 I CB 0.245 38.236 38.000 -0.016 0.000 1.371 239 I HN 0.432 nan 8.210 nan 0.000 0.569 240 P HA 0.197 nan 4.420 nan 0.000 0.266 240 P C -1.001 176.293 177.300 -0.010 0.000 1.215 240 P CA 0.206 63.313 63.100 0.011 0.000 0.763 240 P CB 0.409 32.103 31.700 -0.010 0.000 0.806 241 L N 2.535 123.761 121.223 0.006 0.000 2.362 241 L HA 0.605 4.945 4.340 0.000 0.000 0.275 241 L C 0.345 177.197 176.870 -0.031 0.000 0.998 241 L CA -1.185 53.651 54.840 -0.006 0.000 0.820 241 L CB 2.061 44.189 42.059 0.115 0.000 1.270 241 L HN 0.249 nan 8.230 nan 0.000 0.415 242 A N 3.312 126.058 122.820 -0.123 0.000 2.666 242 A HA 0.710 5.030 4.320 0.000 0.000 0.301 242 A C 0.171 177.755 177.584 0.000 0.000 1.470 242 A CA 0.226 52.212 52.037 -0.086 0.000 1.159 242 A CB -0.486 18.322 19.000 -0.320 0.000 1.116 242 A HN 0.825 nan 8.150 nan 0.000 0.548 243 A N 1.912 124.717 122.820 -0.025 0.000 2.586 243 A HA 0.693 5.013 4.320 0.000 0.000 0.296 243 A C -0.518 176.950 177.584 -0.194 0.000 1.040 243 A CA -0.463 51.472 52.037 -0.169 0.000 0.701 243 A CB 0.633 19.393 19.000 -0.400 0.000 1.277 243 A HN 0.692 nan 8.150 nan 0.000 0.413 244 T N 1.485 115.890 114.554 -0.248 0.000 2.881 244 T HA 0.475 4.825 4.350 0.000 0.000 0.291 244 T C -0.051 174.489 174.700 -0.268 0.000 0.990 244 T CA -0.427 61.557 62.100 -0.193 0.000 0.976 244 T CB 1.258 70.073 68.868 -0.089 0.000 0.970 244 T HN 0.734 nan 8.240 nan 0.000 0.438 245 R N 2.125 122.455 120.500 -0.283 0.000 2.489 245 R HA 0.193 4.533 4.340 0.000 0.000 0.287 245 R C 0.947 177.163 176.300 -0.141 0.000 1.053 245 R CA -0.146 55.787 56.100 -0.278 0.000 1.036 245 R CB 0.373 30.488 30.300 -0.310 0.000 0.966 245 R HN 0.436 nan 8.270 nan 0.000 0.432 246 R N 0.933 121.399 120.500 -0.057 0.000 2.279 246 R HA 0.139 4.479 4.340 0.000 0.000 0.195 246 R C 0.014 176.303 176.300 -0.019 0.000 0.905 246 R CA 0.534 56.635 56.100 0.002 0.000 1.044 246 R CB 0.543 30.901 30.300 0.097 0.000 1.056 246 R HN 0.748 nan 8.270 nan 0.000 0.535 247 S N -1.293 114.396 115.700 -0.019 0.000 2.595 247 S HA 0.304 4.774 4.470 0.000 0.000 0.270 247 S C -2.719 171.845 174.600 -0.060 0.000 1.145 247 S CA -1.004 57.176 58.200 -0.033 0.000 0.825 247 S CB 2.076 65.275 63.200 -0.002 0.000 1.107 247 S HN -0.262 nan 8.310 nan 0.000 0.461 248 P HA 0.014 nan 4.420 nan 0.000 0.223 248 P C 0.995 178.258 177.300 -0.061 0.000 1.144 248 P CA 1.752 64.801 63.100 -0.086 0.000 0.783 248 P CB -0.207 31.458 31.700 -0.058 0.000 0.771 249 T N -6.991 107.559 114.554 -0.005 0.000 3.111 249 T HA 0.288 4.638 4.350 0.000 0.000 0.284 249 T C -0.224 174.537 174.700 0.101 0.000 0.983 249 T CA -0.338 61.785 62.100 0.037 0.000 0.900 249 T CB -0.516 68.392 68.868 0.066 0.000 1.132 249 T HN -0.102 nan 8.240 nan 0.000 0.531 250 F N 1.695 121.584 119.950 -0.102 0.000 2.557 250 F HA 0.669 5.196 4.527 0.000 0.000 0.316 250 F C -1.541 174.131 175.800 -0.213 0.000 1.141 250 F CA -1.062 56.873 58.000 -0.108 0.000 0.922 250 F CB 1.956 40.911 39.000 -0.075 0.000 1.194 250 F HN -0.123 nan 8.300 nan 0.000 0.443 251 V N 5.228 124.657 119.914 -0.808 0.000 2.448 251 V HA 0.264 4.384 4.120 0.000 0.000 0.295 251 V C -0.295 175.198 176.094 -1.003 0.000 1.025 251 V CA -0.859 60.920 62.300 -0.868 0.000 0.859 251 V CB 1.631 32.754 31.823 -1.167 0.000 0.988 251 V HN 0.716 nan 8.190 nan 0.000 0.431 252 E N 4.370 124.277 120.200 -0.488 0.000 1.932 252 E HA 0.120 4.470 4.350 0.000 0.000 0.275 252 E C -1.032 175.373 176.600 -0.324 0.000 1.159 252 E CA -0.451 55.814 56.400 -0.226 0.000 0.905 252 E CB 0.381 30.112 29.700 0.052 0.000 1.059 252 E HN 0.627 nan 8.360 nan 0.000 0.400 253 W N 2.321 123.498 121.300 -0.206 0.000 2.190 253 W HA 0.071 4.731 4.660 0.000 0.000 0.330 253 W C 0.813 177.331 176.519 -0.002 0.000 1.299 253 W CA -0.459 56.745 57.345 -0.235 0.000 1.215 253 W CB 0.695 29.782 29.460 -0.622 0.000 1.147 253 W HN 0.275 nan 8.180 nan 0.000 0.563 254 S N 1.451 117.344 115.700 0.322 0.000 2.632 254 S HA 0.641 5.111 4.470 0.000 0.000 0.267 254 S C 0.116 175.141 174.600 0.709 0.000 1.276 254 S CA -0.559 57.901 58.200 0.434 0.000 0.998 254 S CB 1.213 64.658 63.200 0.408 0.000 0.953 254 S HN 0.518 nan 8.310 nan 0.000 0.547 255 S N -0.336 115.750 115.700 0.644 0.000 2.724 255 S HA 0.658 5.128 4.470 0.000 0.000 0.278 255 S C 0.711 175.525 174.600 0.356 0.000 1.190 255 S CA -0.285 58.240 58.200 0.540 0.000 0.860 255 S CB 0.493 63.932 63.200 0.399 0.000 1.206 255 S HN 0.717 nan 8.310 nan 0.000 0.507 256 A N 1.468 124.382 122.820 0.156 0.000 1.940 256 A HA -0.150 4.170 4.320 0.000 0.000 0.219 256 A C 2.006 179.631 177.584 0.068 0.000 1.176 256 A CA 2.043 54.116 52.037 0.059 0.000 0.631 256 A CB -1.467 17.539 19.000 0.010 0.000 0.814 256 A HN 0.847 nan 8.150 nan 0.000 0.446 257 N N -0.339 118.415 118.700 0.090 0.000 2.149 257 N HA -0.156 4.584 4.740 0.000 0.000 0.188 257 N C 1.512 177.043 175.510 0.035 0.000 1.019 257 N CA 2.063 55.137 53.050 0.041 0.000 0.857 257 N CB -0.265 38.260 38.487 0.063 0.000 0.997 257 N HN 0.441 nan 8.380 nan 0.000 0.426 258 T N 0.532 115.160 114.554 0.122 0.000 2.788 258 T HA -0.054 4.296 4.350 0.000 0.000 0.268 258 T C 2.063 176.797 174.700 0.057 0.000 1.044 258 T CA 1.030 63.206 62.100 0.127 0.000 1.139 258 T CB -0.167 68.860 68.868 0.265 0.000 0.867 258 T HN 0.052 nan 8.240 nan 0.000 0.454 259 V N -0.367 119.562 119.914 0.026 0.000 2.323 259 V HA 0.123 4.243 4.120 0.000 0.000 0.244 259 V C 0.512 176.567 176.094 -0.065 0.000 1.041 259 V CA 1.032 63.276 62.300 -0.093 0.000 1.025 259 V CB -0.300 31.427 31.823 -0.160 0.000 0.656 259 V HN 0.511 nan 8.190 nan 0.000 0.451 260 F N 0.907 120.731 119.950 -0.210 0.000 2.689 260 F HA 0.361 4.888 4.527 0.000 0.000 0.332 260 F C 0.341 176.018 175.800 -0.206 0.000 1.209 260 F CA -1.692 56.154 58.000 -0.257 0.000 1.028 260 F CB 1.223 40.024 39.000 -0.331 0.000 1.291 260 F HN 0.178 nan 8.300 nan 0.000 0.500 261 D N 4.888 124.834 120.400 -0.757 0.000 2.351 261 D HA -0.126 4.514 4.640 0.000 0.000 0.216 261 D C 1.284 177.244 176.300 -0.567 0.000 0.968 261 D CA 1.516 55.200 54.000 -0.526 0.000 0.899 261 D CB -0.027 40.541 40.800 -0.387 0.000 0.907 261 D HN 0.716 nan 8.370 nan 0.000 0.514 262 L N -2.480 118.130 121.223 -1.021 0.000 5.081 262 L HA -0.230 4.110 4.340 0.000 0.000 0.423 262 L C -0.154 176.590 176.870 -0.211 0.000 1.019 262 L CA 0.463 55.013 54.840 -0.484 0.000 1.223 262 L CB -1.448 40.559 42.059 -0.087 0.000 1.940 262 L HN 0.176 nan 8.230 nan 0.000 0.675 263 Q N 1.284 120.885 119.800 -0.332 0.000 2.337 263 Q HA 0.160 4.500 4.340 0.000 0.000 0.270 263 Q C 0.361 176.387 176.000 0.043 0.000 1.002 263 Q CA 0.239 55.966 55.803 -0.126 0.000 0.888 263 Q CB 0.454 29.097 28.738 -0.159 0.000 1.222 263 Q HN 0.129 nan 8.270 nan 0.000 0.400 264 N N 2.260 121.021 118.700 0.101 0.000 2.454 264 N HA 0.033 4.773 4.740 0.000 0.000 0.260 264 N C -0.309 175.278 175.510 0.128 0.000 1.218 264 N CA 0.360 53.500 53.050 0.150 0.000 0.904 264 N CB 0.490 38.974 38.487 -0.005 0.000 1.065 264 N HN 0.206 nan 8.380 nan 0.000 0.462 265 R N 2.039 122.660 120.500 0.201 0.000 2.637 265 R HA 0.510 4.850 4.340 0.000 0.000 0.291 265 R C -2.350 174.045 176.300 0.158 0.000 0.963 265 R CA -1.547 54.652 56.100 0.165 0.000 0.901 265 R CB 1.601 32.024 30.300 0.206 0.000 1.160 265 R HN 0.394 nan 8.270 nan 0.000 0.457 266 P HA 0.184 nan 4.420 nan 0.000 0.292 266 P C -1.456 175.895 177.300 0.084 0.000 1.287 266 P CA -0.598 62.586 63.100 0.139 0.000 0.800 266 P CB 1.100 32.922 31.700 0.202 0.000 0.945 267 N N 0.451 119.183 118.700 0.053 0.000 3.002 267 N HA 0.304 5.044 4.740 0.000 0.000 0.331 267 N C 0.799 176.315 175.510 0.010 0.000 1.384 267 N CA -0.638 52.426 53.050 0.024 0.000 0.780 267 N CB -0.773 37.717 38.487 0.005 0.000 1.492 267 N HN 0.110 nan 8.380 nan 0.000 0.608 268 T N -1.051 113.501 114.554 -0.002 0.000 2.708 268 T HA -0.108 4.242 4.350 0.000 0.000 0.266 268 T C 0.440 175.130 174.700 -0.018 0.000 1.037 268 T CA 1.632 63.726 62.100 -0.009 0.000 1.146 268 T CB -0.557 68.304 68.868 -0.011 0.000 0.865 268 T HN 0.520 nan 8.240 nan 0.000 0.435 269 D N 1.994 122.379 120.400 -0.024 0.000 2.310 269 D HA 0.210 4.850 4.640 0.000 0.000 0.212 269 D C 0.655 176.938 176.300 -0.028 0.000 0.965 269 D CA 0.659 54.641 54.000 -0.031 0.000 0.879 269 D CB -0.094 40.680 40.800 -0.043 0.000 0.921 269 D HN 0.525 nan 8.370 nan 0.000 0.510 270 A N 0.398 123.206 122.820 -0.020 0.000 2.741 270 A HA 0.425 4.746 4.320 0.000 0.000 0.298 270 A C -2.313 175.266 177.584 -0.008 0.000 1.153 270 A CA -0.926 51.102 52.037 -0.015 0.000 0.816 270 A CB 1.267 20.265 19.000 -0.002 0.000 1.396 270 A HN -0.193 nan 8.150 nan 0.000 0.407 271 P HA 0.045 nan 4.420 nan 0.000 0.236 271 P C 0.665 177.883 177.300 -0.135 0.000 1.177 271 P CA 0.884 63.954 63.100 -0.050 0.000 0.773 271 P CB 0.551 32.210 31.700 -0.067 0.000 0.878 272 E N -0.271 119.839 120.200 -0.150 0.000 2.501 272 E HA 0.129 4.479 4.350 0.000 0.000 0.201 272 E C 0.083 176.641 176.600 -0.069 0.000 1.016 272 E CA 0.194 56.436 56.400 -0.264 0.000 0.920 272 E CB 0.496 30.055 29.700 -0.235 0.000 1.023 272 E HN 0.462 nan 8.360 nan 0.000 0.474 273 E N 0.695 120.922 120.200 0.045 0.000 2.222 273 E HA 0.426 4.777 4.350 0.000 0.000 0.272 273 E C -0.374 176.358 176.600 0.221 0.000 0.982 273 E CA -0.501 55.976 56.400 0.128 0.000 0.842 273 E CB 1.498 31.265 29.700 0.111 0.000 1.144 273 E HN -0.165 nan 8.360 nan 0.000 0.397 274 R N 2.060 122.702 120.500 0.238 0.000 2.451 274 R HA 0.460 4.801 4.340 0.000 0.000 0.307 274 R C -1.538 174.929 176.300 0.278 0.000 0.965 274 R CA -0.557 55.688 56.100 0.242 0.000 0.865 274 R CB 1.065 31.493 30.300 0.214 0.000 1.174 274 R HN 0.407 nan 8.270 nan 0.000 0.455 275 F N 2.354 122.348 119.950 0.073 0.000 2.604 275 F HA 0.427 4.954 4.527 0.000 0.000 0.316 275 F C -1.557 174.202 175.800 -0.069 0.000 1.136 275 F CA -0.551 57.460 58.000 0.018 0.000 0.989 275 F CB 1.894 40.965 39.000 0.118 0.000 1.258 275 F HN 0.354 nan 8.300 nan 0.000 0.451 276 N N 5.561 123.653 118.700 -1.013 0.000 2.296 276 N HA 0.480 5.220 4.740 0.000 0.000 0.294 276 N C -2.025 172.531 175.510 -1.590 0.000 1.033 276 N CA -0.587 51.806 53.050 -1.096 0.000 0.839 276 N CB 2.901 40.890 38.487 -0.831 0.000 1.395 276 N HN 0.654 nan 8.380 nan 0.000 0.479 277 L N 2.658 123.187 121.223 -1.156 0.000 2.287 277 L HA 0.582 4.922 4.340 0.000 0.000 0.287 277 L C -1.560 174.822 176.870 -0.813 0.000 1.022 277 L CA -0.271 54.105 54.840 -0.774 0.000 0.814 277 L CB 0.294 42.255 42.059 -0.164 0.000 1.217 277 L HN 0.326 nan 8.230 nan 0.000 0.420 278 F N 6.547 126.298 119.950 -0.331 0.000 2.311 278 F HA 0.556 5.083 4.527 0.000 0.000 0.371 278 F C -2.103 173.685 175.800 -0.020 0.000 1.083 278 F CA -2.133 55.780 58.000 -0.144 0.000 1.113 278 F CB 0.682 39.626 39.000 -0.093 0.000 1.349 278 F HN 0.413 nan 8.300 nan 0.000 0.470 279 P HA 0.374 nan 4.420 nan 0.000 0.276 279 P C -0.018 177.343 177.300 0.102 0.000 1.252 279 P CA -0.199 62.953 63.100 0.086 0.000 0.802 279 P CB 1.267 32.995 31.700 0.046 0.000 1.035 280 A N -0.565 122.296 122.820 0.067 0.000 2.925 280 A HA -0.098 4.222 4.320 0.000 0.000 0.265 280 A C -0.050 177.551 177.584 0.029 0.000 1.419 280 A CA 0.589 52.653 52.037 0.045 0.000 0.807 280 A CB -2.423 16.605 19.000 0.047 0.000 1.043 280 A HN 0.286 nan 8.150 nan 0.000 0.600 281 V N 0.196 120.137 119.914 0.046 0.000 2.349 281 V HA 0.651 4.771 4.120 0.000 0.000 0.284 281 V C 0.649 176.722 176.094 -0.035 0.000 1.014 281 V CA -0.222 62.093 62.300 0.024 0.000 0.826 281 V CB 1.359 33.263 31.823 0.133 0.000 1.009 281 V HN 1.473 nan 8.190 nan 0.000 0.431 282 A N 4.481 127.259 122.820 -0.071 0.000 2.409 282 A HA 0.441 4.761 4.320 0.000 0.000 0.267 282 A C 0.127 177.674 177.584 -0.062 0.000 1.127 282 A CA -0.132 51.850 52.037 -0.090 0.000 0.795 282 A CB 0.000 18.983 19.000 -0.029 0.000 1.061 282 A HN 0.838 nan 8.150 nan 0.000 0.502 283 C N 2.836 122.079 119.300 -0.094 0.000 2.325 283 C HA 0.371 4.831 4.460 0.000 0.000 0.347 283 C C 1.343 176.298 174.990 -0.059 0.000 1.263 283 C CA -0.269 58.696 59.018 -0.087 0.000 1.806 283 C CB -0.304 27.383 27.740 -0.088 0.000 2.405 283 C HN 1.028 nan 8.230 nan 0.000 0.537 284 E N 0.919 121.106 120.200 -0.022 0.000 2.290 284 E HA 0.100 4.450 4.350 0.000 0.000 0.199 284 E C 0.627 177.218 176.600 -0.015 0.000 0.912 284 E CA 0.212 56.609 56.400 -0.006 0.000 0.924 284 E CB 0.601 30.318 29.700 0.029 0.000 0.901 284 E HN 0.639 nan 8.360 nan 0.000 0.487 285 R N 0.843 121.338 120.500 -0.008 0.000 2.561 285 R HA 0.238 4.578 4.340 0.000 0.000 0.266 285 R C -1.628 174.612 176.300 -0.100 0.000 1.091 285 R CA -0.558 55.516 56.100 -0.043 0.000 0.927 285 R CB 1.590 31.878 30.300 -0.020 0.000 1.240 285 R HN -0.040 nan 8.270 nan 0.000 0.449 286 V N 1.547 121.393 119.914 -0.113 0.000 2.439 286 V HA 0.635 4.755 4.120 0.000 0.000 0.282 286 V C -0.283 175.705 176.094 -0.177 0.000 1.039 286 V CA -0.757 61.434 62.300 -0.182 0.000 0.913 286 V CB 1.579 33.283 31.823 -0.197 0.000 0.983 286 V HN 0.451 nan 8.190 nan 0.000 0.460 287 V N 5.817 125.573 119.914 -0.263 0.000 2.364 287 V HA 0.456 4.576 4.120 0.000 0.000 0.272 287 V C 0.602 176.620 176.094 -0.127 0.000 1.036 287 V CA -0.424 61.738 62.300 -0.231 0.000 0.880 287 V CB 0.890 32.521 31.823 -0.320 0.000 0.991 287 V HN 0.949 nan 8.190 nan 0.000 0.460 288 R N 3.801 124.262 120.500 -0.065 0.000 2.459 288 R HA 0.328 4.668 4.340 0.000 0.000 0.281 288 R C 0.444 176.746 176.300 0.003 0.000 1.050 288 R CA -0.564 55.560 56.100 0.041 0.000 1.055 288 R CB 0.631 30.953 30.300 0.038 0.000 1.045 288 R HN 0.862 nan 8.270 nan 0.000 0.495 289 N N 1.446 120.160 118.700 0.023 0.000 2.322 289 N HA 0.035 4.775 4.740 0.000 0.000 0.270 289 N C 0.572 176.063 175.510 -0.032 0.000 1.286 289 N CA 0.117 53.160 53.050 -0.011 0.000 0.948 289 N CB 0.167 38.649 38.487 -0.009 0.000 1.164 289 N HN 0.524 nan 8.380 nan 0.000 0.551 290 A N -0.368 122.432 122.820 -0.034 0.000 1.877 290 A HA -0.063 4.257 4.320 0.000 0.000 0.216 290 A C 2.043 179.593 177.584 -0.056 0.000 1.186 290 A CA 1.127 53.141 52.037 -0.039 0.000 0.620 290 A CB -0.743 18.240 19.000 -0.028 0.000 0.822 290 A HN 0.527 nan 8.150 nan 0.000 0.443 291 L N -0.323 120.860 121.223 -0.068 0.000 2.450 291 L HA -0.066 4.274 4.340 0.000 0.000 0.224 291 L C 0.461 177.239 176.870 -0.153 0.000 1.149 291 L CA 1.037 55.822 54.840 -0.093 0.000 0.816 291 L CB -1.913 40.093 42.059 -0.088 0.000 0.932 291 L HN 0.505 nan 8.230 nan 0.000 0.449 292 N N 0.100 118.696 118.700 -0.174 0.000 2.735 292 N HA -0.185 4.555 4.740 0.000 0.000 0.248 292 N C 0.815 175.846 175.510 -0.799 0.000 1.083 292 N CA 0.997 53.870 53.050 -0.295 0.000 0.703 292 N CB -0.954 37.435 38.487 -0.163 0.000 1.005 292 N HN 0.580 nan 8.380 nan 0.000 0.550 293 S N -1.882 113.441 115.700 -0.628 0.000 2.819 293 S HA 0.391 4.861 4.470 0.000 0.000 0.249 293 S C 0.093 174.455 174.600 -0.396 0.000 1.030 293 S CA -0.365 57.453 58.200 -0.638 0.000 1.052 293 S CB 1.480 64.511 63.200 -0.282 0.000 1.017 293 S HN 0.351 nan 8.310 nan 0.000 0.576 294 E N 0.409 120.473 120.200 -0.227 0.000 2.401 294 E HA 0.308 4.658 4.350 0.000 0.000 0.283 294 E C -1.832 174.927 176.600 0.265 0.000 1.053 294 E CA -0.732 55.752 56.400 0.138 0.000 0.842 294 E CB 1.150 30.901 29.700 0.086 0.000 1.222 294 E HN 0.100 nan 8.360 nan 0.000 0.429 295 I N 3.690 124.395 120.570 0.225 0.000 2.325 295 I HA 0.104 4.274 4.170 0.000 0.000 0.291 295 I C 1.221 177.290 176.117 -0.080 0.000 1.019 295 I CA 0.304 61.578 61.300 -0.043 0.000 1.302 295 I CB 1.023 38.790 38.000 -0.388 0.000 1.401 295 I HN 0.655 nan 8.210 nan 0.000 0.485 296 E N 3.554 123.704 120.200 -0.084 0.000 2.250 296 E HA 0.032 4.382 4.350 0.000 0.000 0.192 296 E C 0.403 177.013 176.600 0.018 0.000 0.986 296 E CA 0.430 56.834 56.400 0.007 0.000 0.849 296 E CB 0.528 30.232 29.700 0.006 0.000 0.797 296 E HN 0.702 nan 8.360 nan 0.000 0.482 297 S N -0.319 115.287 115.700 -0.157 0.000 2.611 297 S HA 0.396 4.866 4.470 0.000 0.000 0.270 297 S C -1.675 172.818 174.600 -0.179 0.000 1.131 297 S CA -1.062 57.118 58.200 -0.032 0.000 0.826 297 S CB 1.123 64.360 63.200 0.063 0.000 1.095 297 S HN 0.034 nan 8.310 nan 0.000 0.461 298 L N 2.064 123.333 121.223 0.075 0.000 2.296 298 L HA 0.597 4.937 4.340 0.000 0.000 0.286 298 L C -0.724 176.212 176.870 0.109 0.000 1.023 298 L CA -0.118 54.746 54.840 0.040 0.000 0.812 298 L CB 1.075 43.234 42.059 0.166 0.000 1.223 298 L HN 0.918 nan 8.230 nan 0.000 0.421 299 H N 5.927 124.963 119.070 -0.056 0.000 2.604 299 H HA 0.508 5.064 4.556 0.000 0.000 0.306 299 H C -0.456 174.824 175.328 -0.080 0.000 1.075 299 H CA -0.650 55.366 56.048 -0.052 0.000 1.357 299 H CB 1.171 30.906 29.762 -0.044 0.000 1.426 299 H HN 0.666 nan 8.280 nan 0.000 0.470 300 I N 0.352 120.930 120.570 0.013 0.000 2.569 300 I HA 0.342 4.512 4.170 0.000 0.000 0.296 300 I C -0.861 175.307 176.117 0.085 0.000 1.028 300 I CA -1.040 60.225 61.300 -0.058 0.000 1.082 300 I CB 2.012 39.823 38.000 -0.314 0.000 1.264 300 I HN 0.512 nan 8.210 nan 0.000 0.429 301 H N 4.554 123.606 119.070 -0.029 0.000 2.511 301 H HA 0.389 4.945 4.556 0.000 0.000 0.328 301 H C -1.345 174.013 175.328 0.050 0.000 1.044 301 H CA -0.689 55.369 56.048 0.018 0.000 1.212 301 H CB 1.134 30.902 29.762 0.011 0.000 1.428 301 H HN 0.720 nan 8.280 nan 0.000 0.483 302 D N 5.367 125.814 120.400 0.078 0.000 2.325 302 D HA 0.025 4.665 4.640 0.000 0.000 0.251 302 D C 0.932 177.080 176.300 -0.253 0.000 1.196 302 D CA -0.141 53.846 54.000 -0.022 0.000 0.866 302 D CB 0.911 41.815 40.800 0.173 0.000 1.101 302 D HN 0.696 nan 8.370 nan 0.000 0.476 303 L N 4.210 125.285 121.223 -0.247 0.000 2.395 303 L HA -0.062 4.279 4.340 0.000 0.000 0.218 303 L C 2.022 178.847 176.870 -0.074 0.000 1.130 303 L CA 0.116 54.818 54.840 -0.230 0.000 0.826 303 L CB 0.017 42.017 42.059 -0.098 0.000 0.941 303 L HN 0.530 nan 8.230 nan 0.000 0.451 304 I N -0.358 120.199 120.570 -0.022 0.000 2.260 304 I HA -0.163 4.007 4.170 0.000 0.000 0.237 304 I C 2.793 178.928 176.117 0.030 0.000 1.075 304 I CA 1.695 63.005 61.300 0.016 0.000 1.376 304 I CB -1.007 37.013 38.000 0.033 0.000 1.107 304 I HN 0.293 nan 8.210 nan 0.000 0.420 305 S N 0.512 116.243 115.700 0.051 0.000 2.387 305 S HA 0.014 4.484 4.470 0.000 0.000 0.226 305 S C 1.799 176.447 174.600 0.080 0.000 1.026 305 S CA 1.234 59.480 58.200 0.075 0.000 0.972 305 S CB -0.040 63.231 63.200 0.119 0.000 0.814 305 S HN 0.638 nan 8.310 nan 0.000 0.477 306 G N 1.194 110.051 108.800 0.095 0.000 2.184 306 G HA2 -0.130 3.830 3.960 0.000 0.000 0.206 306 G HA3 -0.130 3.830 3.960 0.000 0.000 0.206 306 G C -0.453 174.595 174.900 0.247 0.000 0.995 306 G CA 0.108 45.311 45.100 0.173 0.000 0.651 306 G HN 0.803 nan 8.290 nan 0.000 0.511 307 D N -0.567 119.939 120.400 0.176 0.000 2.506 307 D HA 0.791 5.432 4.640 0.000 0.000 0.254 307 D C 0.400 176.717 176.300 0.029 0.000 1.089 307 D CA -0.911 53.103 54.000 0.023 0.000 1.050 307 D CB 0.743 41.443 40.800 -0.167 0.000 1.221 307 D HN 0.340 nan 8.370 nan 0.000 0.589 308 R N -0.591 119.743 120.500 -0.277 0.000 2.711 308 R HA 0.698 5.038 4.340 0.000 0.000 0.284 308 R C -0.980 174.998 176.300 -0.537 0.000 0.968 308 R CA -0.798 55.163 56.100 -0.232 0.000 0.924 308 R CB 1.359 31.516 30.300 -0.238 0.000 1.162 308 R HN 0.368 nan 8.270 nan 0.000 0.465 309 F N -0.159 119.710 119.950 -0.134 0.000 2.629 309 F HA 0.340 4.867 4.527 0.000 0.000 0.316 309 F C -0.021 175.712 175.800 -0.110 0.000 1.081 309 F CA -0.960 56.970 58.000 -0.117 0.000 0.954 309 F CB 2.183 41.124 39.000 -0.099 0.000 1.337 309 F HN 0.245 nan 8.300 nan 0.000 0.474 310 E N 2.656 122.957 120.200 0.168 0.000 2.145 310 E HA 0.436 4.786 4.350 0.000 0.000 0.270 310 E C -1.124 175.587 176.600 0.184 0.000 0.906 310 E CA -0.588 55.937 56.400 0.207 0.000 0.761 310 E CB 2.016 31.838 29.700 0.203 0.000 1.116 310 E HN 0.242 nan 8.360 nan 0.000 0.408 311 I N 2.938 123.615 120.570 0.179 0.000 2.354 311 I HA 0.277 4.447 4.170 0.000 0.000 0.292 311 I C 0.097 176.376 176.117 0.270 0.000 0.989 311 I CA -0.919 60.501 61.300 0.199 0.000 1.188 311 I CB 1.138 39.245 38.000 0.178 0.000 1.342 311 I HN 0.325 nan 8.210 nan 0.000 0.457 312 K N 5.190 125.730 120.400 0.234 0.000 2.182 312 K HA 0.839 5.159 4.320 0.000 0.000 0.262 312 K C -1.121 175.579 176.600 0.166 0.000 0.957 312 K CA -0.331 56.102 56.287 0.244 0.000 0.842 312 K CB 1.736 34.333 32.500 0.162 0.000 1.099 312 K HN 0.803 nan 8.250 nan 0.000 0.438 313 A N 2.768 125.640 122.820 0.087 0.000 2.594 313 A HA 0.365 4.685 4.320 0.000 0.000 0.291 313 A C -0.238 177.300 177.584 -0.078 0.000 1.105 313 A CA -0.626 51.323 52.037 -0.147 0.000 0.694 313 A CB 1.003 19.681 19.000 -0.538 0.000 1.291 313 A HN 0.814 nan 8.150 nan 0.000 0.410 314 D N -0.611 119.761 120.400 -0.046 0.000 2.097 314 D HA 0.027 4.667 4.640 0.000 0.000 0.197 314 D C 0.188 176.435 176.300 -0.088 0.000 0.984 314 D CA 1.854 55.891 54.000 0.061 0.000 0.826 314 D CB 0.278 41.161 40.800 0.139 0.000 0.973 314 D HN 0.218 nan 8.370 nan 0.000 0.460 315 V N 0.611 120.311 119.914 -0.357 0.000 2.656 315 V HA 0.253 4.373 4.120 0.000 0.000 0.307 315 V C -1.223 174.618 176.094 -0.421 0.000 1.051 315 V CA -0.736 61.333 62.300 -0.385 0.000 0.893 315 V CB 1.774 33.224 31.823 -0.621 0.000 0.999 315 V HN -0.015 nan 8.190 nan 0.000 0.426 316 Y N 2.827 123.123 120.300 -0.007 0.000 2.341 316 Y HA 0.669 5.219 4.550 0.000 0.000 0.338 316 Y C -0.124 175.753 175.900 -0.040 0.000 0.965 316 Y CA -0.903 57.182 58.100 -0.025 0.000 1.108 316 Y CB 2.117 40.564 38.460 -0.022 0.000 1.180 316 Y HN 0.335 nan 8.280 nan 0.000 0.458 317 V N 5.520 125.412 119.914 -0.037 0.000 2.378 317 V HA 0.364 4.484 4.120 0.000 0.000 0.288 317 V C -0.424 175.548 176.094 -0.203 0.000 1.016 317 V CA -0.911 61.254 62.300 -0.225 0.000 0.840 317 V CB 1.397 32.878 31.823 -0.570 0.000 0.994 317 V HN 0.593 nan 8.190 nan 0.000 0.431 318 L N 5.295 126.394 121.223 -0.207 0.000 2.259 318 L HA 0.538 4.878 4.340 0.000 0.000 0.288 318 L C 0.415 177.182 176.870 -0.171 0.000 1.051 318 L CA -0.114 54.618 54.840 -0.181 0.000 0.824 318 L CB 1.187 43.117 42.059 -0.214 0.000 1.206 318 L HN 0.808 nan 8.230 nan 0.000 0.429 319 T N -1.557 112.930 114.554 -0.112 0.000 3.624 319 T HA 0.400 4.750 4.350 0.000 0.000 0.244 319 T C 0.589 175.288 174.700 -0.003 0.000 1.063 319 T CA -0.158 61.914 62.100 -0.047 0.000 1.252 319 T CB 1.058 69.894 68.868 -0.052 0.000 1.021 319 T HN 0.532 nan 8.240 nan 0.000 0.590 320 A N 0.753 123.581 122.820 0.013 0.000 2.387 320 A HA 0.801 5.121 4.320 0.000 0.000 0.234 320 A C 1.326 178.976 177.584 0.109 0.000 1.253 320 A CA 0.035 52.099 52.037 0.046 0.000 0.894 320 A CB -0.585 18.437 19.000 0.036 0.000 0.963 320 A HN 1.729 nan 8.150 nan 0.000 0.508 321 G N -2.392 106.472 108.800 0.108 0.000 2.663 321 G HA2 0.278 4.238 3.960 0.000 0.000 0.686 321 G HA3 0.278 4.238 3.960 0.000 0.000 0.686 321 G C 0.773 175.769 174.900 0.160 0.000 1.246 321 G CA -0.264 44.913 45.100 0.127 0.000 0.795 321 G HN 1.321 nan 8.290 nan 0.000 0.627 322 A N -0.178 122.732 122.820 0.150 0.000 1.948 322 A HA 0.099 4.419 4.320 0.000 0.000 0.220 322 A C 2.640 180.324 177.584 0.168 0.000 1.177 322 A CA 3.497 55.628 52.037 0.156 0.000 0.636 322 A CB -0.396 18.675 19.000 0.118 0.000 0.815 322 A HN 1.635 nan 8.150 nan 0.000 0.449 323 V N -1.297 118.678 119.914 0.102 0.000 2.331 323 V HA -0.169 3.951 4.120 0.000 0.000 0.242 323 V C 2.209 178.295 176.094 -0.013 0.000 1.034 323 V CA 2.076 64.397 62.300 0.035 0.000 1.027 323 V CB -1.050 30.710 31.823 -0.106 0.000 0.667 323 V HN 0.728 nan 8.190 nan 0.000 0.457 324 H N 0.000 119.125 119.070 0.091 0.000 2.495 324 H HA -0.042 4.514 4.556 0.000 0.000 0.287 324 H C 2.283 177.581 175.328 -0.050 0.000 1.033 324 H CA 1.098 57.144 56.048 -0.004 0.000 1.307 324 H CB 0.039 29.785 29.762 -0.027 0.000 1.401 324 H HN 0.326 nan 8.280 nan 0.000 0.555 325 N N -0.110 118.640 118.700 0.083 0.000 2.043 325 N HA -0.131 4.609 4.740 0.000 0.000 0.193 325 N C 1.825 177.296 175.510 -0.065 0.000 1.037 325 N CA 1.941 54.974 53.050 -0.030 0.000 0.851 325 N CB -0.600 37.852 38.487 -0.059 0.000 1.027 325 N HN 0.333 nan 8.380 nan 0.000 0.422 326 T N 0.986 115.577 114.554 0.062 0.000 2.708 326 T HA -0.189 4.161 4.350 0.000 0.000 0.266 326 T C 1.827 176.451 174.700 -0.126 0.000 1.037 326 T CA 1.195 63.359 62.100 0.106 0.000 1.146 326 T CB -0.357 68.720 68.868 0.348 0.000 0.865 326 T HN 0.338 nan 8.240 nan 0.000 0.435 327 Q N 0.331 119.890 119.800 -0.402 0.000 2.112 327 Q HA -0.123 4.217 4.340 0.000 0.000 0.206 327 Q C 2.325 178.043 176.000 -0.471 0.000 0.987 327 Q CA 1.334 56.530 55.803 -1.012 0.000 0.858 327 Q CB -0.312 28.021 28.738 -0.674 0.000 0.905 327 Q HN 0.491 nan 8.270 nan 0.000 0.420 328 L N 0.068 121.148 121.223 -0.238 0.000 2.056 328 L HA -0.180 4.160 4.340 0.000 0.000 0.207 328 L C 2.321 179.112 176.870 -0.131 0.000 1.078 328 L CA 0.755 55.501 54.840 -0.158 0.000 0.749 328 L CB -0.102 41.880 42.059 -0.127 0.000 0.901 328 L HN 0.299 nan 8.230 nan 0.000 0.433 329 L N -1.613 119.517 121.223 -0.154 0.000 2.093 329 L HA -0.201 4.139 4.340 0.000 0.000 0.208 329 L C 2.363 179.286 176.870 0.089 0.000 1.085 329 L CA 0.710 55.480 54.840 -0.116 0.000 0.755 329 L CB -0.397 41.485 42.059 -0.295 0.000 0.904 329 L HN 0.071 nan 8.230 nan 0.000 0.435 330 V N -0.189 119.728 119.914 0.006 0.000 2.453 330 V HA -0.234 3.886 4.120 0.000 0.000 0.247 330 V C 2.057 178.169 176.094 0.031 0.000 1.048 330 V CA 1.856 64.196 62.300 0.067 0.000 1.049 330 V CB -0.593 31.291 31.823 0.100 0.000 0.672 330 V HN 0.482 nan 8.190 nan 0.000 0.457 331 N N 0.108 118.779 118.700 -0.047 0.000 2.459 331 N HA -0.098 4.642 4.740 0.000 0.000 0.181 331 N C 1.530 177.039 175.510 -0.003 0.000 1.046 331 N CA 1.130 54.161 53.050 -0.032 0.000 0.904 331 N CB 0.005 38.449 38.487 -0.071 0.000 0.964 331 N HN 0.405 nan 8.380 nan 0.000 0.444 332 S N -1.610 114.110 115.700 0.034 0.000 2.556 332 S HA 0.324 4.794 4.470 0.000 0.000 0.216 332 S C 1.158 175.744 174.600 -0.022 0.000 0.970 332 S CA 0.247 58.468 58.200 0.036 0.000 0.912 332 S CB 0.659 63.930 63.200 0.119 0.000 0.790 332 S HN 0.525 nan 8.310 nan 0.000 0.504 333 G N 1.004 109.806 108.800 0.003 0.000 2.163 333 G HA2 -0.210 3.750 3.960 0.000 0.000 0.213 333 G HA3 -0.210 3.750 3.960 0.000 0.000 0.213 333 G C -0.077 174.743 174.900 -0.132 0.000 0.991 333 G CA -0.654 44.397 45.100 -0.082 0.000 0.653 333 G HN 0.394 nan 8.290 nan 0.000 0.518 334 F N 0.992 120.919 119.950 -0.038 0.000 2.380 334 F HA 0.540 5.067 4.527 0.000 0.000 0.325 334 F C 1.634 177.448 175.800 0.025 0.000 1.136 334 F CA 1.012 58.998 58.000 -0.024 0.000 1.171 334 F CB 0.719 39.668 39.000 -0.084 0.000 1.230 334 F HN 0.807 nan 8.300 nan 0.000 0.554 335 G N 1.530 110.473 108.800 0.239 0.000 2.578 335 G HA2 -0.290 3.670 3.960 0.000 0.000 0.275 335 G HA3 -0.290 3.670 3.960 0.000 0.000 0.275 335 G C -0.785 174.196 174.900 0.135 0.000 1.271 335 G CA -0.178 45.032 45.100 0.183 0.000 0.941 335 G HN 0.818 nan 8.290 nan 0.000 0.564 336 Q N -1.052 118.831 119.800 0.139 0.000 2.337 336 Q HA 0.633 4.973 4.340 0.000 0.000 0.266 336 Q C -0.723 175.366 176.000 0.148 0.000 1.023 336 Q CA -1.059 54.808 55.803 0.105 0.000 0.829 336 Q CB 1.625 30.401 28.738 0.062 0.000 1.306 336 Q HN 0.681 nan 8.270 nan 0.000 0.449 337 L N 3.326 124.625 121.223 0.125 0.000 2.371 337 L HA 0.648 4.988 4.340 0.000 0.000 0.272 337 L C 0.402 177.353 176.870 0.135 0.000 1.124 337 L CA 1.890 56.827 54.840 0.162 0.000 0.816 337 L CB 0.849 42.981 42.059 0.121 0.000 1.129 337 L HN 0.845 nan 8.230 nan 0.000 0.448 338 G N 3.871 112.804 108.800 0.220 0.000 2.728 338 G HA2 -0.226 3.734 3.960 0.000 0.000 0.294 338 G HA3 -0.226 3.734 3.960 0.000 0.000 0.294 338 G C -0.434 174.386 174.900 -0.134 0.000 1.342 338 G CA -0.154 45.044 45.100 0.162 0.000 0.866 338 G HN 0.922 nan 8.290 nan 0.000 0.534 339 R N 0.776 120.976 120.500 -0.500 0.000 2.522 339 R HA 0.373 4.713 4.340 0.000 0.000 0.284 339 R C -1.938 173.921 176.300 -0.735 0.000 1.032 339 R CA -0.603 54.744 56.100 -1.254 0.000 1.049 339 R CB 0.006 29.836 30.300 -0.784 0.000 0.956 339 R HN 0.341 nan 8.270 nan 0.000 0.422 340 P HA -0.009 nan 4.420 nan 0.000 0.265 340 P C -1.505 175.631 177.300 -0.272 0.000 1.193 340 P CA 0.249 63.103 63.100 -0.410 0.000 0.765 340 P CB 0.409 31.885 31.700 -0.373 0.000 0.823 341 N N 1.793 120.394 118.700 -0.167 0.000 2.310 341 N HA 0.420 5.161 4.740 0.000 0.000 0.292 341 N C -2.516 172.951 175.510 -0.071 0.000 1.049 341 N CA -1.778 51.205 53.050 -0.113 0.000 0.849 341 N CB 1.757 40.186 38.487 -0.097 0.000 1.532 341 N HN -0.005 nan 8.380 nan 0.000 0.479 342 P HA -0.086 nan 4.420 nan 0.000 0.217 342 P C 0.608 177.893 177.300 -0.026 0.000 1.151 342 P CA 1.171 64.249 63.100 -0.036 0.000 0.828 342 P CB -0.098 31.582 31.700 -0.033 0.000 0.788 343 T N -3.103 111.433 114.554 -0.030 0.000 3.667 343 T HA 0.163 4.513 4.350 0.000 0.000 0.240 343 T C 0.201 174.888 174.700 -0.021 0.000 0.919 343 T CA -0.235 61.852 62.100 -0.022 0.000 0.928 343 T CB -1.586 67.269 68.868 -0.022 0.000 1.151 343 T HN 0.023 nan 8.240 nan 0.000 0.644 344 N N 1.397 120.085 118.700 -0.020 0.000 3.211 344 N HA 0.208 4.948 4.740 0.000 0.000 0.183 344 N C -3.109 172.396 175.510 -0.009 0.000 1.447 344 N CA -0.813 52.228 53.050 -0.015 0.000 0.840 344 N CB 1.087 39.562 38.487 -0.020 0.000 1.611 344 N HN 0.109 nan 8.380 nan 0.000 0.610 345 P HA 0.247 nan 4.420 nan 0.000 0.269 345 P C -2.581 174.728 177.300 0.014 0.000 1.209 345 P CA -0.666 62.439 63.100 0.008 0.000 0.776 345 P CB 0.198 31.905 31.700 0.011 0.000 0.876 346 P HA 0.235 nan 4.420 nan 0.000 0.277 346 P C 0.737 178.058 177.300 0.035 0.000 1.240 346 P CA -0.246 62.874 63.100 0.034 0.000 0.798 346 P CB 1.453 33.187 31.700 0.057 0.000 0.979 347 E N 0.165 120.380 120.200 0.024 0.000 2.107 347 E HA -0.000 4.350 4.350 0.000 0.000 0.191 347 E C 0.231 176.859 176.600 0.048 0.000 0.982 347 E CA 0.844 57.257 56.400 0.022 0.000 0.809 347 E CB 0.082 29.782 29.700 -0.000 0.000 0.756 347 E HN 0.425 nan 8.360 nan 0.000 0.459 348 L N 0.985 122.245 121.223 0.061 0.000 2.346 348 L HA 0.304 4.644 4.340 0.000 0.000 0.276 348 L C -0.033 176.949 176.870 0.188 0.000 1.006 348 L CA -0.723 54.193 54.840 0.126 0.000 0.817 348 L CB 1.815 43.909 42.059 0.058 0.000 1.272 348 L HN 0.077 nan 8.230 nan 0.000 0.421 349 L N 3.524 124.880 121.223 0.222 0.000 3.887 349 L HA -0.186 4.154 4.340 0.000 0.000 0.546 349 L C -1.462 175.510 176.870 0.170 0.000 1.196 349 L CA -0.534 54.434 54.840 0.214 0.000 0.777 349 L CB -0.888 41.325 42.059 0.258 0.000 1.346 349 L HN 0.591 nan 8.230 nan 0.000 0.810 350 P HA -0.114 nan 4.420 nan 0.000 0.222 350 P C 1.248 178.639 177.300 0.152 0.000 1.147 350 P CA 1.109 64.281 63.100 0.121 0.000 0.790 350 P CB 0.299 32.053 31.700 0.090 0.000 0.780 351 S N -0.490 115.316 115.700 0.177 0.000 2.562 351 S HA 0.040 4.510 4.470 0.000 0.000 0.221 351 S C 0.867 175.615 174.600 0.247 0.000 0.975 351 S CA -0.357 57.991 58.200 0.246 0.000 0.918 351 S CB -0.735 62.593 63.200 0.213 0.000 0.772 351 S HN 0.079 nan 8.310 nan 0.000 0.531 352 L N 2.675 124.023 121.223 0.209 0.000 2.534 352 L HA 0.398 4.738 4.340 0.000 0.000 0.271 352 L C 1.129 178.132 176.870 0.221 0.000 1.178 352 L CA 1.004 55.971 54.840 0.212 0.000 0.907 352 L CB -0.582 41.593 42.059 0.194 0.000 1.164 352 L HN 0.345 nan 8.230 nan 0.000 0.482 353 G N 2.450 111.388 108.800 0.230 0.000 2.148 353 G HA2 -0.268 3.692 3.960 0.000 0.000 0.254 353 G HA3 -0.268 3.692 3.960 0.000 0.000 0.254 353 G C 0.444 175.454 174.900 0.184 0.000 0.981 353 G CA 0.369 45.592 45.100 0.205 0.000 0.670 353 G HN 0.830 nan 8.290 nan 0.000 0.528 354 S N -1.780 114.048 115.700 0.214 0.000 2.739 354 S HA 0.651 5.121 4.470 0.000 0.000 0.306 354 S C 0.479 175.253 174.600 0.290 0.000 1.115 354 S CA 0.061 58.360 58.200 0.164 0.000 0.985 354 S CB 0.781 64.054 63.200 0.122 0.000 1.133 354 S HN 0.894 nan 8.310 nan 0.000 0.541 355 Y N -0.868 119.497 120.300 0.108 0.000 4.079 355 Y HA -0.214 4.336 4.550 0.000 0.000 0.223 355 Y C 0.487 176.468 175.900 0.134 0.000 1.155 355 Y CA 0.291 58.455 58.100 0.106 0.000 1.805 355 Y CB -2.072 36.447 38.460 0.099 0.000 1.571 355 Y HN 0.581 nan 8.280 nan 0.000 0.654 356 I N -0.038 120.681 120.570 0.249 0.000 2.588 356 I HA 0.455 4.625 4.170 0.000 0.000 0.283 356 I C 0.637 176.924 176.117 0.284 0.000 1.119 356 I CA 0.317 61.770 61.300 0.255 0.000 1.419 356 I CB 1.240 39.395 38.000 0.258 0.000 1.394 356 I HN 0.179 nan 8.210 nan 0.000 0.562 357 T N 1.970 116.661 114.554 0.228 0.000 2.829 357 T HA 0.647 4.997 4.350 0.000 0.000 0.280 357 T C -0.553 174.204 174.700 0.094 0.000 0.999 357 T CA -0.698 61.527 62.100 0.209 0.000 0.983 357 T CB 2.010 70.943 68.868 0.108 0.000 0.968 357 T HN 0.789 nan 8.240 nan 0.000 0.446 358 E N 1.352 121.588 120.200 0.061 0.000 2.288 358 E HA 0.384 4.734 4.350 0.000 0.000 0.268 358 E C -0.954 175.770 176.600 0.207 0.000 0.885 358 E CA -0.663 55.709 56.400 -0.047 0.000 0.767 358 E CB 1.895 31.320 29.700 -0.458 0.000 1.220 358 E HN 0.709 nan 8.360 nan 0.000 0.427 359 Q N 1.002 120.934 119.800 0.220 0.000 2.259 359 Q HA 0.476 4.816 4.340 0.000 0.000 0.246 359 Q C -0.468 175.748 176.000 0.360 0.000 0.920 359 Q CA -0.679 55.306 55.803 0.303 0.000 0.895 359 Q CB 1.473 30.402 28.738 0.319 0.000 1.220 359 Q HN 0.448 nan 8.270 nan 0.000 0.439 360 S N 1.537 117.362 115.700 0.210 0.000 2.564 360 S HA 0.303 4.773 4.470 0.000 0.000 0.278 360 S C -0.640 173.995 174.600 0.058 0.000 1.333 360 S CA -0.437 57.741 58.200 -0.038 0.000 1.048 360 S CB 0.344 63.423 63.200 -0.202 0.000 0.900 360 S HN 0.377 nan 8.310 nan 0.000 0.505 361 L N 4.547 125.774 121.223 0.007 0.000 2.406 361 L HA 0.681 5.021 4.340 0.000 0.000 0.272 361 L C -0.757 175.983 176.870 -0.216 0.000 0.980 361 L CA -0.679 54.074 54.840 -0.145 0.000 0.831 361 L CB 1.605 43.563 42.059 -0.168 0.000 1.253 361 L HN 0.482 nan 8.230 nan 0.000 0.406 362 V N 2.200 121.908 119.914 -0.342 0.000 2.667 362 V HA 0.765 4.885 4.120 0.000 0.000 0.308 362 V C -1.001 174.991 176.094 -0.170 0.000 1.048 362 V CA -0.618 61.423 62.300 -0.432 0.000 0.928 362 V CB 1.667 33.032 31.823 -0.763 0.000 1.004 362 V HN 0.802 nan 8.190 nan 0.000 0.444 363 F N 4.732 124.496 119.950 -0.310 0.000 2.608 363 F HA 0.868 5.395 4.527 0.000 0.000 0.309 363 F C -0.442 175.244 175.800 -0.190 0.000 1.103 363 F CA -0.208 57.691 58.000 -0.170 0.000 0.954 363 F CB 1.523 40.462 39.000 -0.102 0.000 1.267 363 F HN 1.223 nan 8.300 nan 0.000 0.444 364 C N 2.831 121.504 119.300 -1.044 0.000 3.321 364 C HA 0.764 5.224 4.460 0.000 0.000 0.329 364 C C -1.785 172.713 174.990 -0.819 0.000 1.394 364 C CA -0.714 57.693 59.018 -1.018 0.000 1.291 364 C CB 1.634 28.978 27.740 -0.661 0.000 1.606 364 C HN 0.974 nan 8.230 nan 0.000 0.463 365 Q N 0.805 120.324 119.800 -0.468 0.000 2.345 365 Q HA 0.756 5.096 4.340 0.000 0.000 0.268 365 Q C -0.303 175.729 176.000 0.054 0.000 1.054 365 Q CA -0.218 55.528 55.803 -0.095 0.000 0.835 365 Q CB 2.692 31.372 28.738 -0.098 0.000 1.339 365 Q HN 0.931 nan 8.270 nan 0.000 0.447 366 T N -2.166 112.504 114.554 0.193 0.000 2.942 366 T HA 0.785 5.135 4.350 0.000 0.000 0.289 366 T C -0.110 174.651 174.700 0.102 0.000 1.044 366 T CA -0.626 61.556 62.100 0.138 0.000 1.023 366 T CB 1.221 70.189 68.868 0.166 0.000 1.123 366 T HN 0.286 nan 8.240 nan 0.000 0.512 370 T N 1.611 116.162 114.554 -0.005 0.000 2.720 370 T HA -0.113 4.237 4.350 0.000 0.000 0.268 370 T C 1.505 176.209 174.700 0.007 0.000 1.037 370 T CA 2.126 64.227 62.100 0.002 0.000 1.144 370 T CB -0.545 68.321 68.868 -0.004 0.000 0.864 370 T HN 0.731 nan 8.240 nan 0.000 0.444 371 E N 0.459 120.659 120.200 0.001 0.000 2.058 371 E HA -0.071 4.279 4.350 0.000 0.000 0.194 371 E C 2.230 178.841 176.600 0.019 0.000 0.997 371 E CA 0.890 57.292 56.400 0.004 0.000 0.801 371 E CB -0.237 29.458 29.700 -0.008 0.000 0.746 371 E HN 0.412 nan 8.360 nan 0.000 0.450 372 L N 0.645 121.882 121.223 0.024 0.000 2.093 372 L HA -0.187 4.153 4.340 0.000 0.000 0.208 372 L C 2.334 179.240 176.870 0.059 0.000 1.085 372 L CA 0.391 55.259 54.840 0.046 0.000 0.755 372 L CB -0.239 41.849 42.059 0.049 0.000 0.904 372 L HN 0.221 nan 8.230 nan 0.000 0.435 373 I N 0.051 120.646 120.570 0.042 0.000 2.142 373 I HA -0.281 3.889 4.170 0.000 0.000 0.240 373 I C 2.157 178.300 176.117 0.044 0.000 1.078 373 I CA 1.523 62.846 61.300 0.038 0.000 1.343 373 I CB -1.171 36.845 38.000 0.025 0.000 1.046 373 I HN 0.247 nan 8.210 nan 0.000 0.405 374 D N 0.518 120.942 120.400 0.039 0.000 2.221 374 D HA -0.148 4.492 4.640 0.000 0.000 0.204 374 D C 2.344 178.675 176.300 0.051 0.000 0.982 374 D CA 1.554 55.578 54.000 0.040 0.000 0.857 374 D CB -0.115 40.702 40.800 0.029 0.000 0.934 374 D HN 0.366 nan 8.370 nan 0.000 0.475 375 S N -0.405 115.334 115.700 0.065 0.000 2.481 375 S HA -0.059 4.412 4.470 0.000 0.000 0.231 375 S C 2.045 176.725 174.600 0.133 0.000 0.996 375 S CA 0.360 58.618 58.200 0.096 0.000 0.942 375 S CB -0.167 63.086 63.200 0.088 0.000 0.768 375 S HN 0.058 nan 8.310 nan 0.000 0.520 376 V N 2.424 122.413 119.914 0.125 0.000 2.407 376 V HA -0.123 3.997 4.120 0.000 0.000 0.248 376 V C 1.928 178.061 176.094 0.064 0.000 1.055 376 V CA 2.099 64.498 62.300 0.165 0.000 1.049 376 V CB -0.697 31.187 31.823 0.101 0.000 0.662 376 V HN 0.805 nan 8.190 nan 0.000 0.455 377 K N 0.113 120.538 120.400 0.042 0.000 2.593 377 K HA 0.216 4.536 4.320 0.000 0.000 0.208 377 K C 1.317 177.937 176.600 0.034 0.000 1.051 377 K CA 0.603 56.908 56.287 0.030 0.000 1.111 377 K CB 0.242 32.766 32.500 0.040 0.000 0.849 377 K HN 0.356 nan 8.250 nan 0.000 0.479 378 S N -0.546 115.182 115.700 0.047 0.000 2.447 378 S HA -0.093 4.377 4.470 0.000 0.000 0.233 378 S C 0.461 175.088 174.600 0.046 0.000 1.006 378 S CA 0.508 58.740 58.200 0.055 0.000 0.957 378 S CB -0.331 62.912 63.200 0.072 0.000 0.773 378 S HN 0.309 nan 8.310 nan 0.000 0.507 382 I N 3.173 123.728 120.570 -0.025 0.000 2.330 382 I HA 0.580 4.750 4.170 0.000 0.000 0.289 382 I C 0.353 176.450 176.117 -0.032 0.000 1.001 382 I CA -0.435 60.831 61.300 -0.057 0.000 1.193 382 I CB 1.197 39.204 38.000 0.011 0.000 1.345 382 I HN 0.283 nan 8.210 nan 0.000 0.461 383 R N 4.096 124.550 120.500 -0.076 0.000 2.686 383 R HA 0.824 5.164 4.340 0.000 0.000 0.283 383 R C 0.008 176.329 176.300 0.035 0.000 0.978 383 R CA -0.637 55.456 56.100 -0.013 0.000 0.897 383 R CB 2.223 32.509 30.300 -0.023 0.000 1.192 383 R HN 0.874 nan 8.270 nan 0.000 0.457 384 G N 0.663 109.526 108.800 0.104 0.000 2.472 384 G HA2 -0.201 3.759 3.960 0.000 0.000 0.205 384 G HA3 -0.201 3.759 3.960 0.000 0.000 0.205 384 G C -1.060 173.978 174.900 0.229 0.000 1.270 384 G CA -0.477 44.722 45.100 0.164 0.000 0.974 384 G HN 0.652 nan 8.290 nan 0.000 0.542 385 T N -0.315 114.364 114.554 0.208 0.000 2.847 385 T HA 0.662 5.012 4.350 0.000 0.000 0.291 385 T C -2.960 171.649 174.700 -0.152 0.000 0.998 385 T CA -1.378 60.756 62.100 0.056 0.000 0.967 385 T CB 2.269 71.148 68.868 0.018 0.000 0.954 385 T HN 0.490 nan 8.240 nan 0.000 0.441 386 P HA 0.237 nan 4.420 nan 0.000 0.258 386 P C 1.249 178.301 177.300 -0.413 0.000 1.172 386 P CA 1.326 63.863 63.100 -0.938 0.000 0.762 386 P CB 0.078 31.393 31.700 -0.640 0.000 0.764 387 G N 1.640 110.243 108.800 -0.327 0.000 2.194 387 G HA2 -0.197 3.763 3.960 0.000 0.000 0.236 387 G HA3 -0.197 3.763 3.960 0.000 0.000 0.236 387 G C 0.266 175.130 174.900 -0.061 0.000 0.987 387 G CA -0.337 44.681 45.100 -0.137 0.000 0.635 387 G HN 0.528 nan 8.290 nan 0.000 0.520 388 E N -0.563 119.613 120.200 -0.041 0.000 2.292 388 E HA 0.574 4.924 4.350 0.000 0.000 0.258 388 E C 1.593 178.224 176.600 0.051 0.000 1.115 388 E CA -0.648 55.760 56.400 0.013 0.000 0.929 388 E CB 1.209 30.924 29.700 0.025 0.000 1.161 388 E HN 0.069 nan 8.360 nan 0.000 0.453 389 L N 0.537 121.786 121.223 0.043 0.000 1.990 389 L HA -0.210 4.130 4.340 0.000 0.000 0.213 389 L C 2.201 179.110 176.870 0.064 0.000 1.072 389 L CA 1.795 56.661 54.840 0.044 0.000 0.755 389 L CB -0.201 41.876 42.059 0.030 0.000 0.889 389 L HN 0.461 nan 8.230 nan 0.000 0.432 390 T N -1.859 112.739 114.554 0.074 0.000 3.243 390 T HA 0.046 4.396 4.350 0.000 0.000 0.264 390 T C -0.230 174.534 174.700 0.106 0.000 1.000 390 T CA -0.532 61.608 62.100 0.067 0.000 0.901 390 T CB -0.484 68.409 68.868 0.042 0.000 1.083 390 T HN 0.094 nan 8.240 nan 0.000 0.559 391 Y N 2.207 122.507 120.300 0.001 0.000 2.569 391 Y HA 0.467 5.017 4.550 0.000 0.000 0.332 391 Y C 0.187 176.089 175.900 0.003 0.000 1.120 391 Y CA -0.324 57.777 58.100 0.002 0.000 1.416 391 Y CB 0.323 38.783 38.460 0.000 0.000 1.210 391 Y HN 0.154 nan 8.280 nan 0.000 0.528 392 S N 5.129 120.576 115.700 -0.422 0.000 2.571 392 S HA 0.759 5.229 4.470 0.000 0.000 0.284 392 S C -1.866 172.464 174.600 -0.449 0.000 1.128 392 S CA -0.679 57.316 58.200 -0.342 0.000 0.970 392 S CB 0.761 63.869 63.200 -0.153 0.000 1.039 392 S HN 0.456 nan 8.310 nan 0.000 0.485 393 V N 4.413 124.127 119.914 -0.333 0.000 2.483 393 V HA 0.731 4.851 4.120 0.000 0.000 0.297 393 V C -0.061 175.997 176.094 -0.060 0.000 1.027 393 V CA -0.598 61.581 62.300 -0.203 0.000 0.855 393 V CB 1.335 33.053 31.823 -0.175 0.000 0.995 393 V HN 1.008 nan 8.190 nan 0.000 0.424 394 T N 1.524 116.071 114.554 -0.012 0.000 2.841 394 T HA 0.884 5.234 4.350 0.000 0.000 0.296 394 T C -1.020 173.757 174.700 0.129 0.000 1.166 394 T CA -0.852 61.265 62.100 0.028 0.000 1.007 394 T CB 2.320 71.158 68.868 -0.051 0.000 1.253 394 T HN 0.914 nan 8.240 nan 0.000 0.511 395 Y N -1.914 118.379 120.300 -0.012 0.000 2.625 395 Y HA 0.736 5.286 4.550 0.000 0.000 0.338 395 Y C -1.056 174.843 175.900 -0.002 0.000 1.123 395 Y CA -1.250 56.848 58.100 -0.004 0.000 1.046 395 Y CB 0.918 39.383 38.460 0.009 0.000 1.299 395 Y HN 0.647 nan 8.280 nan 0.000 0.464 396 T N 4.246 118.802 114.554 0.003 0.000 2.738 396 T HA 0.375 4.725 4.350 0.000 0.000 0.298 396 T C -2.794 171.916 174.700 0.017 0.000 0.962 396 T CA -1.351 60.699 62.100 -0.083 0.000 0.972 396 T CB 0.620 69.484 68.868 -0.007 0.000 0.928 396 T HN 0.359 nan 8.240 nan 0.000 0.474 397 P HA 0.204 nan 4.420 nan 0.000 0.264 397 P C 1.064 178.426 177.300 0.103 0.000 1.193 397 P CA 0.534 63.695 63.100 0.101 0.000 0.763 397 P CB 0.260 31.955 31.700 -0.008 0.000 0.810 398 G N 1.989 110.872 108.800 0.138 0.000 2.203 398 G HA2 -0.164 3.796 3.960 0.000 0.000 0.263 398 G HA3 -0.164 3.796 3.960 0.000 0.000 0.263 398 G C 0.441 175.368 174.900 0.045 0.000 1.012 398 G CA 0.080 45.226 45.100 0.077 0.000 0.749 398 G HN 0.851 nan 8.290 nan 0.000 0.512 399 A N -0.122 122.727 122.820 0.050 0.000 2.340 399 A HA 0.755 5.075 4.320 0.000 0.000 0.268 399 A C 1.692 179.278 177.584 0.004 0.000 1.100 399 A CA 0.910 52.961 52.037 0.024 0.000 0.803 399 A CB 0.508 19.525 19.000 0.029 0.000 1.043 399 A HN 1.401 nan 8.150 nan 0.000 0.488 400 S N 0.869 116.565 115.700 -0.006 0.000 2.399 400 S HA -0.176 4.294 4.470 0.000 0.000 0.231 400 S C 1.551 176.131 174.600 -0.034 0.000 1.022 400 S CA 1.781 59.970 58.200 -0.019 0.000 0.983 400 S CB -0.970 62.220 63.200 -0.016 0.000 0.803 400 S HN 1.019 nan 8.310 nan 0.000 0.480 401 T N 0.068 114.605 114.554 -0.028 0.000 3.035 401 T HA 0.072 4.422 4.350 0.000 0.000 0.268 401 T C 0.579 175.244 174.700 -0.058 0.000 1.109 401 T CA -0.003 62.074 62.100 -0.039 0.000 1.119 401 T CB -0.626 68.227 68.868 -0.024 0.000 0.900 401 T HN 0.198 nan 8.240 nan 0.000 0.503 402 N N 2.145 120.816 118.700 -0.049 0.000 2.454 402 N HA 0.175 4.915 4.740 0.000 0.000 0.260 402 N C 0.654 176.057 175.510 -0.179 0.000 1.218 402 N CA 0.098 53.103 53.050 -0.075 0.000 0.904 402 N CB 1.102 39.569 38.487 -0.034 0.000 1.065 402 N HN 0.246 nan 8.380 nan 0.000 0.462 403 K N 0.896 121.124 120.400 -0.287 0.000 2.393 403 K HA 0.141 4.461 4.320 0.000 0.000 0.193 403 K C -0.315 175.694 176.600 -0.985 0.000 1.026 403 K CA 0.513 56.454 56.287 -0.577 0.000 1.064 403 K CB 0.240 32.351 32.500 -0.649 0.000 0.833 403 K HN 0.556 nan 8.250 nan 0.000 0.521 404 H N -0.539 118.237 119.070 -0.490 0.000 2.821 404 H HA 0.275 4.831 4.556 0.000 0.000 0.373 404 H C -2.545 172.504 175.328 -0.464 0.000 1.165 404 H CA -2.413 53.202 56.048 -0.723 0.000 1.154 404 H CB 1.466 30.442 29.762 -1.310 0.000 1.765 404 H HN -0.102 nan 8.280 nan 0.000 0.549 405 P HA -0.037 nan 4.420 nan 0.000 0.270 405 P C 0.253 177.385 177.300 -0.280 0.000 1.223 405 P CA -0.124 62.808 63.100 -0.281 0.000 0.785 405 P CB 1.352 32.804 31.700 -0.412 0.000 0.923 406 D N 1.079 121.440 120.400 -0.065 0.000 2.133 406 D HA -0.182 4.458 4.640 0.000 0.000 0.192 406 D C 1.930 178.246 176.300 0.027 0.000 1.001 406 D CA 1.553 55.584 54.000 0.053 0.000 0.844 406 D CB -0.628 40.305 40.800 0.223 0.000 0.944 406 D HN 0.632 nan 8.370 nan 0.000 0.447 407 W N 0.300 121.662 121.300 0.104 0.000 2.374 407 W HA -0.128 4.532 4.660 0.000 0.000 0.288 407 W C 1.964 178.540 176.519 0.096 0.000 1.218 407 W CA 0.142 57.541 57.345 0.091 0.000 1.245 407 W CB -1.387 28.123 29.460 0.083 0.000 1.126 407 W HN 0.095 nan 8.180 nan 0.000 0.545 408 W N 3.716 124.549 121.300 -0.779 0.000 2.354 408 W HA -0.215 4.445 4.660 0.000 0.000 0.315 408 W C 1.823 178.093 176.519 -0.415 0.000 1.206 408 W CA 1.960 58.897 57.345 -0.680 0.000 1.290 408 W CB -1.012 27.948 29.460 -0.833 0.000 1.152 408 W HN -0.102 nan 8.180 nan 0.000 0.489 409 N N 0.940 119.598 118.700 -0.071 0.000 2.104 409 N HA -0.219 4.521 4.740 0.000 0.000 0.190 409 N C 1.524 176.813 175.510 -0.368 0.000 1.024 409 N CA 2.098 54.905 53.050 -0.404 0.000 0.853 409 N CB -0.831 36.965 38.487 -1.153 0.000 1.008 409 N HN 0.251 nan 8.380 nan 0.000 0.424 410 E N 1.399 121.489 120.200 -0.184 0.000 2.031 410 E HA -0.096 4.254 4.350 0.000 0.000 0.193 410 E C 1.723 178.368 176.600 0.075 0.000 0.994 410 E CA 1.396 57.854 56.400 0.096 0.000 0.800 410 E CB -0.040 29.784 29.700 0.205 0.000 0.752 410 E HN 0.225 nan 8.360 nan 0.000 0.447 411 K N -0.598 119.833 120.400 0.052 0.000 2.063 411 K HA -0.124 4.196 4.320 0.000 0.000 0.208 411 K C 2.064 178.650 176.600 -0.023 0.000 1.048 411 K CA 1.450 57.751 56.287 0.024 0.000 0.928 411 K CB -0.137 32.367 32.500 0.008 0.000 0.713 411 K HN 0.034 nan 8.250 nan 0.000 0.442 412 V N 1.448 121.309 119.914 -0.088 0.000 2.307 412 V HA -0.248 3.872 4.120 0.000 0.000 0.245 412 V C 2.295 178.409 176.094 0.033 0.000 1.045 412 V CA 1.624 63.882 62.300 -0.069 0.000 1.024 412 V CB -0.397 31.364 31.823 -0.104 0.000 0.651 412 V HN 0.332 nan 8.190 nan 0.000 0.449 413 K N 0.366 120.793 120.400 0.044 0.000 2.032 413 K HA -0.234 4.086 4.320 0.000 0.000 0.209 413 K C 2.033 178.682 176.600 0.082 0.000 1.048 413 K CA 1.957 58.298 56.287 0.090 0.000 0.927 413 K CB -0.208 32.398 32.500 0.177 0.000 0.712 413 K HN 0.456 nan 8.250 nan 0.000 0.441 414 N N 0.336 119.087 118.700 0.085 0.000 2.188 414 N HA -0.138 4.602 4.740 0.000 0.000 0.184 414 N C 0.969 176.517 175.510 0.064 0.000 1.018 414 N CA 0.774 53.864 53.050 0.066 0.000 0.858 414 N CB -0.604 37.925 38.487 0.071 0.000 0.989 414 N HN 0.387 nan 8.380 nan 0.000 0.426 419 H N 1.898 120.865 119.070 -0.171 0.000 2.386 419 H HA 0.234 4.790 4.556 0.000 0.000 0.232 419 H C 0.379 175.612 175.328 -0.157 0.000 1.416 419 H CA -0.023 55.917 56.048 -0.180 0.000 1.285 419 H CB 0.593 30.131 29.762 -0.374 0.000 1.625 419 H HN 0.268 nan 8.280 nan 0.000 0.521 420 Q N 0.337 120.120 119.800 -0.027 0.000 2.439 420 Q HA -0.149 4.191 4.340 0.000 0.000 0.211 420 Q C 0.669 176.617 176.000 -0.087 0.000 0.978 420 Q CA 1.231 56.975 55.803 -0.097 0.000 0.897 420 Q CB 0.084 28.716 28.738 -0.176 0.000 0.956 420 Q HN 0.581 nan 8.270 nan 0.000 0.483 421 E N 1.038 121.236 120.200 -0.004 0.000 2.481 421 E HA 0.009 4.359 4.350 0.000 0.000 0.195 421 E C -0.226 176.405 176.600 0.051 0.000 1.047 421 E CA 0.362 56.774 56.400 0.020 0.000 0.867 421 E CB 0.111 29.844 29.700 0.054 0.000 0.858 421 E HN 0.176 nan 8.360 nan 0.000 0.513 422 D N 0.928 121.367 120.400 0.065 0.000 2.233 422 D HA 0.144 4.784 4.640 0.000 0.000 0.240 422 D C -1.624 174.728 176.300 0.086 0.000 1.074 422 D CA -2.325 51.740 54.000 0.108 0.000 0.838 422 D CB 1.288 42.169 40.800 0.136 0.000 1.124 422 D HN -0.177 nan 8.370 nan 0.000 0.475 423 P HA 0.139 nan 4.420 nan 0.000 0.255 423 P C -0.249 177.100 177.300 0.082 0.000 1.248 423 P CA 0.089 63.231 63.100 0.070 0.000 0.807 423 P CB 0.404 32.135 31.700 0.052 0.000 1.150 424 L N 1.851 123.139 121.223 0.108 0.000 2.334 424 L HA 0.369 4.709 4.340 0.000 0.000 0.275 424 L C -1.393 175.516 176.870 0.066 0.000 1.036 424 L CA -2.166 52.712 54.840 0.064 0.000 0.807 424 L CB 2.303 44.379 42.059 0.029 0.000 1.231 424 L HN -0.271 nan 8.230 nan 0.000 0.438 425 P HA 0.123 nan 4.420 nan 0.000 0.261 425 P C 0.188 177.333 177.300 -0.258 0.000 1.268 425 P CA 0.331 63.413 63.100 -0.031 0.000 0.833 425 P CB 0.403 32.099 31.700 -0.006 0.000 1.231 426 I N 2.482 122.847 120.570 -0.343 0.000 2.441 426 I HA 0.193 4.363 4.170 0.000 0.000 0.287 426 I C -2.111 173.537 176.117 -0.781 0.000 1.049 426 I CA -2.518 58.527 61.300 -0.426 0.000 1.381 426 I CB 0.437 38.288 38.000 -0.249 0.000 1.409 426 I HN -0.191 nan 8.210 nan 0.000 0.523 427 P HA 0.074 nan 4.420 nan 0.000 0.271 427 P C 0.313 177.408 177.300 -0.342 0.000 1.218 427 P CA -0.171 62.544 63.100 -0.641 0.000 0.780 427 P CB 0.366 31.923 31.700 -0.237 0.000 0.901 428 F N 0.754 120.640 119.950 -0.106 0.000 2.120 428 F HA -0.155 4.372 4.527 0.000 0.000 0.300 428 F C 1.713 177.499 175.800 -0.022 0.000 1.095 428 F CA 1.654 59.624 58.000 -0.050 0.000 1.249 428 F CB -1.275 37.708 39.000 -0.028 0.000 0.995 428 F HN 0.414 nan 8.300 nan 0.000 0.480 429 E N -0.437 119.870 120.200 0.178 0.000 2.403 429 E HA -0.016 4.334 4.350 0.000 0.000 0.188 429 E C -0.179 176.458 176.600 0.062 0.000 1.056 429 E CA -0.210 56.259 56.400 0.115 0.000 0.892 429 E CB -0.298 29.466 29.700 0.106 0.000 1.049 429 E HN 0.162 nan 8.360 nan 0.000 0.465 430 D N 2.218 122.637 120.400 0.031 0.000 2.472 430 D HA 0.002 4.642 4.640 0.000 0.000 0.248 430 D C -2.283 174.054 176.300 0.061 0.000 1.174 430 D CA -1.425 52.580 54.000 0.009 0.000 0.883 430 D CB 0.707 41.476 40.800 -0.052 0.000 1.149 430 D HN -0.100 nan 8.370 nan 0.000 0.488 431 P HA 0.070 nan 4.420 nan 0.000 0.272 431 P C -0.470 176.970 177.300 0.233 0.000 1.230 431 P CA -0.362 62.841 63.100 0.172 0.000 0.788 431 P CB 0.412 32.187 31.700 0.125 0.000 0.949 432 E N 2.522 122.894 120.200 0.287 0.000 2.392 432 E HA 0.174 4.524 4.350 0.000 0.000 0.259 432 E C -2.309 174.362 176.600 0.117 0.000 1.108 432 E CA -2.032 54.459 56.400 0.152 0.000 0.916 432 E CB -1.017 28.736 29.700 0.089 0.000 0.989 432 E HN 0.313 nan 8.360 nan 0.000 0.432 433 P HA 0.065 nan 4.420 nan 0.000 0.275 433 P C -0.491 176.862 177.300 0.090 0.000 1.228 433 P CA -0.078 63.128 63.100 0.177 0.000 0.786 433 P CB 0.572 32.313 31.700 0.068 0.000 0.927 434 Q N 1.456 121.434 119.800 0.297 0.000 3.605 434 Q HA 0.347 4.687 4.340 0.000 0.000 0.222 434 Q C -1.052 175.063 176.000 0.192 0.000 0.915 434 Q CA -0.371 55.461 55.803 0.047 0.000 0.731 434 Q CB 1.369 29.897 28.738 -0.350 0.000 1.423 434 Q HN 0.202 nan 8.270 nan 0.000 0.446 435 V N 0.636 120.593 119.914 0.072 0.000 2.680 435 V HA 0.756 4.876 4.120 0.000 0.000 0.309 435 V C -0.050 176.051 176.094 0.012 0.000 1.052 435 V CA -0.503 61.825 62.300 0.047 0.000 0.908 435 V CB 2.218 34.013 31.823 -0.047 0.000 1.001 435 V HN 0.491 nan 8.190 nan 0.000 0.431 436 T N 1.699 116.279 114.554 0.043 0.000 2.903 436 T HA 0.550 4.900 4.350 0.000 0.000 0.299 436 T C -0.941 173.677 174.700 -0.136 0.000 1.093 436 T CA -0.317 61.747 62.100 -0.061 0.000 1.002 436 T CB 1.937 70.743 68.868 -0.103 0.000 1.127 436 T HN 0.825 nan 8.240 nan 0.000 0.488 437 T N 4.382 118.718 114.554 -0.363 0.000 2.791 437 T HA 0.585 4.935 4.350 0.000 0.000 0.288 437 T C -0.135 174.409 174.700 -0.259 0.000 0.999 437 T CA -0.642 61.113 62.100 -0.575 0.000 0.952 437 T CB -0.161 67.939 68.868 -1.281 0.000 0.938 437 T HN 0.527 nan 8.240 nan 0.000 0.444 438 L N 4.552 125.701 121.223 -0.123 0.000 2.467 438 L HA 0.369 4.709 4.340 0.000 0.000 0.270 438 L C 0.836 177.700 176.870 -0.011 0.000 1.205 438 L CA -0.861 53.987 54.840 0.014 0.000 0.828 438 L CB 0.232 42.307 42.059 0.026 0.000 1.101 438 L HN 0.669 nan 8.230 nan 0.000 0.479 439 F N 2.849 122.714 119.950 -0.141 0.000 2.537 439 F HA -0.151 4.376 4.527 0.000 0.000 0.402 439 F C 0.393 175.927 175.800 -0.444 0.000 1.005 439 F CA 0.688 58.509 58.000 -0.299 0.000 1.203 439 F CB 0.170 39.045 39.000 -0.208 0.000 0.955 439 F HN 0.440 nan 8.300 nan 0.000 0.547 440 Q N 6.641 125.930 119.800 -0.853 0.000 2.456 440 Q HA 0.239 4.579 4.340 0.000 0.000 0.284 440 Q C -1.888 173.680 176.000 -0.721 0.000 1.061 440 Q CA -1.795 53.611 55.803 -0.661 0.000 0.799 440 Q CB 1.435 29.672 28.738 -0.836 0.000 1.445 440 Q HN 0.259 nan 8.270 nan 0.000 0.411 441 P HA -0.253 nan 4.420 nan 0.000 0.219 441 P C 1.167 178.253 177.300 -0.357 0.000 1.161 441 P CA 2.428 65.364 63.100 -0.273 0.000 0.909 441 P CB 0.111 31.729 31.700 -0.138 0.000 0.793 442 S N -1.663 113.833 115.700 -0.339 0.000 2.650 442 S HA -0.063 4.408 4.470 0.000 0.000 0.219 442 S C 0.265 174.699 174.600 -0.276 0.000 0.960 442 S CA -0.164 57.906 58.200 -0.216 0.000 0.925 442 S CB -1.320 61.852 63.200 -0.046 0.000 0.775 442 S HN 0.452 nan 8.310 nan 0.000 0.525 443 H N -1.585 117.023 119.070 -0.769 0.000 2.734 443 H HA 0.415 4.971 4.556 0.000 0.000 0.247 443 H C -3.264 170.834 175.328 -2.051 0.000 1.415 443 H CA -1.506 53.639 56.048 -1.505 0.000 1.514 443 H CB 0.141 29.323 29.762 -0.966 0.000 1.841 443 H HN 0.063 nan 8.280 nan 0.000 0.609 444 P HA 0.073 nan 4.420 nan 0.000 0.225 444 P C -1.165 175.449 177.300 -1.143 0.000 1.768 444 P CA 0.259 62.252 63.100 -1.845 0.000 0.943 444 P CB -1.125 30.044 31.700 -0.886 0.000 1.936 445 W N -0.809 120.140 121.300 -0.586 0.000 3.107 445 W HA 0.543 5.203 4.660 -0.000 0.000 0.331 445 W C -0.788 175.770 176.519 0.065 0.000 1.204 445 W CA -1.348 55.970 57.345 -0.045 0.000 1.184 445 W CB 0.096 29.576 29.460 0.033 0.000 1.421 445 W HN -0.039 nan 8.180 nan 0.000 0.544 446 H N 1.221 120.522 119.070 0.385 0.000 2.511 446 H HA 0.638 5.194 4.556 0.000 0.000 0.346 446 H C -0.068 175.384 175.328 0.206 0.000 1.128 446 H CA 0.477 56.664 56.048 0.232 0.000 1.342 446 H CB 1.344 31.200 29.762 0.157 0.000 1.470 446 H HN 0.574 nan 8.280 nan 0.000 0.546 447 T N 2.107 116.291 114.554 -0.616 0.000 2.893 447 T HA 0.507 4.857 4.350 0.000 0.000 0.291 447 T C -0.679 173.724 174.700 -0.494 0.000 1.028 447 T CA -1.108 60.660 62.100 -0.552 0.000 0.995 447 T CB 1.662 70.128 68.868 -0.671 0.000 1.051 447 T HN 0.664 nan 8.240 nan 0.000 0.470 448 Q N 1.654 121.378 119.800 -0.126 0.000 2.275 448 Q HA 0.511 4.851 4.340 0.000 0.000 0.266 448 Q C -1.330 174.637 176.000 -0.054 0.000 1.002 448 Q CA -0.556 55.126 55.803 -0.202 0.000 0.761 448 Q CB 2.138 30.643 28.738 -0.388 0.000 1.255 448 Q HN 0.706 nan 8.270 nan 0.000 0.446 449 I N 3.926 124.414 120.570 -0.137 0.000 2.460 449 I HA 0.326 4.496 4.170 0.000 0.000 0.277 449 I C -0.236 175.813 176.117 -0.113 0.000 1.057 449 I CA -0.158 60.938 61.300 -0.341 0.000 1.179 449 I CB 0.189 37.825 38.000 -0.607 0.000 1.329 449 I HN 0.669 nan 8.210 nan 0.000 0.478 450 H N 3.248 122.180 119.070 -0.229 0.000 3.110 450 H HA 0.698 5.254 4.556 0.000 0.000 0.277 450 H C -0.972 174.311 175.328 -0.075 0.000 1.571 450 H CA -1.384 54.589 56.048 -0.126 0.000 1.206 450 H CB 1.413 31.124 29.762 -0.084 0.000 1.852 450 H HN 0.054 nan 8.280 nan 0.000 0.629 451 R N 1.089 121.434 120.500 -0.258 0.000 2.435 451 R HA 0.294 4.634 4.340 0.000 0.000 0.308 451 R C -1.627 174.503 176.300 -0.285 0.000 0.975 451 R CA -0.680 55.258 56.100 -0.270 0.000 0.867 451 R CB 1.338 31.597 30.300 -0.069 0.000 1.171 451 R HN 0.728 nan 8.270 nan 0.000 0.470 452 D N 0.811 121.017 120.400 -0.323 0.000 2.163 452 D HA 0.447 5.087 4.640 0.000 0.000 0.248 452 D C 1.032 177.408 176.300 0.126 0.000 1.035 452 D CA -0.183 53.741 54.000 -0.126 0.000 0.872 452 D CB 1.802 42.553 40.800 -0.081 0.000 1.183 452 D HN 0.488 nan 8.370 nan 0.000 0.445 453 A N 3.477 126.405 122.820 0.180 0.000 1.842 453 A HA -0.128 4.192 4.320 0.000 0.000 0.217 453 A C 1.094 178.924 177.584 0.410 0.000 1.206 453 A CA 0.890 53.121 52.037 0.324 0.000 0.630 453 A CB -0.963 18.240 19.000 0.339 0.000 0.839 453 A HN 0.657 nan 8.150 nan 0.000 0.447 454 F N 0.586 120.629 119.950 0.155 0.000 2.668 454 F HA 0.168 4.695 4.527 0.000 0.000 0.338 454 F C 1.108 176.937 175.800 0.047 0.000 1.194 454 F CA 1.440 59.480 58.000 0.067 0.000 1.385 454 F CB 0.199 39.194 39.000 -0.007 0.000 1.088 454 F HN 0.371 nan 8.300 nan 0.000 0.624 455 S N 2.011 117.364 115.700 -0.578 0.000 3.791 455 S HA -0.257 4.213 4.470 0.000 0.000 0.393 455 S C -1.059 173.427 174.600 -0.190 0.000 0.936 455 S CA 0.312 58.287 58.200 -0.375 0.000 1.234 455 S CB -1.962 61.074 63.200 -0.272 0.000 0.891 455 S HN 0.642 nan 8.310 nan 0.000 0.519 456 Y N 0.485 120.663 120.300 -0.203 0.000 2.328 456 Y HA 0.552 5.102 4.550 0.000 0.000 0.333 456 Y C 0.732 176.580 175.900 -0.086 0.000 0.958 456 Y CA -0.053 57.992 58.100 -0.090 0.000 1.167 456 Y CB 1.720 40.145 38.460 -0.058 0.000 1.151 456 Y HN 0.413 nan 8.280 nan 0.000 0.470 457 G N 1.473 110.308 108.800 0.058 0.000 2.416 457 G HA2 0.530 4.490 3.960 0.000 0.000 0.324 457 G HA3 0.530 4.490 3.960 0.000 0.000 0.324 457 G C -0.383 174.555 174.900 0.064 0.000 1.194 457 G CA -0.719 44.402 45.100 0.035 0.000 0.922 457 G HN 0.778 nan 8.290 nan 0.000 0.467 458 A N 1.974 124.823 122.820 0.049 0.000 2.640 458 A HA 0.464 4.784 4.320 0.000 0.000 0.282 458 A C 1.391 178.994 177.584 0.031 0.000 1.357 458 A CA 0.456 52.523 52.037 0.049 0.000 0.946 458 A CB -0.306 18.717 19.000 0.039 0.000 1.065 458 A HN 1.301 nan 8.150 nan 0.000 0.541 459 V N -4.864 115.065 119.914 0.026 0.000 3.029 459 V HA 0.153 4.273 4.120 0.000 0.000 0.230 459 V C 0.913 177.018 176.094 0.018 0.000 1.254 459 V CA 0.153 62.464 62.300 0.018 0.000 1.276 459 V CB -0.475 31.355 31.823 0.011 0.000 1.080 459 V HN 0.223 nan 8.190 nan 0.000 0.495 460 Q N 1.916 121.726 119.800 0.017 0.000 2.244 460 Q HA 0.225 4.565 4.340 0.000 0.000 0.239 460 Q C 0.605 176.617 176.000 0.020 0.000 0.890 460 Q CA 0.166 55.978 55.803 0.015 0.000 0.964 460 Q CB 0.232 28.975 28.738 0.009 0.000 1.076 460 Q HN 0.962 nan 8.270 nan 0.000 0.447 461 Q N -1.764 118.055 119.800 0.031 0.000 2.244 461 Q HA 0.216 4.556 4.340 0.000 0.000 0.239 461 Q C 1.241 177.262 176.000 0.035 0.000 0.890 461 Q CA 0.033 55.862 55.803 0.042 0.000 0.964 461 Q CB 0.423 29.202 28.738 0.067 0.000 1.076 461 Q HN -0.089 nan 8.270 nan 0.000 0.447 462 S N 0.172 115.888 115.700 0.026 0.000 2.481 462 S HA 0.073 4.543 4.470 0.000 0.000 0.231 462 S C 0.664 175.279 174.600 0.025 0.000 0.996 462 S CA 0.105 58.319 58.200 0.023 0.000 0.942 462 S CB 0.187 63.397 63.200 0.017 0.000 0.768 462 S HN 0.400 nan 8.310 nan 0.000 0.520 463 I N 2.869 123.454 120.570 0.026 0.000 2.342 463 I HA 0.215 4.385 4.170 0.000 0.000 0.291 463 I C 0.419 176.558 176.117 0.037 0.000 1.010 463 I CA -0.982 60.335 61.300 0.027 0.000 1.308 463 I CB 0.529 38.541 38.000 0.021 0.000 1.400 463 I HN 0.120 nan 8.210 nan 0.000 0.488 464 D N 4.017 124.442 120.400 0.042 0.000 2.531 464 D HA -0.121 4.519 4.640 0.000 0.000 0.239 464 D C 1.176 177.510 176.300 0.055 0.000 1.144 464 D CA 0.432 54.465 54.000 0.055 0.000 0.869 464 D CB 1.031 41.870 40.800 0.065 0.000 1.160 464 D HN 0.615 nan 8.370 nan 0.000 0.484 465 S N 3.931 119.671 115.700 0.068 0.000 2.442 465 S HA -0.140 4.330 4.470 0.000 0.000 0.236 465 S C 1.725 176.363 174.600 0.063 0.000 1.007 465 S CA 0.902 59.145 58.200 0.072 0.000 0.965 465 S CB 0.082 63.346 63.200 0.107 0.000 0.773 465 S HN 0.498 nan 8.310 nan 0.000 0.504 466 R N 0.016 120.553 120.500 0.062 0.000 2.235 466 R HA 0.166 4.506 4.340 0.000 0.000 0.213 466 R C 1.671 177.989 176.300 0.031 0.000 1.059 466 R CA 0.947 57.072 56.100 0.043 0.000 0.997 466 R CB -0.177 30.140 30.300 0.029 0.000 0.884 466 R HN 0.441 nan 8.270 nan 0.000 0.462 467 L N 0.176 121.420 121.223 0.035 0.000 2.558 467 L HA 0.170 4.511 4.340 0.000 0.000 0.225 467 L C 0.525 177.420 176.870 0.042 0.000 1.128 467 L CA 0.125 54.985 54.840 0.035 0.000 0.868 467 L CB 0.171 42.248 42.059 0.031 0.000 1.006 467 L HN 0.035 nan 8.230 nan 0.000 0.454 468 I N 0.332 120.923 120.570 0.035 0.000 2.353 468 I HA 0.262 4.432 4.170 0.000 0.000 0.293 468 I C -0.629 175.505 176.117 0.028 0.000 0.992 468 I CA -0.420 60.899 61.300 0.030 0.000 1.268 468 I CB 1.858 39.857 38.000 -0.001 0.000 1.387 468 I HN -0.285 nan 8.210 nan 0.000 0.478 469 V N 5.183 125.134 119.914 0.061 0.000 2.588 469 V HA 0.296 4.416 4.120 0.000 0.000 0.304 469 V C -0.735 175.374 176.094 0.025 0.000 1.042 469 V CA -0.855 61.453 62.300 0.012 0.000 0.877 469 V CB 2.120 33.954 31.823 0.020 0.000 0.996 469 V HN 0.588 nan 8.190 nan 0.000 0.425 470 D N 2.952 123.310 120.400 -0.070 0.000 2.255 470 D HA 0.376 5.016 4.640 0.000 0.000 0.249 470 D C -0.908 175.386 176.300 -0.010 0.000 1.078 470 D CA 0.128 54.146 54.000 0.030 0.000 0.896 470 D CB 1.166 41.976 40.800 0.016 0.000 1.194 470 D HN 0.428 nan 8.370 nan 0.000 0.429 471 W N 1.484 122.827 121.300 0.071 0.000 2.471 471 W HA 0.440 5.100 4.660 0.000 0.000 0.318 471 W C 0.340 176.986 176.519 0.212 0.000 1.034 471 W CA -0.837 56.597 57.345 0.148 0.000 1.224 471 W CB 1.215 30.660 29.460 -0.025 0.000 1.335 471 W HN -0.071 nan 8.180 nan 0.000 0.452 472 R N 2.668 123.478 120.500 0.516 0.000 2.513 472 R HA 0.561 4.901 4.340 0.000 0.000 0.301 472 R C -1.553 175.020 176.300 0.456 0.000 0.968 472 R CA -0.904 55.398 56.100 0.338 0.000 0.872 472 R CB 1.699 32.140 30.300 0.235 0.000 1.177 472 R HN 0.183 nan 8.270 nan 0.000 0.444 473 F N 3.211 123.047 119.950 -0.189 0.000 2.482 473 F HA 0.486 5.013 4.527 0.000 0.000 0.331 473 F C -0.497 175.188 175.800 -0.192 0.000 1.115 473 F CA -1.327 56.633 58.000 -0.068 0.000 0.955 473 F CB 1.111 40.023 39.000 -0.145 0.000 1.136 473 F HN 0.306 nan 8.300 nan 0.000 0.452 474 F N 1.460 121.599 119.950 0.314 0.000 2.449 474 F HA 0.682 5.209 4.527 0.000 0.000 0.342 474 F C 0.624 176.623 175.800 0.332 0.000 1.127 474 F CA -1.185 56.997 58.000 0.305 0.000 0.975 474 F CB 1.507 40.729 39.000 0.369 0.000 1.146 474 F HN 0.514 nan 8.300 nan 0.000 0.444 475 G N 2.164 111.203 108.800 0.398 0.000 2.434 475 G HA2 0.664 4.624 3.960 0.000 0.000 0.330 475 G HA3 0.664 4.624 3.960 0.000 0.000 0.330 475 G C -0.948 174.134 174.900 0.304 0.000 1.155 475 G CA -1.114 44.202 45.100 0.361 0.000 0.917 475 G HN 0.704 nan 8.290 nan 0.000 0.493 476 R N -0.693 119.981 120.500 0.290 0.000 2.486 476 R HA 0.672 5.012 4.340 0.000 0.000 0.286 476 R C -0.970 175.432 176.300 0.169 0.000 0.999 476 R CA -0.569 55.634 56.100 0.171 0.000 0.993 476 R CB 1.257 31.670 30.300 0.188 0.000 1.084 476 R HN 0.263 nan 8.270 nan 0.000 0.487 477 T N 2.612 117.238 114.554 0.121 0.000 2.786 477 T HA 0.107 4.457 4.350 0.000 0.000 0.283 477 T C -0.686 174.099 174.700 0.142 0.000 0.992 477 T CA -0.829 61.391 62.100 0.200 0.000 0.954 477 T CB 1.060 70.113 68.868 0.309 0.000 0.934 477 T HN 0.685 nan 8.240 nan 0.000 0.440 478 E N 3.832 124.116 120.200 0.140 0.000 2.417 478 E HA 0.122 4.472 4.350 0.000 0.000 0.261 478 E C -2.581 174.095 176.600 0.126 0.000 1.000 478 E CA -1.708 54.763 56.400 0.119 0.000 0.919 478 E CB -0.030 29.731 29.700 0.102 0.000 0.955 478 E HN 0.189 nan 8.360 nan 0.000 0.455 479 P HA 0.111 nan 4.420 nan 0.000 0.271 479 P C -0.808 176.628 177.300 0.227 0.000 1.233 479 P CA 0.045 63.275 63.100 0.217 0.000 0.764 479 P CB 0.533 32.389 31.700 0.261 0.000 0.825 480 K N 2.603 123.063 120.400 0.100 0.000 2.378 480 K HA 0.156 4.476 4.320 0.000 0.000 0.252 480 K C 0.993 177.368 176.600 -0.374 0.000 0.931 480 K CA -0.669 55.581 56.287 -0.063 0.000 0.794 480 K CB 2.179 34.624 32.500 -0.092 0.000 1.181 480 K HN 0.436 nan 8.250 nan 0.000 0.425 481 E N 2.299 122.117 120.200 -0.637 0.000 2.118 481 E HA -0.223 4.127 4.350 0.000 0.000 0.195 481 E C 0.974 177.331 176.600 -0.406 0.000 0.992 481 E CA 1.606 57.465 56.400 -0.902 0.000 0.804 481 E CB 0.435 29.795 29.700 -0.567 0.000 0.741 481 E HN 0.552 nan 8.360 nan 0.000 0.458 482 E N 0.309 120.362 120.200 -0.246 0.000 2.274 482 E HA -0.118 4.232 4.350 0.000 0.000 0.194 482 E C 0.043 176.575 176.600 -0.113 0.000 0.996 482 E CA 0.320 56.630 56.400 -0.150 0.000 0.840 482 E CB -0.323 29.302 29.700 -0.124 0.000 0.772 482 E HN 0.097 nan 8.360 nan 0.000 0.491 483 N N 2.167 120.785 118.700 -0.136 0.000 2.401 483 N HA 0.151 4.891 4.740 0.000 0.000 0.255 483 N C -0.767 174.792 175.510 0.081 0.000 1.110 483 N CA 0.225 53.243 53.050 -0.053 0.000 0.949 483 N CB 0.945 39.360 38.487 -0.120 0.000 1.110 483 N HN 0.132 nan 8.380 nan 0.000 0.490 484 K N 1.254 121.754 120.400 0.168 0.000 2.426 484 K HA 0.430 4.750 4.320 0.000 0.000 0.251 484 K C -0.987 175.746 176.600 0.222 0.000 0.941 484 K CA -0.958 55.444 56.287 0.192 0.000 0.808 484 K CB 2.426 35.039 32.500 0.190 0.000 1.265 484 K HN 0.179 nan 8.250 nan 0.000 0.432 485 L N 4.190 125.481 121.223 0.114 0.000 2.265 485 L HA 0.507 4.847 4.340 0.000 0.000 0.289 485 L C -1.020 175.711 176.870 -0.230 0.000 1.033 485 L CA -0.076 54.649 54.840 -0.191 0.000 0.814 485 L CB 0.318 42.263 42.059 -0.191 0.000 1.203 485 L HN 0.671 nan 8.230 nan 0.000 0.423 486 W N 3.688 124.643 121.300 -0.574 0.000 2.958 486 W HA 0.648 5.308 4.660 0.000 0.000 0.339 486 W C -2.026 173.897 176.519 -0.995 0.000 1.174 486 W CA -1.270 55.733 57.345 -0.569 0.000 1.064 486 W CB 0.781 30.111 29.460 -0.217 0.000 1.471 486 W HN 0.307 nan 8.180 nan 0.000 0.599 487 F N 1.427 121.547 119.950 0.282 0.000 2.536 487 F HA 0.300 4.827 4.527 0.000 0.000 0.322 487 F C 0.740 176.681 175.800 0.236 0.000 1.144 487 F CA -0.965 57.097 58.000 0.104 0.000 0.924 487 F CB 1.832 40.872 39.000 0.066 0.000 1.181 487 F HN 0.268 nan 8.300 nan 0.000 0.438 488 S N 1.241 117.103 115.700 0.269 0.000 2.558 488 S HA 0.027 4.497 4.470 0.000 0.000 0.288 488 S C 0.837 175.585 174.600 0.247 0.000 1.318 488 S CA -0.307 58.068 58.200 0.292 0.000 1.056 488 S CB 0.326 63.613 63.200 0.145 0.000 0.853 488 S HN 0.686 nan 8.310 nan 0.000 0.505 489 D N 2.989 123.520 120.400 0.219 0.000 2.328 489 D HA 0.170 4.810 4.640 0.000 0.000 0.221 489 D C 0.948 177.314 176.300 0.109 0.000 1.072 489 D CA 0.395 54.481 54.000 0.144 0.000 0.850 489 D CB 0.241 41.109 40.800 0.114 0.000 0.922 489 D HN 0.381 nan 8.370 nan 0.000 0.516 490 K N -0.501 119.969 120.400 0.116 0.000 2.509 490 K HA 0.236 4.556 4.320 0.000 0.000 0.205 490 K C 0.260 176.908 176.600 0.080 0.000 1.336 490 K CA -0.118 56.222 56.287 0.089 0.000 0.912 490 K CB 0.802 33.355 32.500 0.089 0.000 1.568 490 K HN 0.056 nan 8.250 nan 0.000 0.475 491 I N 2.724 123.345 120.570 0.085 0.000 2.474 491 I HA 0.009 4.179 4.170 0.000 0.000 0.287 491 I C 0.522 176.682 176.117 0.071 0.000 1.048 491 I CA 0.150 61.491 61.300 0.068 0.000 1.383 491 I CB 1.370 39.402 38.000 0.054 0.000 1.412 491 I HN 0.203 nan 8.210 nan 0.000 0.531 492 T N 0.716 115.308 114.554 0.063 0.000 2.924 492 T HA 0.656 5.006 4.350 0.000 0.000 0.291 492 T C -0.571 174.170 174.700 0.069 0.000 1.045 492 T CA -1.032 61.110 62.100 0.070 0.000 1.015 492 T CB 1.798 70.703 68.868 0.061 0.000 1.103 492 T HN 0.553 nan 8.240 nan 0.000 0.496 493 D N 0.592 121.048 120.400 0.094 0.000 2.511 493 D HA 0.501 5.141 4.640 0.000 0.000 0.276 493 D C 1.511 177.855 176.300 0.073 0.000 1.220 493 D CA -0.561 53.502 54.000 0.104 0.000 1.077 493 D CB 0.027 40.929 40.800 0.170 0.000 1.126 493 D HN 0.644 nan 8.370 nan 0.000 0.583 494 A N -1.443 121.404 122.820 0.044 0.000 2.172 494 A HA -0.079 4.241 4.320 0.000 0.000 0.216 494 A C 0.864 178.266 177.584 -0.304 0.000 1.154 494 A CA 0.765 52.723 52.037 -0.130 0.000 0.701 494 A CB -0.956 17.924 19.000 -0.199 0.000 0.789 494 A HN 0.543 nan 8.150 nan 0.000 0.465 495 Y N -0.086 120.237 120.300 0.038 0.000 2.658 495 Y HA 0.245 4.795 4.550 0.000 0.000 0.276 495 Y C 0.340 176.266 175.900 0.044 0.000 1.167 495 Y CA -0.456 57.669 58.100 0.041 0.000 1.230 495 Y CB -0.600 37.869 38.460 0.015 0.000 1.144 495 Y HN 0.442 nan 8.280 nan 0.000 0.529 499 Q N 4.015 123.918 119.800 0.171 0.000 2.297 499 Q HA 0.412 4.752 4.340 0.000 0.000 0.267 499 Q C -2.318 173.738 176.000 0.093 0.000 1.006 499 Q CA -1.235 54.644 55.803 0.128 0.000 0.896 499 Q CB 0.647 29.407 28.738 0.038 0.000 1.186 499 Q HN 0.105 nan 8.270 nan 0.000 0.392 500 P HA 0.113 nan 4.420 nan 0.000 0.271 500 P C -1.221 175.667 177.300 -0.687 0.000 1.216 500 P CA -0.049 62.827 63.100 -0.373 0.000 0.771 500 P CB 1.084 32.652 31.700 -0.220 0.000 0.864 501 T N 3.507 117.392 114.554 -1.114 0.000 2.881 501 T HA 0.500 4.850 4.350 0.000 0.000 0.290 501 T C -0.586 173.442 174.700 -1.120 0.000 1.000 501 T CA -0.214 61.212 62.100 -1.124 0.000 0.978 501 T CB 0.456 68.323 68.868 -1.668 0.000 0.997 501 T HN 0.053 nan 8.240 nan 0.000 0.443 502 F N 2.035 121.720 119.950 -0.441 0.000 2.399 502 F HA 0.450 4.977 4.527 -0.000 0.000 0.334 502 F C 0.734 176.494 175.800 -0.067 0.000 1.097 502 F CA -0.646 57.219 58.000 -0.226 0.000 1.076 502 F CB 1.113 40.030 39.000 -0.138 0.000 1.162 502 F HN 0.401 nan 8.300 nan 0.000 0.495 503 D N 4.393 124.966 120.400 0.287 0.000 2.438 503 D HA 0.204 4.844 4.640 0.000 0.000 0.257 503 D C -1.731 174.698 176.300 0.215 0.000 1.148 503 D CA -0.111 54.045 54.000 0.260 0.000 0.902 503 D CB 0.357 41.338 40.800 0.301 0.000 1.062 503 D HN 0.333 nan 8.370 nan 0.000 0.518 504 F N 3.035 122.989 119.950 0.006 0.000 2.574 504 F HA 0.600 5.127 4.527 0.000 0.000 0.313 504 F C -1.266 174.434 175.800 -0.166 0.000 1.130 504 F CA -0.775 57.165 58.000 -0.101 0.000 0.936 504 F CB 1.476 40.366 39.000 -0.184 0.000 1.219 504 F HN 0.048 nan 8.300 nan 0.000 0.445 505 R N 4.493 124.448 120.500 -0.907 0.000 2.621 505 R HA 0.470 4.810 4.340 0.000 0.000 0.284 505 R C -1.728 173.997 176.300 -0.958 0.000 0.998 505 R CA -0.970 54.755 56.100 -0.626 0.000 0.895 505 R CB 1.070 31.197 30.300 -0.289 0.000 1.195 505 R HN 0.586 nan 8.270 nan 0.000 0.450 506 F N 5.039 124.808 119.950 -0.303 0.000 2.571 506 F HA 0.168 4.695 4.527 0.000 0.000 0.390 506 F C -1.278 174.419 175.800 -0.171 0.000 1.043 506 F CA -0.729 57.177 58.000 -0.156 0.000 1.164 506 F CB 0.264 39.280 39.000 0.026 0.000 1.049 506 F HN 0.313 nan 8.300 nan 0.000 0.552 507 P HA 0.041 nan 4.420 nan 0.000 0.265 507 P C -0.531 176.787 177.300 0.031 0.000 1.187 507 P CA -0.103 62.983 63.100 -0.024 0.000 0.766 507 P CB 0.559 32.255 31.700 -0.007 0.000 0.820 508 A N 2.772 125.595 122.820 0.004 0.000 2.386 508 A HA 0.564 4.884 4.320 0.000 0.000 0.246 508 A C 1.178 178.777 177.584 0.026 0.000 1.089 508 A CA 0.803 52.848 52.037 0.013 0.000 0.790 508 A CB -0.846 18.153 19.000 -0.001 0.000 1.042 508 A HN 0.818 nan 8.150 nan 0.000 0.497 509 G N 0.210 109.027 108.800 0.028 0.000 2.662 509 G HA2 -0.250 3.710 3.960 0.000 0.000 0.236 509 G HA3 -0.250 3.710 3.960 0.000 0.000 0.236 509 G C 1.134 176.065 174.900 0.051 0.000 1.212 509 G CA 0.696 45.817 45.100 0.036 0.000 0.968 509 G HN 0.937 nan 8.290 nan 0.000 0.576 510 R N 0.010 120.548 120.500 0.062 0.000 2.070 510 R HA -0.050 4.291 4.340 0.000 0.000 0.233 510 R C 2.874 179.233 176.300 0.098 0.000 1.137 510 R CA 2.642 58.790 56.100 0.080 0.000 0.945 510 R CB -0.941 29.409 30.300 0.083 0.000 0.845 510 R HN 0.612 nan 8.270 nan 0.000 0.430 511 T N 0.359 114.976 114.554 0.105 0.000 2.665 511 T HA -0.157 4.193 4.350 0.000 0.000 0.268 511 T C 1.943 176.698 174.700 0.092 0.000 1.035 511 T CA 1.983 64.160 62.100 0.128 0.000 1.151 511 T CB -0.246 68.720 68.868 0.163 0.000 0.862 511 T HN 0.290 nan 8.240 nan 0.000 0.438 512 S N 0.499 116.239 115.700 0.066 0.000 2.368 512 S HA -0.042 4.428 4.470 0.000 0.000 0.224 512 S C 2.027 176.642 174.600 0.023 0.000 1.029 512 S CA 0.822 59.034 58.200 0.020 0.000 0.988 512 S CB -0.181 63.025 63.200 0.010 0.000 0.838 512 S HN 0.391 nan 8.310 nan 0.000 0.462 513 K N 1.433 121.863 120.400 0.049 0.000 2.001 513 K HA -0.106 4.214 4.320 0.000 0.000 0.208 513 K C 1.900 178.554 176.600 0.091 0.000 1.048 513 K CA 1.373 57.696 56.287 0.060 0.000 0.932 513 K CB -0.273 32.266 32.500 0.065 0.000 0.715 513 K HN 0.385 nan 8.250 nan 0.000 0.437 514 E N 0.090 120.369 120.200 0.131 0.000 2.085 514 E HA -0.203 4.147 4.350 0.000 0.000 0.194 514 E C 1.955 178.639 176.600 0.140 0.000 0.994 514 E CA 1.202 57.730 56.400 0.212 0.000 0.801 514 E CB -0.143 29.712 29.700 0.258 0.000 0.743 514 E HN 0.423 nan 8.360 nan 0.000 0.453 515 A N 1.234 124.113 122.820 0.098 0.000 1.908 515 A HA -0.250 4.070 4.320 0.000 0.000 0.218 515 A C 2.065 179.727 177.584 0.129 0.000 1.181 515 A CA 1.796 53.892 52.037 0.097 0.000 0.627 515 A CB -0.345 18.682 19.000 0.046 0.000 0.818 515 A HN 0.131 nan 8.150 nan 0.000 0.445 516 E N 0.812 121.066 120.200 0.090 0.000 2.072 516 E HA -0.051 4.299 4.350 0.000 0.000 0.190 516 E C 0.331 176.906 176.600 -0.041 0.000 0.982 516 E CA 0.540 56.987 56.400 0.078 0.000 0.803 516 E CB -0.261 29.463 29.700 0.040 0.000 0.755 516 E HN 0.527 nan 8.360 nan 0.000 0.453 527 A N 2.838 125.422 122.820 -0.394 0.000 2.070 527 A HA 0.037 4.357 4.320 0.000 0.000 0.220 527 A C 1.921 179.399 177.584 -0.175 0.000 1.159 527 A CA 1.486 53.339 52.037 -0.307 0.000 0.656 527 A CB -0.680 18.157 19.000 -0.271 0.000 0.800 527 A HN 0.647 nan 8.150 nan 0.000 0.453 528 K N -0.679 119.659 120.400 -0.103 0.000 2.439 528 K HA 0.042 4.362 4.320 0.000 0.000 0.197 528 K C 0.980 177.582 176.600 0.003 0.000 1.041 528 K CA 0.622 56.882 56.287 -0.044 0.000 0.970 528 K CB -0.015 32.475 32.500 -0.016 0.000 0.773 528 K HN 0.419 nan 8.250 nan 0.000 0.479 529 I N -0.122 120.471 120.570 0.039 0.000 3.300 529 I HA 0.146 4.316 4.170 0.000 0.000 0.279 529 I C 1.143 177.288 176.117 0.046 0.000 1.172 529 I CA 0.590 61.960 61.300 0.116 0.000 1.431 529 I CB -0.030 38.189 38.000 0.365 0.000 1.240 529 I HN 0.130 nan 8.210 nan 0.000 0.453 530 G N -0.642 108.137 108.800 -0.034 0.000 2.441 530 G HA2 0.477 4.437 3.960 0.000 0.000 0.294 530 G HA3 0.477 4.437 3.960 0.000 0.000 0.294 530 G C -0.729 174.036 174.900 -0.224 0.000 1.393 530 G CA -0.126 44.923 45.100 -0.085 0.000 0.796 530 G HN 0.278 nan 8.290 nan 0.000 0.494 531 G N -1.090 107.567 108.800 -0.238 0.000 2.537 531 G HA2 0.548 4.508 3.960 0.000 0.000 0.273 531 G HA3 0.548 4.508 3.960 0.000 0.000 0.273 531 G C -0.261 174.454 174.900 -0.308 0.000 1.189 531 G CA -0.512 44.347 45.100 -0.402 0.000 0.881 531 G HN 0.456 nan 8.290 nan 0.000 0.535 532 F N -0.432 119.426 119.950 -0.153 0.000 2.563 532 F HA 0.184 4.711 4.527 0.000 0.000 0.363 532 F C 0.735 176.470 175.800 -0.109 0.000 1.123 532 F CA -0.882 57.021 58.000 -0.162 0.000 1.307 532 F CB 0.455 39.344 39.000 -0.184 0.000 1.115 532 F HN 0.167 nan 8.300 nan 0.000 0.592 533 L N 6.061 127.342 121.223 0.096 0.000 2.410 533 L HA 0.341 4.681 4.340 0.000 0.000 0.273 533 L C -2.306 174.581 176.870 0.029 0.000 1.144 533 L CA -1.792 53.070 54.840 0.037 0.000 0.863 533 L CB -0.074 41.990 42.059 0.009 0.000 1.140 533 L HN 0.308 nan 8.230 nan 0.000 0.463 534 P HA 0.172 nan 4.420 nan 0.000 0.262 534 P C 0.630 177.929 177.300 -0.001 0.000 1.182 534 P CA 1.107 64.214 63.100 0.011 0.000 0.761 534 P CB 0.623 32.329 31.700 0.010 0.000 0.795 535 G N 2.222 111.017 108.800 -0.008 0.000 2.268 535 G HA2 -0.241 3.719 3.960 0.000 0.000 0.240 535 G HA3 -0.241 3.719 3.960 0.000 0.000 0.240 535 G C 0.546 175.444 174.900 -0.004 0.000 1.010 535 G CA 0.219 45.316 45.100 -0.005 0.000 0.618 535 G HN 0.522 nan 8.290 nan 0.000 0.516 536 S N 1.246 116.925 115.700 -0.034 0.000 2.558 536 S HA 0.552 5.022 4.470 0.000 0.000 0.238 536 S C 0.537 175.000 174.600 -0.229 0.000 1.183 536 S CA -0.515 57.637 58.200 -0.081 0.000 1.185 536 S CB 0.198 63.335 63.200 -0.105 0.000 1.003 536 S HN 0.494 nan 8.310 nan 0.000 0.478 537 L N 1.609 122.703 121.223 -0.216 0.000 2.472 537 L HA 0.322 4.662 4.340 0.000 0.000 0.260 537 L C -2.302 174.261 176.870 -0.511 0.000 1.209 537 L CA -2.243 52.356 54.840 -0.403 0.000 0.817 537 L CB -0.372 41.521 42.059 -0.276 0.000 1.106 537 L HN 0.014 nan 8.230 nan 0.000 0.479 538 P HA -0.012 nan 4.420 nan 0.000 0.261 538 P C -1.250 175.824 177.300 -0.376 0.000 1.183 538 P CA 0.285 62.995 63.100 -0.650 0.000 0.761 538 P CB 0.333 31.564 31.700 -0.781 0.000 0.785 539 Q N 1.899 121.526 119.800 -0.289 0.000 2.522 539 Q HA 0.482 4.822 4.340 0.000 0.000 0.285 539 Q C -1.200 174.688 176.000 -0.186 0.000 0.982 539 Q CA -0.856 54.866 55.803 -0.135 0.000 0.805 539 Q CB 0.797 29.522 28.738 -0.022 0.000 1.457 539 Q HN 0.106 nan 8.270 nan 0.000 0.394 543 P HA 0.168 nan 4.420 nan 0.000 0.258 543 P C 0.723 177.930 177.300 -0.156 0.000 1.187 543 P CA 1.298 64.419 63.100 0.035 0.000 0.767 543 P CB 0.409 32.092 31.700 -0.029 0.000 0.770 544 G N 2.578 111.287 108.800 -0.152 0.000 2.195 544 G HA2 -0.285 3.675 3.960 0.000 0.000 0.224 544 G HA3 -0.285 3.675 3.960 0.000 0.000 0.224 544 G C 0.675 175.496 174.900 -0.132 0.000 0.990 544 G CA 0.055 45.021 45.100 -0.223 0.000 0.639 544 G HN 0.509 nan 8.290 nan 0.000 0.514 545 L N 1.112 122.278 121.223 -0.095 0.000 2.201 545 L HA 0.238 4.578 4.340 0.000 0.000 0.212 545 L C 2.790 179.568 176.870 -0.153 0.000 1.105 545 L CA 2.359 57.134 54.840 -0.108 0.000 0.775 545 L CB -0.421 41.595 42.059 -0.072 0.000 0.913 545 L HN 0.403 nan 8.230 nan 0.000 0.440 546 V N -0.150 119.695 119.914 -0.115 0.000 2.594 546 V HA -0.179 3.941 4.120 0.000 0.000 0.253 546 V C 1.517 177.463 176.094 -0.247 0.000 1.069 546 V CA 1.186 63.400 62.300 -0.144 0.000 1.082 546 V CB -0.270 31.535 31.823 -0.031 0.000 0.680 546 V HN 0.499 nan 8.190 nan 0.000 0.469 547 L N 0.090 121.240 121.223 -0.121 0.000 3.597 547 L HA -0.246 4.094 4.340 0.000 0.000 0.440 547 L C 0.253 177.202 176.870 0.131 0.000 1.277 547 L CA 0.843 55.671 54.840 -0.019 0.000 0.852 547 L CB -2.358 39.705 42.059 0.006 0.000 1.708 547 L HN 0.563 nan 8.230 nan 0.000 0.885 548 H N -0.875 118.278 119.070 0.140 0.000 2.492 548 H HA 0.290 4.846 4.556 0.000 0.000 0.264 548 H C 0.466 175.921 175.328 0.212 0.000 1.150 548 H CA -1.158 55.019 56.048 0.216 0.000 0.962 548 H CB 0.689 30.628 29.762 0.295 0.000 1.766 548 H HN 0.179 nan 8.280 nan 0.000 0.589 549 L N 2.041 123.399 121.223 0.227 0.000 2.640 549 L HA 0.090 4.430 4.340 0.000 0.000 0.280 549 L C 0.734 177.744 176.870 0.233 0.000 1.229 549 L CA 0.966 55.904 54.840 0.162 0.000 0.919 549 L CB 0.210 42.334 42.059 0.109 0.000 1.168 549 L HN 0.369 nan 8.230 nan 0.000 0.496 550 G N 1.750 110.699 108.800 0.248 0.000 2.798 550 G HA2 0.543 4.503 3.960 0.000 0.000 0.286 550 G HA3 0.543 4.503 3.960 0.000 0.000 0.286 550 G C 0.362 175.368 174.900 0.177 0.000 1.389 550 G CA -0.230 45.021 45.100 0.252 0.000 0.894 550 G HN 1.244 nan 8.290 nan 0.000 0.488 551 G N -1.329 107.539 108.800 0.114 0.000 2.184 551 G HA2 -0.261 3.699 3.960 0.000 0.000 0.264 551 G HA3 -0.261 3.699 3.960 0.000 0.000 0.264 551 G C 1.525 176.495 174.900 0.117 0.000 0.975 551 G CA 1.676 46.852 45.100 0.126 0.000 0.642 551 G HN 1.957 nan 8.290 nan 0.000 0.536 552 T N -1.650 112.946 114.554 0.071 0.000 2.881 552 T HA 0.016 4.366 4.350 0.000 0.000 0.270 552 T C 1.143 175.948 174.700 0.176 0.000 1.068 552 T CA 2.029 64.208 62.100 0.132 0.000 1.131 552 T CB -0.368 68.595 68.868 0.157 0.000 0.871 552 T HN 1.570 nan 8.240 nan 0.000 0.479 553 H N -0.069 119.071 119.070 0.116 0.000 2.597 553 H HA 0.521 5.077 4.556 0.000 0.000 0.225 553 H C 0.149 175.517 175.328 0.067 0.000 1.422 553 H CA -1.324 54.769 56.048 0.076 0.000 1.335 553 H CB -0.024 29.749 29.762 0.019 0.000 1.783 553 H HN 0.388 nan 8.280 nan 0.000 0.513 557 F N 0.055 120.102 119.950 0.161 0.000 2.270 557 F HA 0.282 4.809 4.527 0.000 0.000 0.295 557 F C 1.118 177.059 175.800 0.235 0.000 1.087 557 F CA 1.466 59.566 58.000 0.167 0.000 1.365 557 F CB 0.539 39.596 39.000 0.096 0.000 1.056 557 F HN 0.423 nan 8.300 nan 0.000 0.506 558 D N -1.077 119.504 120.400 0.301 0.000 2.896 558 D HA 0.116 4.756 4.640 0.000 0.000 0.241 558 D C 0.571 176.722 176.300 -0.247 0.000 1.188 558 D CA -0.289 53.735 54.000 0.040 0.000 0.879 558 D CB 1.303 42.138 40.800 0.059 0.000 1.553 558 D HN 0.048 nan 8.370 nan 0.000 0.515 559 E N 2.063 121.774 120.200 -0.816 0.000 2.085 559 E HA -0.238 4.112 4.350 0.000 0.000 0.194 559 E C 0.876 177.289 176.600 -0.311 0.000 0.994 559 E CA 1.339 57.222 56.400 -0.862 0.000 0.801 559 E CB 0.336 29.364 29.700 -1.120 0.000 0.743 559 E HN 0.286 nan 8.360 nan 0.000 0.453 560 K N 0.150 120.422 120.400 -0.215 0.000 2.128 560 K HA 0.011 4.331 4.320 0.000 0.000 0.202 560 K C 2.058 178.624 176.600 -0.056 0.000 1.050 560 K CA 0.842 57.069 56.287 -0.099 0.000 0.966 560 K CB 0.139 32.596 32.500 -0.070 0.000 0.759 560 K HN 0.023 nan 8.250 nan 0.000 0.454 561 E N 0.833 121.005 120.200 -0.047 0.000 2.152 561 E HA -0.109 4.241 4.350 0.000 0.000 0.192 561 E C 0.343 176.940 176.600 -0.004 0.000 0.983 561 E CA 0.996 57.389 56.400 -0.011 0.000 0.818 561 E CB 0.094 29.796 29.700 0.004 0.000 0.758 561 E HN 0.315 nan 8.360 nan 0.000 0.467 562 D N 0.326 120.721 120.400 -0.008 0.000 2.368 562 D HA 0.040 4.680 4.640 0.000 0.000 0.218 562 D C -0.536 175.711 176.300 -0.090 0.000 1.112 562 D CA -0.146 53.851 54.000 -0.005 0.000 0.834 562 D CB -0.158 40.690 40.800 0.079 0.000 0.953 562 D HN 0.064 nan 8.370 nan 0.000 0.505 563 N N 0.679 119.315 118.700 -0.107 0.000 2.669 563 N HA -0.203 4.537 4.740 0.000 0.000 0.266 563 N C -0.139 175.280 175.510 -0.152 0.000 1.024 563 N CA 0.685 53.639 53.050 -0.159 0.000 0.766 563 N CB -1.449 36.826 38.487 -0.354 0.000 0.898 563 N HN 0.420 nan 8.380 nan 0.000 0.548 564 C N -3.562 115.730 119.300 -0.014 0.000 3.307 564 C HA 0.792 5.252 4.460 0.000 0.000 0.350 564 C C 1.338 176.476 174.990 0.246 0.000 1.549 564 C CA -0.580 58.501 59.018 0.104 0.000 1.396 564 C CB 1.552 29.383 27.740 0.152 0.000 1.970 564 C HN 0.488 nan 8.230 nan 0.000 0.441 565 C N 0.087 119.572 119.300 0.309 0.000 3.095 565 C HA 0.499 4.959 4.460 0.000 0.000 0.472 565 C C 0.625 175.735 174.990 0.200 0.000 1.348 565 C CA 0.633 59.835 59.018 0.308 0.000 2.206 565 C CB -0.267 27.580 27.740 0.178 0.000 3.088 565 C HN 0.966 nan 8.230 nan 0.000 0.599 566 V N 1.489 121.412 119.914 0.015 0.000 2.914 566 V HA 0.713 4.833 4.120 0.000 0.000 0.314 566 V C -0.642 175.135 176.094 -0.528 0.000 1.084 566 V CA -0.602 61.466 62.300 -0.387 0.000 0.963 566 V CB 1.496 33.196 31.823 -0.205 0.000 1.025 566 V HN 0.417 nan 8.190 nan 0.000 0.432 567 N N 1.184 119.382 118.700 -0.838 0.000 2.381 567 N HA 0.227 4.967 4.740 0.000 0.000 0.289 567 N C 1.023 176.340 175.510 -0.322 0.000 1.288 567 N CA 0.337 53.094 53.050 -0.488 0.000 0.960 567 N CB -0.295 37.922 38.487 -0.451 0.000 1.116 567 N HN 0.942 nan 8.380 nan 0.000 0.557 568 T N -4.897 109.471 114.554 -0.310 0.000 3.160 568 T HA 0.068 4.418 4.350 0.000 0.000 0.257 568 T C 0.040 174.610 174.700 -0.218 0.000 1.147 568 T CA 0.412 62.335 62.100 -0.294 0.000 1.064 568 T CB -0.364 68.281 68.868 -0.372 0.000 0.949 568 T HN 0.411 nan 8.240 nan 0.000 0.526 569 D N 1.150 121.420 120.400 -0.217 0.000 2.342 569 D HA 0.203 4.843 4.640 0.000 0.000 0.221 569 D C 0.501 176.779 176.300 -0.037 0.000 1.101 569 D CA 0.036 53.938 54.000 -0.162 0.000 0.837 569 D CB 0.141 40.731 40.800 -0.350 0.000 0.938 569 D HN 0.310 nan 8.370 nan 0.000 0.508 570 S N 0.237 115.888 115.700 -0.082 0.000 3.476 570 S HA -0.255 4.215 4.470 0.000 0.000 0.309 570 S C 0.569 175.152 174.600 -0.029 0.000 1.222 570 S CA 0.440 58.639 58.200 -0.002 0.000 0.922 570 S CB -1.280 61.998 63.200 0.130 0.000 1.023 570 S HN 0.452 nan 8.310 nan 0.000 0.591 571 R N 1.192 121.548 120.500 -0.240 0.000 2.254 571 R HA 0.440 4.780 4.340 0.000 0.000 0.318 571 R C 0.002 175.980 176.300 -0.537 0.000 1.031 571 R CA -0.395 55.380 56.100 -0.542 0.000 0.905 571 R CB 0.686 30.635 30.300 -0.586 0.000 1.050 571 R HN 0.146 nan 8.270 nan 0.000 0.456 572 V N 6.246 125.878 119.914 -0.470 0.000 2.540 572 V HA -0.040 4.080 4.120 0.000 0.000 0.297 572 V C 0.211 176.232 176.094 -0.121 0.000 1.024 572 V CA 0.380 62.492 62.300 -0.314 0.000 1.105 572 V CB -0.132 31.465 31.823 -0.376 0.000 0.938 572 V HN 0.553 nan 8.190 nan 0.000 0.482 573 F N 3.964 123.951 119.950 0.061 0.000 2.602 573 F HA 0.405 4.932 4.527 0.000 0.000 0.385 573 F C 1.537 177.498 175.800 0.269 0.000 1.063 573 F CA 1.453 59.525 58.000 0.120 0.000 1.233 573 F CB 0.052 39.110 39.000 0.098 0.000 1.067 573 F HN 0.789 nan 8.300 nan 0.000 0.564 574 G N 2.464 111.471 108.800 0.345 0.000 2.217 574 G HA2 -0.292 3.668 3.960 0.000 0.000 0.246 574 G HA3 -0.292 3.668 3.960 0.000 0.000 0.246 574 G C -0.141 174.712 174.900 -0.078 0.000 0.990 574 G CA -0.500 44.684 45.100 0.140 0.000 0.627 574 G HN 0.478 nan 8.290 nan 0.000 0.522 575 F N 0.937 120.907 119.950 0.034 0.000 2.467 575 F HA 0.504 5.031 4.527 0.000 0.000 0.336 575 F C 1.321 177.094 175.800 -0.046 0.000 1.123 575 F CA -0.476 57.528 58.000 0.007 0.000 0.964 575 F CB 1.891 40.896 39.000 0.007 0.000 1.136 575 F HN 0.105 nan 8.300 nan 0.000 0.447 576 K N 0.268 120.760 120.400 0.153 0.000 2.243 576 K HA -0.034 4.287 4.320 0.000 0.000 0.201 576 K C 0.680 177.466 176.600 0.310 0.000 1.051 576 K CA 1.269 57.671 56.287 0.192 0.000 0.970 576 K CB 0.030 32.643 32.500 0.188 0.000 0.755 576 K HN 0.534 nan 8.250 nan 0.000 0.465 577 N N 0.450 119.311 118.700 0.269 0.000 2.194 577 N HA 0.071 4.811 4.740 0.000 0.000 0.231 577 N C -0.763 174.832 175.510 0.141 0.000 1.247 577 N CA -0.472 52.795 53.050 0.362 0.000 0.884 577 N CB 0.344 39.111 38.487 0.465 0.000 1.146 577 N HN 0.193 nan 8.380 nan 0.000 0.516 578 L N 0.824 121.927 121.223 -0.201 0.000 2.305 578 L HA 0.653 4.993 4.340 0.000 0.000 0.284 578 L C -1.636 174.825 176.870 -0.681 0.000 1.013 578 L CA -0.615 54.071 54.840 -0.256 0.000 0.819 578 L CB 0.648 42.569 42.059 -0.229 0.000 1.227 578 L HN -0.046 nan 8.230 nan 0.000 0.417 579 F N 4.968 124.832 119.950 -0.144 0.000 2.563 579 F HA 0.637 5.164 4.527 0.000 0.000 0.316 579 F C -0.546 175.095 175.800 -0.265 0.000 1.076 579 F CA -0.764 57.125 58.000 -0.184 0.000 0.921 579 F CB 1.735 40.653 39.000 -0.137 0.000 1.209 579 F HN 0.178 nan 8.300 nan 0.000 0.462 580 L N 1.996 123.173 121.223 -0.077 0.000 2.346 580 L HA 0.837 5.177 4.340 0.000 0.000 0.276 580 L C 0.061 176.946 176.870 0.024 0.000 1.006 580 L CA -0.785 53.949 54.840 -0.177 0.000 0.817 580 L CB 1.850 43.667 42.059 -0.403 0.000 1.272 580 L HN 0.797 nan 8.230 nan 0.000 0.421 581 G N 0.505 109.328 108.800 0.038 0.000 2.482 581 G HA2 0.788 4.748 3.960 0.000 0.000 0.317 581 G HA3 0.788 4.748 3.960 0.000 0.000 0.317 581 G C -0.431 174.588 174.900 0.199 0.000 1.241 581 G CA -0.235 44.984 45.100 0.198 0.000 0.967 581 G HN 0.959 nan 8.290 nan 0.000 0.482 582 G N -1.115 107.785 108.800 0.166 0.000 2.343 582 G HA2 0.045 4.005 3.960 0.000 0.000 0.465 582 G HA3 0.045 4.005 3.960 0.000 0.000 0.465 582 G C 0.811 175.737 174.900 0.044 0.000 1.282 582 G CA 0.052 45.216 45.100 0.107 0.000 0.996 582 G HN 1.184 nan 8.290 nan 0.000 0.521 583 C N 0.794 120.106 119.300 0.019 0.000 2.419 583 C HA 0.183 4.643 4.460 0.000 0.000 0.283 583 C C 3.107 178.061 174.990 -0.059 0.000 1.373 583 C CA 1.731 60.744 59.018 -0.009 0.000 1.781 583 C CB -1.466 26.310 27.740 0.060 0.000 1.886 583 C HN 1.374 nan 8.230 nan 0.000 0.520 584 G N 1.594 110.277 108.800 -0.195 0.000 2.517 584 G HA2 -0.279 3.681 3.960 0.000 0.000 0.222 584 G HA3 -0.279 3.681 3.960 0.000 0.000 0.222 584 G C 1.415 175.891 174.900 -0.706 0.000 1.109 584 G CA 1.205 45.873 45.100 -0.719 0.000 0.746 584 G HN 0.584 nan 8.290 nan 0.000 0.576 585 N N 0.432 118.941 118.700 -0.317 0.000 2.300 585 N HA 0.017 4.757 4.740 0.000 0.000 0.179 585 N C 1.078 176.578 175.510 -0.017 0.000 1.016 585 N CA 0.174 53.181 53.050 -0.072 0.000 0.876 585 N CB -0.072 38.432 38.487 0.028 0.000 0.979 585 N HN 0.325 nan 8.380 nan 0.000 0.432 586 I N 3.313 123.881 120.570 -0.005 0.000 2.581 586 I HA 0.020 4.190 4.170 0.000 0.000 0.285 586 I C -1.421 174.786 176.117 0.150 0.000 1.129 586 I CA -0.822 60.515 61.300 0.062 0.000 1.397 586 I CB 0.733 38.720 38.000 -0.021 0.000 1.399 586 I HN -0.053 nan 8.210 nan 0.000 0.537 587 P HA 0.077 nan 4.420 nan 0.000 0.267 587 P C 0.122 177.520 177.300 0.162 0.000 1.289 587 P CA 0.169 63.347 63.100 0.130 0.000 0.866 587 P CB 0.207 31.952 31.700 0.075 0.000 1.309 588 T N -2.298 112.388 114.554 0.219 0.000 2.936 588 T HA 0.702 5.052 4.350 0.000 0.000 0.282 588 T C 0.112 174.954 174.700 0.237 0.000 1.003 588 T CA -0.942 61.277 62.100 0.198 0.000 1.005 588 T CB 1.357 70.322 68.868 0.160 0.000 1.097 588 T HN 0.037 nan 8.240 nan 0.000 0.532 589 A N 1.747 124.642 122.820 0.126 0.000 2.310 589 A HA 0.597 4.917 4.320 0.000 0.000 0.300 589 A C -0.651 176.916 177.584 -0.027 0.000 1.269 589 A CA -0.788 51.272 52.037 0.037 0.000 0.909 589 A CB -0.949 18.089 19.000 0.064 0.000 1.144 589 A HN 0.854 nan 8.150 nan 0.000 0.540 590 Y N -0.093 120.145 120.300 -0.102 0.000 2.462 590 Y HA 0.712 5.262 4.550 0.000 0.000 0.346 590 Y C 0.733 176.521 175.900 -0.186 0.000 0.976 590 Y CA -0.678 57.192 58.100 -0.383 0.000 1.044 590 Y CB 1.353 39.419 38.460 -0.657 0.000 1.230 590 Y HN 0.390 nan 8.280 nan 0.000 0.455 591 G N 1.102 109.834 108.800 -0.115 0.000 2.559 591 G HA2 0.334 4.294 3.960 0.000 0.000 0.209 591 G HA3 0.334 4.294 3.960 0.000 0.000 0.209 591 G C 0.586 175.550 174.900 0.108 0.000 1.151 591 G CA 0.159 45.373 45.100 0.191 0.000 0.824 591 G HN 0.979 nan 8.290 nan 0.000 0.543 592 A N 0.816 123.513 122.820 -0.204 0.000 2.475 592 A HA 0.382 4.702 4.320 0.000 0.000 0.239 592 A C 0.009 177.437 177.584 -0.260 0.000 1.087 592 A CA -0.273 51.494 52.037 -0.449 0.000 0.779 592 A CB -0.081 18.664 19.000 -0.426 0.000 1.036 592 A HN 0.413 nan 8.150 nan 0.000 0.506 593 N N 1.678 120.112 118.700 -0.443 0.000 2.468 593 N HA 0.281 5.021 4.740 0.000 0.000 0.265 593 N C -2.139 173.285 175.510 -0.142 0.000 1.199 593 N CA -1.045 51.759 53.050 -0.410 0.000 0.928 593 N CB 0.371 38.700 38.487 -0.264 0.000 1.059 593 N HN 0.386 nan 8.380 nan 0.000 0.467 594 P HA 0.048 nan 4.420 nan 0.000 0.255 594 P C 0.432 177.611 177.300 -0.202 0.000 1.248 594 P CA 0.426 63.392 63.100 -0.224 0.000 0.807 594 P CB 0.366 31.893 31.700 -0.288 0.000 1.150 595 T N 0.822 115.347 114.554 -0.049 0.000 2.746 595 T HA -0.121 4.229 4.350 0.000 0.000 0.267 595 T C 1.699 176.459 174.700 0.100 0.000 1.039 595 T CA 1.008 63.141 62.100 0.054 0.000 1.142 595 T CB -0.736 68.219 68.868 0.145 0.000 0.866 595 T HN 0.029 nan 8.240 nan 0.000 0.444 596 L N 0.953 122.253 121.223 0.127 0.000 2.083 596 L HA -0.073 4.267 4.340 0.000 0.000 0.209 596 L C 2.515 179.455 176.870 0.116 0.000 1.083 596 L CA 1.679 56.633 54.840 0.189 0.000 0.752 596 L CB -0.977 41.181 42.059 0.166 0.000 0.899 596 L HN 0.182 nan 8.230 nan 0.000 0.433 597 T N 0.189 114.682 114.554 -0.101 0.000 2.708 597 T HA -0.027 4.324 4.350 0.000 0.000 0.266 597 T C 1.120 175.745 174.700 -0.125 0.000 1.037 597 T CA 0.843 62.816 62.100 -0.211 0.000 1.146 597 T CB -0.476 67.829 68.868 -0.939 0.000 0.865 597 T HN 0.538 nan 8.240 nan 0.000 0.435 601 L N 2.985 124.048 121.223 -0.268 0.000 2.083 601 L HA 0.159 4.499 4.340 0.000 0.000 0.209 601 L C 2.593 179.319 176.870 -0.240 0.000 1.083 601 L CA 2.286 56.973 54.840 -0.255 0.000 0.752 601 L CB -1.328 40.653 42.059 -0.130 0.000 0.899 601 L HN 0.515 nan 8.230 nan 0.000 0.433 602 A N -0.860 121.809 122.820 -0.253 0.000 1.930 602 A HA -0.138 4.182 4.320 0.000 0.000 0.217 602 A C 2.336 179.587 177.584 -0.556 0.000 1.175 602 A CA 1.356 53.119 52.037 -0.455 0.000 0.627 602 A CB -0.528 18.195 19.000 -0.462 0.000 0.815 602 A HN 0.359 nan 8.150 nan 0.000 0.443 603 I N -0.487 119.851 120.570 -0.388 0.000 2.179 603 I HA -0.257 3.913 4.170 0.000 0.000 0.242 603 I C 2.489 178.431 176.117 -0.291 0.000 1.088 603 I CA 1.811 62.916 61.300 -0.325 0.000 1.357 603 I CB -0.174 37.648 38.000 -0.297 0.000 1.051 603 I HN 0.325 nan 8.210 nan 0.000 0.409 604 K N 0.262 120.485 120.400 -0.295 0.000 2.113 604 K HA -0.242 4.078 4.320 0.000 0.000 0.208 604 K C 2.342 178.839 176.600 -0.172 0.000 1.047 604 K CA 1.853 57.994 56.287 -0.243 0.000 0.928 604 K CB -0.133 32.184 32.500 -0.305 0.000 0.716 604 K HN 0.156 nan 8.250 nan 0.000 0.446 605 S N -0.227 115.350 115.700 -0.205 0.000 2.368 605 S HA -0.142 4.328 4.470 0.000 0.000 0.224 605 S C 2.012 176.504 174.600 -0.180 0.000 1.029 605 S CA 1.338 59.455 58.200 -0.137 0.000 0.988 605 S CB -0.362 62.778 63.200 -0.101 0.000 0.838 605 S HN 0.560 nan 8.310 nan 0.000 0.462 606 C N 1.570 120.690 119.300 -0.301 0.000 2.435 606 C HA 0.032 4.492 4.460 0.000 0.000 0.279 606 C C 2.457 177.356 174.990 -0.152 0.000 1.321 606 C CA 0.525 59.382 59.018 -0.269 0.000 1.752 606 C CB -1.395 26.157 27.740 -0.313 0.000 1.959 606 C HN 0.671 nan 8.230 nan 0.000 0.500 607 E N -0.586 119.548 120.200 -0.110 0.000 2.110 607 E HA -0.244 4.106 4.350 0.000 0.000 0.193 607 E C 1.794 178.394 176.600 -0.001 0.000 0.988 607 E CA 1.367 57.734 56.400 -0.055 0.000 0.804 607 E CB -0.271 29.390 29.700 -0.064 0.000 0.745 607 E HN 0.845 nan 8.360 nan 0.000 0.458 608 Y N 1.214 121.471 120.300 -0.072 0.000 2.163 608 Y HA -0.169 4.381 4.550 0.000 0.000 0.288 608 Y C 1.993 177.919 175.900 0.043 0.000 1.136 608 Y CA 1.328 59.430 58.100 0.003 0.000 1.147 608 Y CB -0.035 38.458 38.460 0.054 0.000 0.987 608 Y HN -0.072 nan 8.280 nan 0.000 0.509 609 I N 0.458 121.080 120.570 0.087 0.000 2.208 609 I HA -0.352 3.818 4.170 0.000 0.000 0.245 609 I C 2.108 178.258 176.117 0.055 0.000 1.097 609 I CA 1.766 63.078 61.300 0.021 0.000 1.363 609 I CB -0.373 37.411 38.000 -0.360 0.000 1.051 609 I HN 0.227 nan 8.210 nan 0.000 0.413 610 K N 0.205 120.595 120.400 -0.015 0.000 2.288 610 K HA -0.120 4.200 4.320 0.000 0.000 0.201 610 K C 1.914 178.551 176.600 0.061 0.000 1.048 610 K CA 0.800 57.141 56.287 0.090 0.000 0.956 610 K CB -0.039 32.506 32.500 0.075 0.000 0.746 610 K HN 0.416 nan 8.250 nan 0.000 0.461 611 Q N -0.004 119.762 119.800 -0.057 0.000 2.432 611 Q HA 0.061 4.401 4.340 0.000 0.000 0.205 611 Q C 0.910 176.807 176.000 -0.171 0.000 0.945 611 Q CA 0.545 56.279 55.803 -0.115 0.000 0.924 611 Q CB 0.426 29.056 28.738 -0.179 0.000 1.016 611 Q HN 0.245 nan 8.270 nan 0.000 0.503 612 N N -1.143 117.448 118.700 -0.181 0.000 2.145 612 N HA 0.140 4.880 4.740 0.000 0.000 0.219 612 N C -1.049 174.207 175.510 -0.425 0.000 1.266 612 N CA 0.245 53.092 53.050 -0.338 0.000 0.902 612 N CB 1.099 39.249 38.487 -0.561 0.000 1.078 612 N HN -0.001 nan 8.380 nan 0.000 0.513 613 F N 0.636 120.612 119.950 0.043 0.000 2.562 613 F HA 0.283 4.810 4.527 0.000 0.000 0.319 613 F C 0.059 175.997 175.800 0.230 0.000 1.154 613 F CA -0.612 57.471 58.000 0.137 0.000 0.931 613 F CB 1.851 40.937 39.000 0.143 0.000 1.198 613 F HN -0.375 nan 8.300 nan 0.000 0.444 614 T N 5.601 120.324 114.554 0.282 0.000 2.749 614 T HA 0.274 4.624 4.350 0.000 0.000 0.295 614 T C -2.323 172.435 174.700 0.096 0.000 0.936 614 T CA -1.101 61.078 62.100 0.133 0.000 1.060 614 T CB 0.520 69.419 68.868 0.052 0.000 0.904 614 T HN 0.186 nan 8.240 nan 0.000 0.500 615 P HA 0.139 nan 4.420 nan 0.000 0.271 615 P C -0.039 177.183 177.300 -0.130 0.000 1.218 615 P CA -0.459 62.405 63.100 -0.394 0.000 0.780 615 P CB 0.507 31.536 31.700 -1.119 0.000 0.901 616 S N 2.740 118.421 115.700 -0.032 0.000 2.585 616 S HA 0.369 4.839 4.470 0.000 0.000 0.273 616 S C -2.254 172.342 174.600 -0.006 0.000 1.339 616 S CA -0.978 57.219 58.200 -0.004 0.000 1.028 616 S CB -0.760 62.448 63.200 0.013 0.000 0.906 616 S HN 0.280 nan 8.310 nan 0.000 0.528 617 P HA 0.209 nan 4.420 nan 0.000 0.271 617 P C -0.665 176.679 177.300 0.074 0.000 1.216 617 P CA -0.486 62.639 63.100 0.041 0.000 0.776 617 P CB 0.102 31.820 31.700 0.029 0.000 0.881 618 F N 3.269 123.204 119.950 -0.026 0.000 2.557 618 F HA 0.080 4.607 4.527 0.000 0.000 0.384 618 F C 0.436 176.229 175.800 -0.012 0.000 1.057 618 F CA 0.944 58.935 58.000 -0.015 0.000 1.169 618 F CB -0.041 38.951 39.000 -0.013 0.000 1.070 618 F HN 0.256 nan 8.300 nan 0.000 0.554 619 T N 0.000 114.356 114.554 -0.330 0.000 3.816 619 T HA 0.000 4.350 4.350 0.000 0.000 0.228 619 T CA 0.000 61.985 62.100 -0.191 0.000 1.349 619 T CB 0.000 68.785 68.868 -0.139 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658