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_B 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 0.000 176.113 176.300 -0.312 0.000 2.045 44 D CA 0.000 53.846 54.000 -0.257 0.000 0.868 44 D CB 0.000 40.561 40.800 -0.399 0.000 0.688 45 I N 0.350 120.772 120.570 -0.247 0.000 2.193 45 I HA -0.047 4.123 4.170 0.000 0.000 0.240 45 I C 0.605 176.583 176.117 -0.232 0.000 1.084 45 I CA 1.568 62.758 61.300 -0.183 0.000 1.365 45 I CB 0.043 37.980 38.000 -0.105 0.000 1.064 45 I HN 0.253 nan 8.210 nan 0.000 0.410 46 K N 0.052 120.267 120.400 -0.307 0.000 2.292 46 K HA 0.333 4.653 4.320 0.000 0.000 0.257 46 K C -1.508 174.814 176.600 -0.463 0.000 0.940 46 K CA -0.317 55.816 56.287 -0.257 0.000 0.811 46 K CB 1.084 33.509 32.500 -0.126 0.000 1.120 46 K HN -0.122 nan 8.250 nan 0.000 0.428 47 Y N 1.432 121.728 120.300 -0.007 0.000 2.528 47 Y HA 0.240 4.790 4.550 0.000 0.000 0.335 47 Y C 0.796 176.666 175.900 -0.050 0.000 1.093 47 Y CA -0.715 57.373 58.100 -0.019 0.000 1.134 47 Y CB 1.661 40.111 38.460 -0.018 0.000 1.253 47 Y HN 0.681 nan 8.280 nan 0.000 0.478 48 D N 0.252 120.752 120.400 0.166 0.000 2.137 48 D HA 0.044 4.684 4.640 0.000 0.000 0.202 48 D C -0.471 175.815 176.300 -0.024 0.000 0.970 48 D CA 1.355 55.414 54.000 0.099 0.000 0.837 48 D CB 0.354 41.286 40.800 0.219 0.000 0.981 48 D HN 0.156 nan 8.370 nan 0.000 0.475 49 V N 0.746 120.643 119.914 -0.028 0.000 2.623 49 V HA 0.371 4.491 4.120 0.000 0.000 0.304 49 V C -0.497 175.509 176.094 -0.147 0.000 1.054 49 V CA -0.843 61.361 62.300 -0.160 0.000 0.882 49 V CB 2.767 34.480 31.823 -0.184 0.000 1.002 49 V HN -0.307 nan 8.190 nan 0.000 0.424 50 V N 6.149 125.942 119.914 -0.203 0.000 2.448 50 V HA 0.571 4.691 4.120 0.000 0.000 0.295 50 V C -0.457 175.594 176.094 -0.072 0.000 1.025 50 V CA -0.316 61.925 62.300 -0.099 0.000 0.859 50 V CB 1.868 33.696 31.823 0.008 0.000 0.988 50 V HN 0.739 nan 8.190 nan 0.000 0.431 51 I N 5.309 125.848 120.570 -0.052 0.000 2.441 51 I HA 0.488 4.659 4.170 0.000 0.000 0.295 51 I C -0.554 175.590 176.117 0.045 0.000 0.994 51 I CA -0.806 60.454 61.300 -0.067 0.000 1.144 51 I CB 2.200 40.134 38.000 -0.109 0.000 1.314 51 I HN 0.234 nan 8.210 nan 0.000 0.445 52 V N 5.312 125.238 119.914 0.019 0.000 2.347 52 V HA 0.817 4.937 4.120 0.000 0.000 0.280 52 V C 0.326 176.430 176.094 0.018 0.000 1.021 52 V CA -0.352 61.984 62.300 0.060 0.000 0.847 52 V CB 0.684 32.520 31.823 0.021 0.000 0.990 52 V HN 1.056 nan 8.190 nan 0.000 0.444 53 G N 4.022 112.847 108.800 0.041 0.000 2.911 53 G HA2 0.008 3.968 3.960 0.000 0.000 0.686 53 G HA3 0.008 3.968 3.960 0.000 0.000 0.686 53 G C -0.116 174.797 174.900 0.023 0.000 1.136 53 G CA -0.225 44.887 45.100 0.020 0.000 0.764 53 G HN 1.469 nan 8.290 nan 0.000 0.626 54 S N 1.100 116.815 115.700 0.025 0.000 2.661 54 S HA 0.640 5.110 4.470 0.000 0.000 0.245 54 S C 1.151 175.761 174.600 0.016 0.000 1.117 54 S CA 0.699 58.919 58.200 0.034 0.000 1.091 54 S CB 0.541 63.773 63.200 0.053 0.000 0.887 54 S HN 1.989 nan 8.310 nan 0.000 0.491 55 G N 2.546 111.346 108.800 0.000 0.000 2.553 55 G HA2 0.444 4.404 3.960 0.000 0.000 0.278 55 G HA3 0.444 4.404 3.960 0.000 0.000 0.278 55 G C -1.207 173.671 174.900 -0.037 0.000 1.349 55 G CA -1.377 43.704 45.100 -0.031 0.000 1.037 55 G HN 0.265 nan 8.290 nan 0.000 0.508 56 P HA -0.042 nan 4.420 nan 0.000 0.221 56 P C 1.762 179.005 177.300 -0.096 0.000 1.150 56 P CA 0.649 63.700 63.100 -0.082 0.000 0.800 56 P CB 0.195 31.893 31.700 -0.002 0.000 0.787 57 I N 0.449 120.998 120.570 -0.034 0.000 2.233 57 I HA -0.074 4.096 4.170 0.000 0.000 0.243 57 I C 2.737 178.907 176.117 0.088 0.000 1.093 57 I CA 1.670 62.981 61.300 0.017 0.000 1.380 57 I CB -2.365 35.673 38.000 0.063 0.000 1.067 57 I HN 0.004 nan 8.210 nan 0.000 0.413 58 G N 0.471 109.306 108.800 0.059 0.000 2.469 58 G HA2 -0.260 3.700 3.960 0.000 0.000 0.219 58 G HA3 -0.260 3.700 3.960 0.000 0.000 0.219 58 G C 1.780 176.680 174.900 -0.000 0.000 1.150 58 G CA 1.129 46.257 45.100 0.045 0.000 0.763 58 G HN 0.424 nan 8.290 nan 0.000 0.561 59 C N 0.574 119.846 119.300 -0.047 0.000 2.432 59 C HA 0.027 4.487 4.460 0.000 0.000 0.280 59 C C 3.179 178.042 174.990 -0.211 0.000 1.353 59 C CA 1.352 60.298 59.018 -0.120 0.000 1.766 59 C CB -1.034 26.679 27.740 -0.045 0.000 1.924 59 C HN 0.456 nan 8.230 nan 0.000 0.509 60 T N 0.020 114.475 114.554 -0.165 0.000 2.701 60 T HA -0.153 4.197 4.350 0.000 0.000 0.263 60 T C 1.476 176.020 174.700 -0.261 0.000 1.040 60 T CA 1.578 63.558 62.100 -0.201 0.000 1.147 60 T CB -0.440 68.315 68.868 -0.187 0.000 0.865 60 T HN 0.534 nan 8.240 nan 0.000 0.426 61 Y N 1.656 121.819 120.300 -0.228 0.000 2.114 61 Y HA -0.170 4.380 4.550 0.000 0.000 0.282 61 Y C 2.736 178.414 175.900 -0.370 0.000 1.165 61 Y CA 1.175 59.116 58.100 -0.265 0.000 1.148 61 Y CB -0.808 37.515 38.460 -0.228 0.000 0.972 61 Y HN 0.210 nan 8.280 nan 0.000 0.504 62 A N 0.050 122.663 122.820 -0.345 0.000 1.845 62 A HA -0.226 4.094 4.320 0.000 0.000 0.215 62 A C 2.344 179.320 177.584 -1.013 0.000 1.195 62 A CA 1.799 53.355 52.037 -0.802 0.000 0.616 62 A CB -0.815 17.443 19.000 -1.237 0.000 0.832 62 A HN 0.378 nan 8.150 nan 0.000 0.443 63 R N -0.363 119.626 120.500 -0.852 0.000 2.096 63 R HA -0.187 4.153 4.340 0.000 0.000 0.240 63 R C 2.050 178.153 176.300 -0.329 0.000 1.139 63 R CA 1.950 57.760 56.100 -0.483 0.000 0.952 63 R CB -0.339 29.697 30.300 -0.440 0.000 0.854 63 R HN 0.626 nan 8.270 nan 0.000 0.436 64 E N 0.221 120.255 120.200 -0.277 0.000 2.072 64 E HA -0.164 4.187 4.350 0.000 0.000 0.191 64 E C 2.133 178.648 176.600 -0.141 0.000 0.985 64 E CA 1.101 57.405 56.400 -0.160 0.000 0.801 64 E CB -0.043 29.560 29.700 -0.162 0.000 0.750 64 E HN 0.416 nan 8.360 nan 0.000 0.452 65 L N 0.156 121.260 121.223 -0.198 0.000 2.202 65 L HA -0.042 4.299 4.340 0.000 0.000 0.205 65 L C 2.525 179.386 176.870 -0.015 0.000 1.083 65 L CA 0.248 54.993 54.840 -0.158 0.000 0.790 65 L CB -0.229 41.660 42.059 -0.284 0.000 0.942 65 L HN -0.047 nan 8.230 nan 0.000 0.452 66 V N 0.629 120.474 119.914 -0.114 0.000 2.295 66 V HA -0.211 3.910 4.120 0.000 0.000 0.246 66 V C 2.617 178.732 176.094 0.035 0.000 1.049 66 V CA 2.129 64.419 62.300 -0.017 0.000 1.024 66 V CB -1.177 30.590 31.823 -0.092 0.000 0.648 66 V HN 0.566 nan 8.190 nan 0.000 0.447 67 G N -0.655 108.141 108.800 -0.006 0.000 2.470 67 G HA2 -0.124 3.837 3.960 0.000 0.000 0.220 67 G HA3 -0.124 3.837 3.960 0.000 0.000 0.220 67 G C 1.396 176.313 174.900 0.029 0.000 1.121 67 G CA 0.839 45.944 45.100 0.007 0.000 0.766 67 G HN 0.644 nan 8.290 nan 0.000 0.553 68 A N -0.602 122.267 122.820 0.081 0.000 2.307 68 A HA 0.509 4.829 4.320 0.000 0.000 0.218 68 A C 1.889 179.524 177.584 0.085 0.000 1.228 68 A CA 1.129 53.238 52.037 0.120 0.000 0.857 68 A CB -0.295 18.843 19.000 0.230 0.000 0.897 68 A HN 1.491 nan 8.150 nan 0.000 0.495 69 G N -2.123 106.727 108.800 0.084 0.000 2.176 69 G HA2 -0.264 3.696 3.960 0.000 0.000 0.232 69 G HA3 -0.264 3.696 3.960 0.000 0.000 0.232 69 G C -0.043 174.861 174.900 0.006 0.000 0.986 69 G CA 0.095 45.198 45.100 0.006 0.000 0.643 69 G HN 0.390 nan 8.290 nan 0.000 0.522 70 Y N 0.707 121.018 120.300 0.018 0.000 2.397 70 Y HA 0.421 4.971 4.550 0.000 0.000 0.335 70 Y C 1.132 177.067 175.900 0.059 0.000 1.213 70 Y CA 0.000 58.118 58.100 0.030 0.000 1.391 70 Y CB 0.708 39.167 38.460 -0.002 0.000 1.293 70 Y HN 0.098 nan 8.280 nan 0.000 0.557 71 K N 2.883 123.423 120.400 0.232 0.000 2.336 71 K HA 0.332 4.652 4.320 0.000 0.000 0.290 71 K C -1.453 175.276 176.600 0.215 0.000 1.067 71 K CA -0.097 56.321 56.287 0.218 0.000 0.962 71 K CB -0.030 32.587 32.500 0.195 0.000 1.008 71 K HN 0.491 nan 8.250 nan 0.000 0.467 72 V N 3.896 123.904 119.914 0.157 0.000 2.459 72 V HA 0.525 4.645 4.120 0.000 0.000 0.295 72 V C 0.126 176.043 176.094 -0.296 0.000 1.029 72 V CA -0.763 61.546 62.300 0.015 0.000 0.874 72 V CB 1.239 33.116 31.823 0.089 0.000 0.985 72 V HN 0.941 nan 8.190 nan 0.000 0.438 76 D N 2.406 122.904 120.400 0.163 0.000 2.619 76 D HA 0.379 5.019 4.640 0.000 0.000 0.241 76 D C 0.364 176.695 176.300 0.051 0.000 1.087 76 D CA -0.407 53.640 54.000 0.078 0.000 0.851 76 D CB 2.678 43.503 40.800 0.042 0.000 1.474 76 D HN 0.694 nan 8.370 nan 0.000 0.478 77 I N 1.666 122.215 120.570 -0.035 0.000 2.546 77 I HA 0.049 4.219 4.170 0.000 0.000 0.255 77 I C 1.131 177.205 176.117 -0.072 0.000 1.163 77 I CA 0.683 61.914 61.300 -0.114 0.000 1.457 77 I CB 0.137 37.952 38.000 -0.307 0.000 1.092 77 I HN 0.334 nan 8.210 nan 0.000 0.434 78 G N -0.019 108.759 108.800 -0.035 0.000 2.537 78 G HA2 0.417 4.377 3.960 0.000 0.000 0.297 78 G HA3 0.417 4.377 3.960 0.000 0.000 0.297 78 G C -0.875 174.045 174.900 0.032 0.000 1.310 78 G CA -0.413 44.691 45.100 0.008 0.000 1.027 78 G HN 0.309 nan 8.290 nan 0.000 0.505 79 E N -1.469 118.756 120.200 0.043 0.000 2.378 79 E HA 0.377 4.727 4.350 0.000 0.000 0.265 79 E C -0.704 175.923 176.600 0.045 0.000 0.932 79 E CA -0.795 55.633 56.400 0.046 0.000 0.795 79 E CB 2.557 32.288 29.700 0.050 0.000 1.296 79 E HN 0.271 nan 8.360 nan 0.000 0.438 80 I N 2.630 123.225 120.570 0.042 0.000 2.505 80 I HA 0.010 4.180 4.170 0.000 0.000 0.287 80 I C 0.174 176.321 176.117 0.051 0.000 1.104 80 I CA 0.635 61.961 61.300 0.043 0.000 1.387 80 I CB 0.124 38.144 38.000 0.034 0.000 1.404 80 I HN 0.525 nan 8.210 nan 0.000 0.528 81 D N 3.886 124.322 120.400 0.060 0.000 2.740 81 D HA -0.013 4.627 4.640 0.000 0.000 0.305 81 D C 0.063 176.416 176.300 0.088 0.000 1.583 81 D CA -0.136 53.905 54.000 0.069 0.000 0.790 81 D CB 0.187 41.026 40.800 0.066 0.000 1.187 81 D HN 0.441 nan 8.370 nan 0.000 0.447 82 S N -0.627 115.129 115.700 0.093 0.000 2.694 82 S HA 0.580 5.050 4.470 0.000 0.000 0.232 82 S C 0.688 175.358 174.600 0.117 0.000 1.017 82 S CA 0.167 58.440 58.200 0.123 0.000 1.139 82 S CB 0.473 63.755 63.200 0.137 0.000 1.247 82 S HN 0.834 nan 8.310 nan 0.000 0.452 83 G N 1.378 110.236 108.800 0.096 0.000 2.685 83 G HA2 -0.170 3.790 3.960 0.000 0.000 0.387 83 G HA3 -0.170 3.790 3.960 0.000 0.000 0.387 83 G C 0.188 175.124 174.900 0.060 0.000 1.324 83 G CA -0.389 44.761 45.100 0.083 0.000 0.878 83 G HN 0.618 nan 8.290 nan 0.000 0.527 84 L N 0.002 121.254 121.223 0.048 0.000 2.376 84 L HA 0.076 4.416 4.340 0.000 0.000 0.219 84 L C 1.547 178.431 176.870 0.024 0.000 1.133 84 L CA 0.963 55.821 54.840 0.029 0.000 0.816 84 L CB -0.348 41.723 42.059 0.020 0.000 0.933 84 L HN 0.333 nan 8.230 nan 0.000 0.449 85 K N 1.841 122.265 120.400 0.040 0.000 2.250 85 K HA 0.313 4.633 4.320 0.000 0.000 0.285 85 K C -0.228 176.398 176.600 0.043 0.000 1.097 85 K CA -0.225 56.083 56.287 0.035 0.000 0.913 85 K CB 0.861 33.397 32.500 0.060 0.000 1.179 85 K HN 0.109 nan 8.250 nan 0.000 0.462 86 I N 2.021 122.602 120.570 0.018 0.000 2.587 86 I HA -0.068 4.103 4.170 0.000 0.000 0.284 86 I C 1.323 177.464 176.117 0.040 0.000 1.134 86 I CA 0.683 61.999 61.300 0.026 0.000 1.410 86 I CB 0.229 38.235 38.000 0.010 0.000 1.392 86 I HN 0.945 nan 8.210 nan 0.000 0.545 87 G N 4.474 113.309 108.800 0.057 0.000 2.160 87 G HA2 -0.209 3.751 3.960 0.000 0.000 0.251 87 G HA3 -0.209 3.751 3.960 0.000 0.000 0.251 87 G C 0.344 175.300 174.900 0.092 0.000 1.008 87 G CA 0.098 45.236 45.100 0.064 0.000 0.724 87 G HN 0.970 nan 8.290 nan 0.000 0.514 88 A N -0.328 122.563 122.820 0.118 0.000 2.313 88 A HA 0.586 4.906 4.320 0.000 0.000 0.261 88 A C 0.698 178.415 177.584 0.221 0.000 1.090 88 A CA -0.329 51.813 52.037 0.176 0.000 0.807 88 A CB 0.231 19.335 19.000 0.173 0.000 1.055 88 A HN 0.600 nan 8.150 nan 0.000 0.492 89 H N 0.603 119.807 119.070 0.223 0.000 3.070 89 H HA 0.023 4.579 4.556 0.000 0.000 0.313 89 H C 0.700 176.164 175.328 0.227 0.000 0.997 89 H CA 0.972 57.167 56.048 0.246 0.000 1.438 89 H CB 0.663 30.588 29.762 0.271 0.000 1.455 89 H HN 0.662 nan 8.280 nan 0.000 0.575 90 K N 3.609 124.197 120.400 0.312 0.000 2.439 90 K HA -0.064 4.256 4.320 0.000 0.000 0.197 90 K C 1.824 178.685 176.600 0.435 0.000 1.041 90 K CA 0.436 56.970 56.287 0.413 0.000 0.970 90 K CB 0.425 33.172 32.500 0.411 0.000 0.773 90 K HN 0.430 nan 8.250 nan 0.000 0.479 91 K N 0.979 121.505 120.400 0.210 0.000 2.366 91 K HA -0.006 4.314 4.320 0.000 0.000 0.198 91 K C 0.353 176.995 176.600 0.069 0.000 1.044 91 K CA 0.465 56.549 56.287 -0.339 0.000 0.973 91 K CB 0.176 32.150 32.500 -0.877 0.000 0.767 91 K HN 0.069 nan 8.250 nan 0.000 0.475 92 N N 2.078 120.914 118.700 0.225 0.000 2.542 92 N HA -0.047 4.693 4.740 0.000 0.000 0.234 92 N C -0.433 175.329 175.510 0.420 0.000 1.257 92 N CA 0.418 53.617 53.050 0.248 0.000 0.883 92 N CB 0.124 38.792 38.487 0.300 0.000 1.197 92 N HN 0.241 nan 8.380 nan 0.000 0.488 93 T N -4.395 110.394 114.554 0.391 0.000 2.895 93 T HA 0.328 4.678 4.350 0.000 0.000 0.283 93 T C 1.521 176.456 174.700 0.391 0.000 1.014 93 T CA -0.819 61.499 62.100 0.364 0.000 1.037 93 T CB 1.744 70.775 68.868 0.273 0.000 1.006 93 T HN -0.182 nan 8.240 nan 0.000 0.468 94 V N 1.653 121.753 119.914 0.310 0.000 2.392 94 V HA -0.139 3.981 4.120 0.000 0.000 0.249 94 V C 2.788 178.974 176.094 0.154 0.000 1.059 94 V CA 2.463 64.918 62.300 0.257 0.000 1.051 94 V CB -0.979 30.894 31.823 0.083 0.000 0.658 94 V HN 1.065 nan 8.190 nan 0.000 0.455 95 E N -0.480 119.750 120.200 0.051 0.000 2.072 95 E HA -0.215 4.136 4.350 0.000 0.000 0.191 95 E C 2.037 178.594 176.600 -0.071 0.000 0.985 95 E CA 1.548 57.909 56.400 -0.064 0.000 0.801 95 E CB -0.327 29.262 29.700 -0.186 0.000 0.750 95 E HN 0.658 nan 8.360 nan 0.000 0.452 96 Y N 0.867 121.237 120.300 0.117 0.000 2.293 96 Y HA -0.066 4.484 4.550 0.000 0.000 0.291 96 Y C 2.032 177.952 175.900 0.033 0.000 1.137 96 Y CA 1.354 59.508 58.100 0.091 0.000 1.202 96 Y CB -0.134 38.398 38.460 0.120 0.000 0.990 96 Y HN 0.195 nan 8.280 nan 0.000 0.537 97 Q N -0.455 119.450 119.800 0.176 0.000 2.425 97 Q HA -0.041 4.299 4.340 0.000 0.000 0.204 97 Q C 1.571 177.632 176.000 0.101 0.000 0.933 97 Q CA 0.456 56.321 55.803 0.103 0.000 0.939 97 Q CB 0.100 28.854 28.738 0.026 0.000 1.044 97 Q HN 0.455 nan 8.270 nan 0.000 0.513 98 K N 0.334 120.791 120.400 0.096 0.000 2.361 98 K HA 0.081 4.402 4.320 0.000 0.000 0.196 98 K C 0.392 177.018 176.600 0.044 0.000 1.039 98 K CA 0.385 56.709 56.287 0.062 0.000 1.001 98 K CB 0.506 33.034 32.500 0.045 0.000 0.795 98 K HN 0.074 nan 8.250 nan 0.000 0.495 99 N N 1.086 119.821 118.700 0.058 0.000 2.703 99 N HA 0.063 4.803 4.740 0.000 0.000 0.283 99 N C 0.142 175.693 175.510 0.068 0.000 1.851 99 N CA 0.046 53.123 53.050 0.044 0.000 0.826 99 N CB 1.017 39.522 38.487 0.030 0.000 1.239 99 N HN -0.013 nan 8.380 nan 0.000 0.495 100 I N 1.902 122.485 120.570 0.023 0.000 2.454 100 I HA -0.228 3.942 4.170 0.000 0.000 0.254 100 I C 1.926 177.882 176.117 -0.269 0.000 1.156 100 I CA 1.497 62.782 61.300 -0.026 0.000 1.433 100 I CB 0.049 38.047 38.000 -0.004 0.000 1.082 100 I HN 0.276 nan 8.210 nan 0.000 0.432 101 D N -0.081 120.050 120.400 -0.449 0.000 2.311 101 D HA -0.242 4.398 4.640 0.000 0.000 0.212 101 D C 1.537 177.562 176.300 -0.458 0.000 0.972 101 D CA 1.034 54.478 54.000 -0.927 0.000 0.887 101 D CB -0.413 40.107 40.800 -0.467 0.000 0.915 101 D HN 0.305 nan 8.370 nan 0.000 0.497 102 K N -0.646 119.684 120.400 -0.116 0.000 2.379 102 K HA 0.050 4.370 4.320 0.000 0.000 0.194 102 K C 1.488 178.136 176.600 0.080 0.000 1.031 102 K CA -0.262 56.053 56.287 0.047 0.000 1.037 102 K CB -0.325 32.289 32.500 0.190 0.000 0.824 102 K HN 0.172 nan 8.250 nan 0.000 0.516 103 F N 1.495 121.366 119.950 -0.132 0.000 2.365 103 F HA -0.140 4.387 4.527 0.000 0.000 0.300 103 F C 2.021 177.732 175.800 -0.148 0.000 1.090 103 F CA 0.397 58.237 58.000 -0.268 0.000 1.408 103 F CB -0.098 38.723 39.000 -0.298 0.000 1.060 103 F HN -0.242 nan 8.300 nan 0.000 0.534 104 V N 1.091 120.961 119.914 -0.072 0.000 2.282 104 V HA -0.371 3.749 4.120 0.000 0.000 0.249 104 V C 2.175 178.162 176.094 -0.179 0.000 1.057 104 V CA 2.684 64.926 62.300 -0.096 0.000 1.032 104 V CB -0.535 31.239 31.823 -0.080 0.000 0.645 104 V HN 0.418 nan 8.190 nan 0.000 0.447 105 N N 0.016 118.619 118.700 -0.161 0.000 2.149 105 N HA -0.149 4.591 4.740 0.000 0.000 0.188 105 N C 1.740 177.122 175.510 -0.212 0.000 1.019 105 N CA 1.891 54.857 53.050 -0.141 0.000 0.857 105 N CB -0.520 37.926 38.487 -0.068 0.000 0.997 105 N HN 0.497 nan 8.380 nan 0.000 0.426 106 V N 1.971 121.643 119.914 -0.404 0.000 2.270 106 V HA -0.177 3.944 4.120 0.000 0.000 0.245 106 V C 2.409 178.228 176.094 -0.457 0.000 1.043 106 V CA 1.169 63.160 62.300 -0.515 0.000 1.014 106 V CB -0.491 30.719 31.823 -1.023 0.000 0.645 106 V HN 0.157 nan 8.190 nan 0.000 0.447 107 I N -0.265 119.967 120.570 -0.563 0.000 2.113 107 I HA -0.332 3.838 4.170 0.000 0.000 0.242 107 I C 2.776 178.787 176.117 -0.176 0.000 1.064 107 I CA 1.644 62.751 61.300 -0.320 0.000 1.320 107 I CB -0.474 37.463 38.000 -0.105 0.000 1.028 107 I HN 0.310 nan 8.210 nan 0.000 0.406 108 Q N 0.446 120.189 119.800 -0.096 0.000 2.170 108 Q HA -0.132 4.209 4.340 0.000 0.000 0.203 108 Q C 2.292 178.258 176.000 -0.056 0.000 0.976 108 Q CA 1.683 57.464 55.803 -0.037 0.000 0.858 108 Q CB -0.800 27.910 28.738 -0.046 0.000 0.907 108 Q HN 0.639 nan 8.270 nan 0.000 0.433 109 G N 0.946 109.694 108.800 -0.086 0.000 2.498 109 G HA2 -0.224 3.736 3.960 0.000 0.000 0.219 109 G HA3 -0.224 3.736 3.960 0.000 0.000 0.219 109 G C 0.974 175.850 174.900 -0.040 0.000 1.119 109 G CA 0.843 45.908 45.100 -0.057 0.000 0.766 109 G HN 0.527 nan 8.290 nan 0.000 0.552 110 Q N -0.845 118.917 119.800 -0.064 0.000 2.135 110 Q HA 0.511 4.851 4.340 0.000 0.000 0.231 110 Q C 0.248 176.229 176.000 -0.032 0.000 0.817 110 Q CA -0.332 55.455 55.803 -0.028 0.000 1.073 110 Q CB 0.236 28.972 28.738 -0.002 0.000 1.176 110 Q HN 0.273 nan 8.270 nan 0.000 0.478 114 V N 1.503 121.480 119.914 0.105 0.000 2.283 114 V HA 0.135 4.255 4.120 0.000 0.000 0.243 114 V C 1.122 177.244 176.094 0.046 0.000 1.039 114 V CA 1.611 63.970 62.300 0.098 0.000 1.016 114 V CB 0.225 32.144 31.823 0.159 0.000 0.650 114 V HN 0.796 nan 8.190 nan 0.000 0.449 115 S N -0.206 115.539 115.700 0.076 0.000 2.789 115 S HA 0.516 4.987 4.470 0.000 0.000 0.286 115 S C -1.052 173.569 174.600 0.034 0.000 1.153 115 S CA -0.477 57.733 58.200 0.016 0.000 1.084 115 S CB 1.295 64.475 63.200 -0.033 0.000 1.036 115 S HN 0.040 nan 8.310 nan 0.000 0.484 116 V N 8.066 127.986 119.914 0.010 0.000 2.370 116 V HA 0.543 4.663 4.120 0.000 0.000 0.279 116 V C -1.867 174.222 176.094 -0.008 0.000 1.029 116 V CA -1.774 60.529 62.300 0.005 0.000 0.870 116 V CB 1.359 33.184 31.823 0.004 0.000 0.984 116 V HN 0.706 nan 8.190 nan 0.000 0.451 117 P HA 0.198 nan 4.420 nan 0.000 0.274 117 P C -0.207 177.078 177.300 -0.024 0.000 1.256 117 P CA -0.200 62.892 63.100 -0.015 0.000 0.795 117 P CB 0.954 32.645 31.700 -0.014 0.000 1.038 118 V N 2.058 121.959 119.914 -0.021 0.000 2.673 118 V HA -0.035 4.086 4.120 0.000 0.000 0.303 118 V C 1.242 177.297 176.094 -0.066 0.000 1.046 118 V CA 0.246 62.528 62.300 -0.029 0.000 1.126 118 V CB -0.660 31.166 31.823 0.005 0.000 0.934 118 V HN 0.628 nan 8.190 nan 0.000 0.487 119 N N 3.376 122.031 118.700 -0.075 0.000 2.444 119 N HA 0.136 4.877 4.740 0.000 0.000 0.271 119 N C 0.481 175.859 175.510 -0.220 0.000 1.069 119 N CA 0.215 53.201 53.050 -0.108 0.000 0.965 119 N CB 1.633 40.082 38.487 -0.063 0.000 1.092 119 N HN 0.865 nan 8.380 nan 0.000 0.476 120 T N 1.234 115.548 114.554 -0.399 0.000 3.296 120 T HA 0.210 4.560 4.350 0.000 0.000 0.285 120 T C 0.455 174.768 174.700 -0.645 0.000 1.014 120 T CA -0.569 60.938 62.100 -0.989 0.000 0.920 120 T CB -0.096 68.168 68.868 -1.007 0.000 1.143 120 T HN 0.156 nan 8.240 nan 0.000 0.522 121 L N 2.243 123.329 121.223 -0.228 0.000 2.456 121 L HA 0.334 4.674 4.340 0.000 0.000 0.272 121 L C 0.322 177.256 176.870 0.106 0.000 1.189 121 L CA -0.398 54.408 54.840 -0.057 0.000 0.846 121 L CB 0.780 42.831 42.059 -0.012 0.000 1.111 121 L HN 0.176 nan 8.230 nan 0.000 0.475 122 V N 4.699 124.684 119.914 0.118 0.000 2.364 122 V HA 0.248 4.368 4.120 0.000 0.000 0.272 122 V C 0.157 176.321 176.094 0.118 0.000 1.036 122 V CA -0.556 61.860 62.300 0.193 0.000 0.880 122 V CB 1.668 33.587 31.823 0.160 0.000 0.991 122 V HN 0.438 nan 8.190 nan 0.000 0.460 123 V N 5.680 125.664 119.914 0.117 0.000 2.293 123 V HA 0.339 4.459 4.120 0.000 0.000 0.275 123 V C 0.265 176.392 176.094 0.055 0.000 1.021 123 V CA -0.410 61.934 62.300 0.074 0.000 0.815 123 V CB 1.318 33.185 31.823 0.074 0.000 1.025 123 V HN 1.052 nan 8.190 nan 0.000 0.448 124 D N 1.999 122.424 120.400 0.042 0.000 2.479 124 D HA -0.010 4.630 4.640 0.000 0.000 0.218 124 D C 1.189 177.499 176.300 0.017 0.000 1.177 124 D CA 0.306 54.321 54.000 0.025 0.000 0.830 124 D CB 0.415 41.229 40.800 0.024 0.000 1.014 124 D HN 0.535 nan 8.370 nan 0.000 0.503 125 T N -1.689 112.879 114.554 0.022 0.000 3.145 125 T HA 0.286 4.636 4.350 0.000 0.000 0.255 125 T C 0.956 175.668 174.700 0.020 0.000 1.039 125 T CA -0.537 61.573 62.100 0.018 0.000 0.928 125 T CB -0.146 68.733 68.868 0.019 0.000 1.029 125 T HN 0.037 nan 8.240 nan 0.000 0.554 126 L N 2.569 123.805 121.223 0.022 0.000 2.543 126 L HA 0.115 4.455 4.340 0.000 0.000 0.285 126 L C 1.138 178.018 176.870 0.016 0.000 1.236 126 L CA -0.240 54.615 54.840 0.026 0.000 0.871 126 L CB 0.207 42.283 42.059 0.029 0.000 1.121 126 L HN 0.300 nan 8.230 nan 0.000 0.501 127 S N 3.547 119.260 115.700 0.021 0.000 2.552 127 S HA 0.076 4.546 4.470 0.000 0.000 0.289 127 S C -1.385 173.221 174.600 0.009 0.000 1.304 127 S CA -1.043 57.167 58.200 0.016 0.000 1.063 127 S CB 0.777 63.990 63.200 0.023 0.000 0.848 127 S HN 0.408 nan 8.310 nan 0.000 0.499 128 P HA -0.002 nan 4.420 nan 0.000 0.228 128 P C 1.169 178.464 177.300 -0.008 0.000 1.151 128 P CA 0.812 63.906 63.100 -0.011 0.000 0.770 128 P CB 0.031 31.725 31.700 -0.010 0.000 0.786 129 T N -1.522 113.037 114.554 0.008 0.000 3.023 129 T HA 0.049 4.400 4.350 0.000 0.000 0.266 129 T C 0.875 175.602 174.700 0.045 0.000 1.093 129 T CA 0.609 62.723 62.100 0.023 0.000 1.129 129 T CB -0.293 68.590 68.868 0.026 0.000 0.899 129 T HN 0.080 nan 8.240 nan 0.000 0.491 130 S N 0.804 116.532 115.700 0.047 0.000 2.565 130 S HA 0.198 4.668 4.470 0.000 0.000 0.276 130 S C -0.629 174.038 174.600 0.112 0.000 1.326 130 S CA -0.781 57.474 58.200 0.093 0.000 1.045 130 S CB 0.379 63.630 63.200 0.086 0.000 0.918 130 S HN 0.495 nan 8.310 nan 0.000 0.505 131 W N 3.207 124.516 121.300 0.014 0.000 2.322 131 W HA 0.133 4.793 4.660 0.000 0.000 0.328 131 W C 0.410 176.944 176.519 0.025 0.000 1.395 131 W CA 0.438 57.791 57.345 0.013 0.000 1.267 131 W CB 0.161 29.629 29.460 0.013 0.000 1.259 131 W HN 0.540 nan 8.180 nan 0.000 0.560 132 Q N 4.354 123.876 119.800 -0.464 0.000 2.365 132 Q HA 0.621 4.961 4.340 0.000 0.000 0.269 132 Q C -0.503 175.095 176.000 -0.670 0.000 1.061 132 Q CA -0.921 54.683 55.803 -0.333 0.000 0.816 132 Q CB 1.810 30.403 28.738 -0.242 0.000 1.325 132 Q HN 0.574 nan 8.270 nan 0.000 0.446 133 A N 1.887 124.561 122.820 -0.243 0.000 2.462 133 A HA 0.188 4.508 4.320 0.000 0.000 0.243 133 A C 0.567 177.999 177.584 -0.253 0.000 1.076 133 A CA 0.051 52.002 52.037 -0.145 0.000 0.773 133 A CB 0.658 19.784 19.000 0.211 0.000 1.010 133 A HN 0.882 nan 8.150 nan 0.000 0.493 134 S N -0.352 115.214 115.700 -0.224 0.000 2.458 134 S HA 0.061 4.531 4.470 0.000 0.000 0.223 134 S C 1.100 175.598 174.600 -0.170 0.000 1.019 134 S CA 1.151 59.237 58.200 -0.190 0.000 0.937 134 S CB -0.092 63.016 63.200 -0.153 0.000 0.788 134 S HN 1.097 nan 8.310 nan 0.000 0.511 135 T N -1.580 112.918 114.554 -0.094 0.000 2.864 135 T HA 0.619 4.969 4.350 0.000 0.000 0.289 135 T C -0.719 173.920 174.700 -0.103 0.000 1.082 135 T CA -0.794 61.252 62.100 -0.091 0.000 1.009 135 T CB 0.701 69.615 68.868 0.076 0.000 1.234 135 T HN 0.004 nan 8.240 nan 0.000 0.526 136 F N 2.640 122.677 119.950 0.145 0.000 2.541 136 F HA 0.373 4.900 4.527 0.000 0.000 0.351 136 F C 0.364 176.222 175.800 0.097 0.000 1.209 136 F CA -1.315 56.733 58.000 0.080 0.000 1.277 136 F CB -0.478 38.538 39.000 0.027 0.000 1.632 136 F HN 0.528 nan 8.300 nan 0.000 0.619 137 F N -0.489 119.563 119.950 0.169 0.000 2.375 137 F HA 0.592 5.119 4.527 0.000 0.000 0.313 137 F C -0.104 175.769 175.800 0.122 0.000 1.176 137 F CA -1.532 56.545 58.000 0.128 0.000 1.142 137 F CB 0.045 39.109 39.000 0.107 0.000 1.275 137 F HN -0.173 nan 8.300 nan 0.000 0.544 138 V N 3.793 123.822 119.914 0.192 0.000 2.409 138 V HA 0.175 4.295 4.120 0.000 0.000 0.270 138 V C 0.264 176.354 176.094 -0.007 0.000 1.019 138 V CA -0.138 62.203 62.300 0.067 0.000 1.066 138 V CB -1.334 30.561 31.823 0.120 0.000 1.021 138 V HN 0.867 nan 8.190 nan 0.000 0.476 139 R N 3.487 123.886 120.500 -0.169 0.000 2.836 139 R HA 0.529 4.869 4.340 0.000 0.000 0.269 139 R C -0.211 176.048 176.300 -0.069 0.000 1.010 139 R CA -1.000 55.017 56.100 -0.137 0.000 0.930 139 R CB 0.854 30.949 30.300 -0.341 0.000 1.218 139 R HN 0.446 nan 8.270 nan 0.000 0.473 140 N N -0.374 118.310 118.700 -0.027 0.000 2.708 140 N HA -0.209 4.531 4.740 0.000 0.000 0.249 140 N C 0.763 176.268 175.510 -0.009 0.000 1.097 140 N CA 1.742 54.783 53.050 -0.015 0.000 0.710 140 N CB -1.302 37.171 38.487 -0.023 0.000 1.032 140 N HN 1.147 nan 8.380 nan 0.000 0.551 141 G N -2.235 106.564 108.800 -0.002 0.000 2.176 141 G HA2 -0.326 3.634 3.960 0.000 0.000 0.253 141 G HA3 -0.326 3.634 3.960 0.000 0.000 0.253 141 G C 0.189 175.090 174.900 0.002 0.000 0.979 141 G CA 0.352 45.454 45.100 0.004 0.000 0.641 141 G HN 0.572 nan 8.290 nan 0.000 0.530 142 S N 0.383 116.078 115.700 -0.008 0.000 2.573 142 S HA 0.198 4.668 4.470 0.000 0.000 0.297 142 S C 0.578 175.176 174.600 -0.003 0.000 1.280 142 S CA 0.253 58.447 58.200 -0.010 0.000 1.061 142 S CB 0.567 63.754 63.200 -0.021 0.000 0.812 142 S HN 0.563 nan 8.310 nan 0.000 0.500 143 N N 3.828 122.521 118.700 -0.013 0.000 2.437 143 N HA 0.251 4.991 4.740 0.000 0.000 0.243 143 N C -1.542 173.963 175.510 -0.008 0.000 1.041 143 N CA -2.272 50.764 53.050 -0.023 0.000 0.940 143 N CB 1.069 39.516 38.487 -0.067 0.000 1.133 143 N HN 0.227 nan 8.380 nan 0.000 0.506 144 P HA -0.076 nan 4.420 nan 0.000 0.228 144 P C 0.241 177.573 177.300 0.053 0.000 1.151 144 P CA 0.971 64.096 63.100 0.042 0.000 0.770 144 P CB 0.509 32.246 31.700 0.063 0.000 0.786 145 E N -0.391 119.830 120.200 0.034 0.000 2.435 145 E HA -0.066 4.284 4.350 0.000 0.000 0.195 145 E C 0.787 177.418 176.600 0.051 0.000 1.029 145 E CA 0.402 56.849 56.400 0.078 0.000 0.865 145 E CB -0.013 29.698 29.700 0.017 0.000 0.833 145 E HN 0.295 nan 8.360 nan 0.000 0.510 146 Q N 2.243 122.037 119.800 -0.010 0.000 2.349 146 Q HA 0.041 4.381 4.340 0.000 0.000 0.254 146 Q C -0.877 175.143 176.000 0.034 0.000 0.980 146 Q CA -0.279 55.517 55.803 -0.011 0.000 0.924 146 Q CB 0.743 29.453 28.738 -0.046 0.000 1.209 146 Q HN -0.198 nan 8.270 nan 0.000 0.445 147 D N 6.036 126.475 120.400 0.066 0.000 2.412 147 D HA 0.012 4.652 4.640 0.000 0.000 0.257 147 D C -1.615 174.709 176.300 0.039 0.000 1.217 147 D CA -1.719 52.315 54.000 0.057 0.000 0.897 147 D CB 1.262 42.107 40.800 0.075 0.000 1.132 147 D HN 0.429 nan 8.370 nan 0.000 0.493 148 P HA -0.110 nan 4.420 nan 0.000 0.222 148 P C 1.211 178.520 177.300 0.014 0.000 1.147 148 P CA 0.851 63.956 63.100 0.009 0.000 0.790 148 P CB 0.292 31.985 31.700 -0.012 0.000 0.780 149 L N -1.439 119.795 121.223 0.018 0.000 2.607 149 L HA 0.198 4.538 4.340 0.000 0.000 0.228 149 L C 1.541 178.423 176.870 0.020 0.000 1.123 149 L CA 0.176 55.025 54.840 0.014 0.000 0.890 149 L CB -0.132 41.930 42.059 0.006 0.000 1.103 149 L HN -0.168 nan 8.230 nan 0.000 0.468 150 R N -0.195 120.327 120.500 0.036 0.000 2.727 150 R HA 0.215 4.555 4.340 0.000 0.000 0.410 150 R C -0.334 176.018 176.300 0.085 0.000 1.101 150 R CA -0.274 55.856 56.100 0.050 0.000 1.045 150 R CB 0.260 30.594 30.300 0.057 0.000 1.380 150 R HN 0.064 nan 8.270 nan 0.000 0.587 151 N N 0.529 119.259 118.700 0.050 0.000 2.485 151 N HA 0.365 5.105 4.740 0.000 0.000 0.280 151 N C -0.646 174.794 175.510 -0.117 0.000 1.205 151 N CA -0.569 52.496 53.050 0.025 0.000 0.959 151 N CB 1.093 39.597 38.487 0.029 0.000 1.206 151 N HN 0.074 nan 8.380 nan 0.000 0.545 152 L N 1.951 122.982 121.223 -0.320 0.000 2.599 152 L HA 0.200 4.540 4.340 0.000 0.000 0.241 152 L C 1.358 178.068 176.870 -0.267 0.000 1.207 152 L CA -0.221 54.307 54.840 -0.519 0.000 0.987 152 L CB 0.400 41.709 42.059 -1.250 0.000 1.318 152 L HN 0.666 nan 8.230 nan 0.000 0.458 153 S N -0.452 115.180 115.700 -0.112 0.000 2.400 153 S HA -0.148 4.323 4.470 0.000 0.000 0.232 153 S C 1.824 176.405 174.600 -0.031 0.000 1.025 153 S CA 1.272 59.450 58.200 -0.037 0.000 0.993 153 S CB -0.269 62.923 63.200 -0.014 0.000 0.808 153 S HN 0.611 nan 8.310 nan 0.000 0.478 154 G N 0.368 109.136 108.800 -0.053 0.000 2.650 154 G HA2 0.063 4.023 3.960 0.000 0.000 0.214 154 G HA3 0.063 4.023 3.960 0.000 0.000 0.214 154 G C 0.568 175.436 174.900 -0.053 0.000 1.136 154 G CA -0.122 44.953 45.100 -0.041 0.000 0.789 154 G HN 0.543 nan 8.290 nan 0.000 0.536 155 Q N 0.426 120.174 119.800 -0.087 0.000 2.395 155 Q HA 0.528 4.868 4.340 0.000 0.000 0.271 155 Q C -0.156 175.870 176.000 0.045 0.000 1.026 155 Q CA 0.650 56.428 55.803 -0.041 0.000 0.900 155 Q CB 0.912 29.608 28.738 -0.071 0.000 1.266 155 Q HN 0.338 nan 8.270 nan 0.000 0.430 156 A N 2.217 125.074 122.820 0.061 0.000 2.605 156 A HA 0.634 4.955 4.320 0.000 0.000 0.294 156 A C -1.464 176.182 177.584 0.102 0.000 1.062 156 A CA -0.208 51.874 52.037 0.074 0.000 0.682 156 A CB 0.843 19.863 19.000 0.034 0.000 1.278 156 A HN 0.882 nan 8.150 nan 0.000 0.410 157 V N -1.460 118.536 119.914 0.136 0.000 3.046 157 V HA 0.984 5.104 4.120 0.000 0.000 0.316 157 V C -0.377 175.804 176.094 0.145 0.000 1.104 157 V CA -0.537 61.870 62.300 0.179 0.000 1.006 157 V CB 1.740 33.746 31.823 0.306 0.000 1.058 157 V HN 0.970 nan 8.190 nan 0.000 0.440 158 T N 2.571 117.214 114.554 0.148 0.000 2.841 158 T HA 0.579 4.930 4.350 0.000 0.000 0.285 158 T C -0.378 174.376 174.700 0.089 0.000 0.991 158 T CA -0.476 61.699 62.100 0.124 0.000 0.966 158 T CB 1.184 70.172 68.868 0.199 0.000 0.962 158 T HN 0.774 nan 8.240 nan 0.000 0.438 159 R N 2.648 123.185 120.500 0.061 0.000 2.477 159 R HA 0.576 4.916 4.340 0.000 0.000 0.285 159 R C -0.716 175.604 176.300 0.034 0.000 1.415 159 R CA -0.532 55.576 56.100 0.014 0.000 1.446 159 R CB 0.704 30.990 30.300 -0.024 0.000 1.110 159 R HN 0.506 nan 8.270 nan 0.000 0.590 160 V N -2.071 117.867 119.914 0.039 0.000 3.147 160 V HA 0.472 4.592 4.120 0.000 0.000 0.306 160 V C 0.067 176.183 176.094 0.037 0.000 1.209 160 V CA -1.174 61.153 62.300 0.045 0.000 1.023 160 V CB 1.983 33.843 31.823 0.062 0.000 1.059 160 V HN 0.067 nan 8.190 nan 0.000 0.435 161 V N 2.851 122.788 119.914 0.039 0.000 2.585 161 V HA 0.539 4.659 4.120 0.000 0.000 0.296 161 V C 1.595 177.710 176.094 0.036 0.000 1.035 161 V CA 1.946 64.269 62.300 0.038 0.000 1.084 161 V CB 0.111 31.960 31.823 0.042 0.000 0.953 161 V HN 1.915 nan 8.190 nan 0.000 0.483 162 G N 3.258 112.073 108.800 0.026 0.000 2.278 162 G HA2 0.077 4.037 3.960 0.000 0.000 0.210 162 G HA3 0.077 4.037 3.960 0.000 0.000 0.210 162 G C 0.837 175.714 174.900 -0.038 0.000 1.000 162 G CA 0.015 45.118 45.100 0.005 0.000 0.635 162 G HN 2.121 nan 8.290 nan 0.000 0.495 166 T N -0.224 114.170 114.554 -0.267 0.000 3.065 166 T HA 0.204 4.554 4.350 0.000 0.000 0.252 166 T C 1.272 175.802 174.700 -0.284 0.000 1.099 166 T CA 0.982 62.981 62.100 -0.168 0.000 1.063 166 T CB -0.666 68.202 68.868 0.000 0.000 0.948 166 T HN 0.843 nan 8.240 nan 0.000 0.506 167 H N -1.971 117.020 119.070 -0.131 0.000 3.771 167 H HA 0.212 4.768 4.556 0.000 0.000 0.260 167 H C 0.456 175.971 175.328 0.312 0.000 1.158 167 H CA -0.988 55.120 56.048 0.100 0.000 1.170 167 H CB -0.449 29.361 29.762 0.081 0.000 1.539 167 H HN 0.478 nan 8.280 nan 0.000 0.634 168 W N 2.824 124.052 121.300 -0.120 0.000 2.112 168 W HA 0.324 4.984 4.660 0.000 0.000 0.349 168 W C 0.049 176.668 176.519 0.167 0.000 1.289 168 W CA -0.275 57.126 57.345 0.093 0.000 1.256 168 W CB 0.119 29.549 29.460 -0.049 0.000 1.148 168 W HN -0.194 nan 8.180 nan 0.000 0.590 169 T N 1.521 116.055 114.554 -0.033 0.000 3.055 169 T HA -0.040 4.310 4.350 0.000 0.000 0.265 169 T C 1.115 175.426 174.700 -0.648 0.000 1.111 169 T CA 1.512 63.443 62.100 -0.282 0.000 1.118 169 T CB -0.403 68.450 68.868 -0.024 0.000 0.909 169 T HN 0.707 nan 8.240 nan 0.000 0.501 170 C N 0.531 119.122 119.300 -1.181 0.000 4.912 170 C HA -0.109 4.351 4.460 0.000 0.000 0.241 170 C C 1.085 175.617 174.990 -0.763 0.000 1.248 170 C CA -0.834 57.241 59.018 -1.572 0.000 1.473 170 C CB -2.471 24.773 27.740 -0.826 0.000 1.735 170 C HN 0.765 nan 8.230 nan 0.000 0.666 171 A N 1.320 123.893 122.820 -0.413 0.000 2.491 171 A HA 0.496 4.817 4.320 0.000 0.000 0.261 171 A C 0.748 178.257 177.584 -0.126 0.000 1.101 171 A CA 1.399 53.332 52.037 -0.174 0.000 0.772 171 A CB 0.109 19.077 19.000 -0.054 0.000 1.043 171 A HN 1.389 nan 8.150 nan 0.000 0.501 172 T N 2.123 116.614 114.554 -0.105 0.000 3.226 172 T HA 0.567 4.917 4.350 0.000 0.000 0.378 172 T C -2.767 171.873 174.700 -0.101 0.000 1.380 172 T CA -1.514 60.548 62.100 -0.063 0.000 1.396 172 T CB 0.972 69.833 68.868 -0.011 0.000 1.044 172 T HN 0.458 nan 8.240 nan 0.000 0.586 173 P HA 0.468 nan 4.420 nan 0.000 0.278 173 P C -0.280 176.811 177.300 -0.349 0.000 1.258 173 P CA -0.795 62.188 63.100 -0.194 0.000 0.811 173 P CB 1.256 32.844 31.700 -0.186 0.000 1.063 174 R N 0.220 120.455 120.500 -0.441 0.000 2.531 174 R HA 0.435 4.775 4.340 0.000 0.000 0.273 174 R C -0.051 176.133 176.300 -0.193 0.000 1.070 174 R CA -0.459 55.197 56.100 -0.740 0.000 1.112 174 R CB 0.201 29.983 30.300 -0.863 0.000 1.049 174 R HN 0.361 nan 8.270 nan 0.000 0.508 175 F N 2.055 121.802 119.950 -0.338 0.000 2.396 175 F HA 0.080 4.607 4.527 0.000 0.000 0.343 175 F C 0.774 176.430 175.800 -0.241 0.000 1.104 175 F CA -1.426 56.406 58.000 -0.280 0.000 1.161 175 F CB 0.568 39.406 39.000 -0.271 0.000 1.146 175 F HN 0.551 nan 8.300 nan 0.000 0.522 176 D N 2.521 122.843 120.400 -0.129 0.000 2.451 176 D HA 0.178 4.818 4.640 0.000 0.000 0.259 176 D C 1.153 177.353 176.300 -0.168 0.000 1.201 176 D CA -0.502 53.431 54.000 -0.111 0.000 1.028 176 D CB 0.520 41.278 40.800 -0.070 0.000 1.095 176 D HN 0.432 nan 8.370 nan 0.000 0.539 177 R N -0.435 119.991 120.500 -0.123 0.000 2.119 177 R HA -0.212 4.128 4.340 0.000 0.000 0.246 177 R C 1.980 178.202 176.300 -0.131 0.000 1.146 177 R CA 1.852 57.874 56.100 -0.130 0.000 0.962 177 R CB -0.240 30.021 30.300 -0.064 0.000 0.863 177 R HN 0.657 nan 8.270 nan 0.000 0.442 178 E N 0.234 120.372 120.200 -0.103 0.000 2.265 178 E HA -0.207 4.143 4.350 0.000 0.000 0.196 178 E C 1.402 177.903 176.600 -0.164 0.000 0.996 178 E CA 1.093 57.449 56.400 -0.073 0.000 0.832 178 E CB 0.238 29.966 29.700 0.046 0.000 0.756 178 E HN 0.414 nan 8.360 nan 0.000 0.491 179 Q N -0.444 119.173 119.800 -0.305 0.000 2.281 179 Q HA 0.083 4.423 4.340 0.000 0.000 0.215 179 Q C -0.221 175.598 176.000 -0.302 0.000 0.867 179 Q CA -0.095 55.422 55.803 -0.475 0.000 0.940 179 Q CB 0.793 28.938 28.738 -0.988 0.000 1.111 179 Q HN 0.071 nan 8.270 nan 0.000 0.513 180 R N 0.809 121.173 120.500 -0.226 0.000 2.670 180 R HA 0.505 4.845 4.340 0.000 0.000 0.289 180 R C -2.841 173.368 176.300 -0.153 0.000 0.965 180 R CA -2.076 53.891 56.100 -0.223 0.000 0.899 180 R CB 0.470 30.374 30.300 -0.661 0.000 1.173 180 R HN -0.272 nan 8.270 nan 0.000 0.456 181 P HA -0.038 nan 4.420 nan 0.000 0.265 181 P C -0.354 177.068 177.300 0.202 0.000 1.193 181 P CA -0.297 62.867 63.100 0.106 0.000 0.765 181 P CB 0.497 32.288 31.700 0.152 0.000 0.823 182 L N 4.052 125.407 121.223 0.220 0.000 2.513 182 L HA 0.045 4.385 4.340 0.000 0.000 0.272 182 L C 1.831 178.964 176.870 0.438 0.000 1.187 182 L CA 0.487 55.553 54.840 0.377 0.000 0.895 182 L CB -0.264 42.079 42.059 0.473 0.000 1.147 182 L HN 0.500 nan 8.230 nan 0.000 0.483 183 L N 3.756 125.300 121.223 0.534 0.000 2.354 183 L HA 0.125 4.465 4.340 0.000 0.000 0.212 183 L C 0.177 177.296 176.870 0.415 0.000 1.091 183 L CA 0.481 55.510 54.840 0.316 0.000 0.828 183 L CB 0.513 42.614 42.059 0.071 0.000 0.973 183 L HN 0.347 nan 8.230 nan 0.000 0.461 184 V N -0.098 120.059 119.914 0.405 0.000 2.588 184 V HA 0.260 4.380 4.120 0.000 0.000 0.304 184 V C -0.164 176.025 176.094 0.157 0.000 1.042 184 V CA -1.097 61.357 62.300 0.257 0.000 0.877 184 V CB 2.076 33.986 31.823 0.146 0.000 0.996 184 V HN 0.022 nan 8.190 nan 0.000 0.425 185 K N 2.273 122.620 120.400 -0.088 0.000 2.270 185 K HA 0.224 4.544 4.320 0.000 0.000 0.276 185 K C 0.202 176.755 176.600 -0.077 0.000 1.023 185 K CA 0.000 56.164 56.287 -0.205 0.000 0.955 185 K CB 0.361 32.584 32.500 -0.462 0.000 0.975 185 K HN 0.845 nan 8.250 nan 0.000 0.471 186 D N 1.114 121.486 120.400 -0.046 0.000 3.070 186 D HA -0.214 4.427 4.640 0.000 0.000 0.220 186 D C -0.571 175.729 176.300 -0.000 0.000 1.176 186 D CA 1.330 55.316 54.000 -0.024 0.000 0.924 186 D CB -0.516 40.258 40.800 -0.042 0.000 1.124 186 D HN 0.572 nan 8.370 nan 0.000 0.411 187 D N -0.811 119.600 120.400 0.018 0.000 2.405 187 D HA 0.529 5.169 4.640 0.000 0.000 0.264 187 D C 1.059 177.390 176.300 0.051 0.000 1.240 187 D CA 0.188 54.206 54.000 0.030 0.000 0.893 187 D CB 0.604 41.421 40.800 0.028 0.000 1.198 187 D HN 0.012 nan 8.370 nan 0.000 0.514 188 A N 2.592 125.439 122.820 0.045 0.000 1.940 188 A HA -0.192 4.128 4.320 0.000 0.000 0.219 188 A C 1.718 179.340 177.584 0.063 0.000 1.176 188 A CA 1.400 53.469 52.037 0.054 0.000 0.631 188 A CB -0.017 19.006 19.000 0.037 0.000 0.814 188 A HN 0.437 nan 8.150 nan 0.000 0.446 189 D N -0.175 120.257 120.400 0.053 0.000 2.123 189 D HA 0.003 4.643 4.640 0.000 0.000 0.200 189 D C 2.331 178.673 176.300 0.070 0.000 0.976 189 D CA 1.394 55.428 54.000 0.056 0.000 0.831 189 D CB -0.484 40.341 40.800 0.042 0.000 0.974 189 D HN 0.397 nan 8.370 nan 0.000 0.469 190 A N 1.076 123.935 122.820 0.065 0.000 1.892 190 A HA -0.268 4.052 4.320 0.000 0.000 0.218 190 A C 1.991 179.643 177.584 0.114 0.000 1.188 190 A CA 2.364 54.444 52.037 0.072 0.000 0.631 190 A CB -0.818 18.217 19.000 0.059 0.000 0.822 190 A HN 0.257 nan 8.150 nan 0.000 0.447 191 D N -0.697 119.793 120.400 0.150 0.000 2.117 191 D HA -0.156 4.484 4.640 0.000 0.000 0.197 191 D C 1.312 177.812 176.300 0.334 0.000 0.987 191 D CA 1.508 55.665 54.000 0.263 0.000 0.829 191 D CB -0.126 40.822 40.800 0.247 0.000 0.961 191 D HN 0.379 nan 8.370 nan 0.000 0.460 192 D N -0.020 120.499 120.400 0.199 0.000 2.104 192 D HA -0.153 4.487 4.640 0.000 0.000 0.194 192 D C 2.038 178.451 176.300 0.188 0.000 0.994 192 D CA 1.570 55.680 54.000 0.184 0.000 0.830 192 D CB -0.649 40.216 40.800 0.109 0.000 0.959 192 D HN 0.342 nan 8.370 nan 0.000 0.452 193 A N 0.772 123.669 122.820 0.128 0.000 1.858 193 A HA -0.216 4.104 4.320 0.000 0.000 0.216 193 A C 2.154 179.775 177.584 0.061 0.000 1.190 193 A CA 2.061 54.150 52.037 0.086 0.000 0.617 193 A CB -0.779 18.256 19.000 0.058 0.000 0.827 193 A HN 0.244 nan 8.150 nan 0.000 0.443 194 E N -1.196 119.031 120.200 0.046 0.000 2.147 194 E HA -0.254 4.097 4.350 0.000 0.000 0.199 194 E C 1.597 178.129 176.600 -0.112 0.000 1.005 194 E CA 1.830 58.198 56.400 -0.054 0.000 0.810 194 E CB -0.373 29.279 29.700 -0.080 0.000 0.736 194 E HN 0.770 nan 8.360 nan 0.000 0.460 195 W N -0.058 121.185 121.300 -0.096 0.000 2.658 195 W HA 0.078 4.738 4.660 0.000 0.000 0.263 195 W C 1.864 178.284 176.519 -0.166 0.000 1.274 195 W CA 0.718 57.938 57.345 -0.208 0.000 1.343 195 W CB 0.083 29.457 29.460 -0.142 0.000 1.106 195 W HN 0.211 nan 8.180 nan 0.000 0.615 196 D N -0.054 120.486 120.400 0.234 0.000 2.123 196 D HA -0.155 4.485 4.640 0.000 0.000 0.200 196 D C 2.114 178.474 176.300 0.100 0.000 0.976 196 D CA 1.235 55.362 54.000 0.211 0.000 0.831 196 D CB -0.027 40.867 40.800 0.157 0.000 0.974 196 D HN -0.109 nan 8.370 nan 0.000 0.469 197 R N -0.444 120.064 120.500 0.014 0.000 2.136 197 R HA -0.160 4.180 4.340 0.000 0.000 0.242 197 R C 2.330 178.572 176.300 -0.097 0.000 1.131 197 R CA 1.841 57.909 56.100 -0.053 0.000 0.937 197 R CB -0.361 29.881 30.300 -0.096 0.000 0.863 197 R HN 0.277 nan 8.270 nan 0.000 0.435 198 L N -1.411 119.696 121.223 -0.193 0.000 2.209 198 L HA -0.068 4.272 4.340 0.000 0.000 0.207 198 L C 2.158 178.910 176.870 -0.198 0.000 1.094 198 L CA 0.379 55.034 54.840 -0.307 0.000 0.790 198 L CB -0.375 41.363 42.059 -0.535 0.000 0.932 198 L HN 0.209 nan 8.230 nan 0.000 0.447 199 Y N 0.432 120.708 120.300 -0.041 0.000 2.207 199 Y HA -0.238 4.312 4.550 0.000 0.000 0.287 199 Y C 2.866 178.743 175.900 -0.039 0.000 1.156 199 Y CA 1.299 59.400 58.100 0.001 0.000 1.182 199 Y CB -1.191 37.316 38.460 0.079 0.000 0.979 199 Y HN 0.097 nan 8.280 nan 0.000 0.521 200 T N -0.596 114.027 114.554 0.115 0.000 2.857 200 T HA -0.151 4.200 4.350 0.000 0.000 0.266 200 T C 2.003 176.675 174.700 -0.046 0.000 1.048 200 T CA 1.484 63.609 62.100 0.041 0.000 1.139 200 T CB -0.067 68.815 68.868 0.024 0.000 0.874 200 T HN 0.221 nan 8.240 nan 0.000 0.455 201 K N 0.461 120.775 120.400 -0.143 0.000 2.243 201 K HA 0.200 4.520 4.320 0.000 0.000 0.201 201 K C 2.374 178.630 176.600 -0.573 0.000 1.051 201 K CA 0.676 56.763 56.287 -0.333 0.000 0.970 201 K CB -0.119 32.153 32.500 -0.380 0.000 0.755 201 K HN 0.231 nan 8.250 nan 0.000 0.465 202 A N 1.254 123.868 122.820 -0.344 0.000 1.930 202 A HA -0.153 4.167 4.320 0.000 0.000 0.217 202 A C 1.716 179.305 177.584 0.009 0.000 1.175 202 A CA 1.490 53.404 52.037 -0.204 0.000 0.627 202 A CB -0.321 18.676 19.000 -0.004 0.000 0.815 202 A HN 0.403 nan 8.150 nan 0.000 0.443 203 E N -0.755 119.482 120.200 0.063 0.000 2.216 203 E HA -0.071 4.279 4.350 0.000 0.000 0.192 203 E C 2.162 178.855 176.600 0.155 0.000 0.988 203 E CA 0.766 57.258 56.400 0.154 0.000 0.834 203 E CB -0.047 29.712 29.700 0.098 0.000 0.772 203 E HN 0.568 nan 8.360 nan 0.000 0.479 204 S N -0.217 115.532 115.700 0.083 0.000 2.348 204 S HA -0.162 4.308 4.470 0.000 0.000 0.221 204 S C 1.739 176.483 174.600 0.240 0.000 1.033 204 S CA 0.965 59.237 58.200 0.119 0.000 1.010 204 S CB -0.199 63.038 63.200 0.062 0.000 0.891 204 S HN 0.288 nan 8.310 nan 0.000 0.442 205 Y N 0.377 120.692 120.300 0.025 0.000 2.256 205 Y HA 0.010 4.560 4.550 0.000 0.000 0.288 205 Y C 1.984 177.905 175.900 0.035 0.000 1.155 205 Y CA 0.296 58.368 58.100 -0.047 0.000 1.203 205 Y CB -0.992 37.353 38.460 -0.192 0.000 0.980 205 Y HN 0.396 nan 8.280 nan 0.000 0.530 206 F N -0.028 120.065 119.950 0.238 0.000 2.789 206 F HA -0.021 4.506 4.527 0.000 0.000 0.300 206 F C 0.535 176.439 175.800 0.172 0.000 1.132 206 F CA -0.026 58.106 58.000 0.219 0.000 1.404 206 F CB 0.301 39.448 39.000 0.245 0.000 1.114 206 F HN -0.099 nan 8.300 nan 0.000 0.584 207 Q N 0.956 120.942 119.800 0.310 0.000 2.460 207 Q HA -0.170 4.170 4.340 0.000 0.000 0.311 207 Q C -0.201 175.882 176.000 0.139 0.000 1.396 207 Q CA 0.664 56.575 55.803 0.180 0.000 0.838 207 Q CB -2.525 26.297 28.738 0.139 0.000 1.140 207 Q HN 0.162 nan 8.270 nan 0.000 0.415 208 T N 0.077 114.724 114.554 0.154 0.000 2.870 208 T HA 0.528 4.878 4.350 0.000 0.000 0.300 208 T C 0.732 175.462 174.700 0.049 0.000 0.989 208 T CA 0.510 62.669 62.100 0.099 0.000 1.139 208 T CB 1.416 70.355 68.868 0.119 0.000 0.920 208 T HN 0.499 nan 8.240 nan 0.000 0.537 209 G N 0.793 109.606 108.800 0.023 0.000 2.677 209 G HA2 0.534 4.494 3.960 0.000 0.000 0.291 209 G HA3 0.534 4.494 3.960 0.000 0.000 0.291 209 G C -0.032 174.877 174.900 0.015 0.000 1.435 209 G CA -0.652 44.453 45.100 0.010 0.000 0.826 209 G HN 0.613 nan 8.290 nan 0.000 0.491 210 T N -2.119 112.446 114.554 0.018 0.000 3.393 210 T HA 0.293 4.643 4.350 0.000 0.000 0.298 210 T C 0.040 174.760 174.700 0.033 0.000 1.004 210 T CA 0.408 62.531 62.100 0.038 0.000 0.956 210 T CB 0.330 69.226 68.868 0.047 0.000 1.182 210 T HN 0.533 nan 8.240 nan 0.000 0.497 211 D N 0.147 120.544 120.400 -0.004 0.000 2.527 211 D HA 0.072 4.713 4.640 0.000 0.000 0.224 211 D C 1.173 177.409 176.300 -0.107 0.000 1.217 211 D CA -0.148 53.829 54.000 -0.037 0.000 0.819 211 D CB 0.086 40.861 40.800 -0.042 0.000 1.061 211 D HN 0.289 nan 8.370 nan 0.000 0.515 212 Q N -0.445 119.281 119.800 -0.123 0.000 2.297 212 Q HA 0.162 4.502 4.340 0.000 0.000 0.204 212 Q C 0.311 175.970 176.000 -0.568 0.000 0.962 212 Q CA 0.973 56.579 55.803 -0.328 0.000 0.879 212 Q CB -0.133 28.388 28.738 -0.361 0.000 0.947 212 Q HN 0.263 nan 8.270 nan 0.000 0.462 213 F N -0.017 119.765 119.950 -0.280 0.000 2.764 213 F HA 0.235 4.762 4.527 0.000 0.000 0.310 213 F C 1.220 176.790 175.800 -0.384 0.000 1.124 213 F CA -0.547 57.239 58.000 -0.356 0.000 1.252 213 F CB 0.407 39.139 39.000 -0.446 0.000 1.010 213 F HN -0.020 nan 8.300 nan 0.000 0.518 214 K N 0.277 120.583 120.400 -0.157 0.000 2.283 214 K HA -0.080 4.240 4.320 0.000 0.000 0.202 214 K C 0.770 177.305 176.600 -0.108 0.000 1.048 214 K CA 1.507 57.758 56.287 -0.060 0.000 0.948 214 K CB -0.144 32.322 32.500 -0.056 0.000 0.742 214 K HN 0.300 nan 8.250 nan 0.000 0.458 215 E N 1.575 121.613 120.200 -0.270 0.000 2.465 215 E HA 0.001 4.351 4.350 0.000 0.000 0.191 215 E C -0.176 176.332 176.600 -0.154 0.000 1.053 215 E CA -0.081 56.009 56.400 -0.516 0.000 0.869 215 E CB 0.613 29.992 29.700 -0.535 0.000 0.977 215 E HN 0.232 nan 8.360 nan 0.000 0.483 216 S N 1.384 117.111 115.700 0.046 0.000 2.474 216 S HA 0.099 4.569 4.470 0.000 0.000 0.276 216 S C 1.180 175.892 174.600 0.187 0.000 1.227 216 S CA -0.548 57.728 58.200 0.127 0.000 1.050 216 S CB 0.530 63.841 63.200 0.185 0.000 0.939 216 S HN 0.303 nan 8.310 nan 0.000 0.490 217 I N 4.887 125.452 120.570 -0.008 0.000 2.286 217 I HA -0.077 4.093 4.170 0.000 0.000 0.248 217 I C 2.143 178.118 176.117 -0.236 0.000 1.115 217 I CA 1.234 62.295 61.300 -0.400 0.000 1.392 217 I CB -0.165 37.190 38.000 -1.075 0.000 1.065 217 I HN 0.644 nan 8.210 nan 0.000 0.418 218 R N -0.449 119.997 120.500 -0.089 0.000 2.090 218 R HA -0.136 4.204 4.340 0.000 0.000 0.228 218 R C 2.383 178.718 176.300 0.058 0.000 1.110 218 R CA 1.509 57.592 56.100 -0.028 0.000 0.973 218 R CB -0.842 29.450 30.300 -0.012 0.000 0.869 218 R HN 0.551 nan 8.270 nan 0.000 0.440 219 H N 1.294 120.381 119.070 0.028 0.000 2.289 219 H HA -0.093 4.464 4.556 0.000 0.000 0.296 219 H C 1.757 177.143 175.328 0.096 0.000 1.091 219 H CA 2.029 58.111 56.048 0.056 0.000 1.274 219 H CB -0.033 29.796 29.762 0.110 0.000 1.364 219 H HN 0.113 nan 8.280 nan 0.000 0.490 220 N N -0.179 118.645 118.700 0.207 0.000 2.300 220 N HA -0.101 4.639 4.740 0.000 0.000 0.179 220 N C 2.017 177.651 175.510 0.207 0.000 1.016 220 N CA 0.855 54.047 53.050 0.236 0.000 0.876 220 N CB -0.073 38.720 38.487 0.511 0.000 0.979 220 N HN 0.314 nan 8.380 nan 0.000 0.432 221 L N 1.402 122.767 121.223 0.237 0.000 2.012 221 L HA -0.120 4.221 4.340 0.000 0.000 0.210 221 L C 2.141 179.054 176.870 0.071 0.000 1.073 221 L CA 1.341 56.312 54.840 0.218 0.000 0.748 221 L CB -0.579 41.589 42.059 0.181 0.000 0.891 221 L HN -0.148 nan 8.230 nan 0.000 0.431 222 V N -0.475 119.438 119.914 -0.002 0.000 2.287 222 V HA -0.298 3.823 4.120 0.000 0.000 0.248 222 V C 2.484 178.483 176.094 -0.158 0.000 1.053 222 V CA 1.950 64.207 62.300 -0.072 0.000 1.027 222 V CB -0.698 31.056 31.823 -0.115 0.000 0.646 222 V HN 0.534 nan 8.190 nan 0.000 0.447 223 L N 0.657 121.754 121.223 -0.211 0.000 2.017 223 L HA -0.160 4.181 4.340 0.000 0.000 0.208 223 L C 2.278 179.059 176.870 -0.148 0.000 1.073 223 L CA 2.053 56.752 54.840 -0.234 0.000 0.745 223 L CB -0.822 41.073 42.059 -0.274 0.000 0.894 223 L HN 0.312 nan 8.230 nan 0.000 0.432 224 N N -0.004 118.666 118.700 -0.050 0.000 2.069 224 N HA -0.229 4.511 4.740 0.000 0.000 0.191 224 N C 1.859 177.343 175.510 -0.043 0.000 1.031 224 N CA 1.452 54.493 53.050 -0.014 0.000 0.852 224 N CB -0.397 38.111 38.487 0.035 0.000 1.018 224 N HN 0.242 nan 8.380 nan 0.000 0.423 225 K N 1.340 121.714 120.400 -0.043 0.000 2.097 225 K HA 0.037 4.357 4.320 0.000 0.000 0.206 225 K C 1.945 178.499 176.600 -0.077 0.000 1.049 225 K CA 0.932 57.196 56.287 -0.038 0.000 0.933 225 K CB -0.442 32.055 32.500 -0.004 0.000 0.717 225 K HN 0.169 nan 8.250 nan 0.000 0.442 226 L N -0.297 120.799 121.223 -0.211 0.000 2.072 226 L HA -0.015 4.325 4.340 0.000 0.000 0.205 226 L C 2.461 179.151 176.870 -0.300 0.000 1.079 226 L CA 1.056 55.661 54.840 -0.392 0.000 0.752 226 L CB -0.648 40.755 42.059 -1.094 0.000 0.906 226 L HN 0.239 nan 8.230 nan 0.000 0.436 227 A N -0.115 122.552 122.820 -0.255 0.000 1.940 227 A HA -0.261 4.059 4.320 0.000 0.000 0.219 227 A C 2.278 179.931 177.584 0.115 0.000 1.176 227 A CA 1.942 54.025 52.037 0.076 0.000 0.631 227 A CB -0.488 18.556 19.000 0.074 0.000 0.814 227 A HN 0.498 nan 8.150 nan 0.000 0.446 228 E N -0.392 119.829 120.200 0.035 0.000 2.006 228 E HA -0.224 4.126 4.350 0.000 0.000 0.192 228 E C 1.793 178.412 176.600 0.031 0.000 0.993 228 E CA 1.209 57.626 56.400 0.028 0.000 0.808 228 E CB -0.235 29.461 29.700 -0.007 0.000 0.764 228 E HN 0.464 nan 8.360 nan 0.000 0.449 229 E N -0.199 120.002 120.200 0.001 0.000 2.147 229 E HA -0.208 4.142 4.350 0.000 0.000 0.199 229 E C 1.269 177.775 176.600 -0.156 0.000 1.005 229 E CA 1.294 57.634 56.400 -0.100 0.000 0.810 229 E CB -0.266 29.345 29.700 -0.148 0.000 0.736 229 E HN 0.505 nan 8.360 nan 0.000 0.460 230 Y N -0.175 120.193 120.300 0.113 0.000 2.636 230 Y HA 0.173 4.723 4.550 0.000 0.000 0.260 230 Y C 0.484 176.467 175.900 0.139 0.000 1.177 230 Y CA -0.677 57.526 58.100 0.171 0.000 1.209 230 Y CB 0.437 39.113 38.460 0.359 0.000 1.166 230 Y HN -0.242 nan 8.280 nan 0.000 0.531 231 K N 0.794 121.310 120.400 0.193 0.000 2.491 231 K HA 0.219 4.539 4.320 0.000 0.000 0.279 231 K C 1.234 177.903 176.600 0.116 0.000 1.026 231 K CA 1.403 57.774 56.287 0.140 0.000 1.070 231 K CB -0.112 32.437 32.500 0.081 0.000 0.887 231 K HN 0.490 nan 8.250 nan 0.000 0.481 232 G N 2.916 111.782 108.800 0.109 0.000 2.155 232 G HA2 -0.290 3.671 3.960 0.000 0.000 0.257 232 G HA3 -0.290 3.671 3.960 0.000 0.000 0.257 232 G C 0.517 175.473 174.900 0.092 0.000 0.983 232 G CA 0.752 45.902 45.100 0.084 0.000 0.676 232 G HN 0.685 nan 8.290 nan 0.000 0.528 233 Q N -1.849 118.028 119.800 0.129 0.000 2.445 233 Q HA 0.230 4.570 4.340 0.000 0.000 0.257 233 Q C 1.090 177.153 176.000 0.106 0.000 0.806 233 Q CA 0.055 55.940 55.803 0.136 0.000 0.987 233 Q CB 1.247 30.102 28.738 0.194 0.000 1.248 233 Q HN 0.461 nan 8.270 nan 0.000 0.542 234 R N 0.447 121.005 120.500 0.098 0.000 2.707 234 R HA 0.356 4.696 4.340 0.000 0.000 0.272 234 R C -1.755 174.511 176.300 -0.058 0.000 1.011 234 R CA -0.573 55.470 56.100 -0.095 0.000 0.893 234 R CB 1.860 31.904 30.300 -0.428 0.000 1.233 234 R HN -0.027 nan 8.270 nan 0.000 0.464 235 D N 1.572 121.860 120.400 -0.187 0.000 2.350 235 D HA 0.445 5.085 4.640 0.000 0.000 0.245 235 D C -0.874 175.298 176.300 -0.214 0.000 1.036 235 D CA -0.053 53.913 54.000 -0.056 0.000 0.848 235 D CB 1.741 42.537 40.800 -0.007 0.000 1.307 235 D HN 0.148 nan 8.370 nan 0.000 0.469 236 F N 0.626 120.578 119.950 0.004 0.000 2.577 236 F HA 0.398 4.925 4.527 0.000 0.000 0.318 236 F C 0.419 176.226 175.800 0.011 0.000 1.065 236 F CA -0.592 57.400 58.000 -0.014 0.000 0.929 236 F CB 2.129 41.116 39.000 -0.022 0.000 1.237 236 F HN 0.229 nan 8.300 nan 0.000 0.468 237 Q N 0.074 120.003 119.800 0.216 0.000 2.782 237 Q HA 0.317 4.658 4.340 0.000 0.000 0.308 237 Q C -1.721 174.384 176.000 0.175 0.000 0.883 237 Q CA -1.277 54.624 55.803 0.162 0.000 0.755 237 Q CB 1.857 30.662 28.738 0.112 0.000 1.454 237 Q HN 0.621 nan 8.270 nan 0.000 0.452 238 Q N 0.911 120.844 119.800 0.222 0.000 2.352 238 Q HA 0.281 4.621 4.340 0.000 0.000 0.260 238 Q C -0.574 175.497 176.000 0.117 0.000 0.976 238 Q CA -0.303 55.652 55.803 0.253 0.000 0.881 238 Q CB 0.588 29.456 28.738 0.216 0.000 1.235 238 Q HN 0.582 nan 8.270 nan 0.000 0.419 239 I N 6.284 126.895 120.570 0.069 0.000 2.741 239 I HA -0.038 4.132 4.170 0.000 0.000 0.288 239 I C -1.982 174.152 176.117 0.028 0.000 1.192 239 I CA -1.385 59.925 61.300 0.017 0.000 1.426 239 I CB 0.196 38.166 38.000 -0.051 0.000 1.367 239 I HN 0.470 nan 8.210 nan 0.000 0.563 240 P HA 0.233 nan 4.420 nan 0.000 0.268 240 P C -0.884 176.406 177.300 -0.016 0.000 1.204 240 P CA 0.130 63.233 63.100 0.005 0.000 0.768 240 P CB 0.500 32.191 31.700 -0.016 0.000 0.842 241 L N 2.101 123.319 121.223 -0.008 0.000 2.580 241 L HA 0.469 4.809 4.340 0.000 0.000 0.266 241 L C -0.338 176.515 176.870 -0.027 0.000 0.955 241 L CA -0.986 53.846 54.840 -0.014 0.000 0.886 241 L CB 2.026 44.148 42.059 0.106 0.000 1.263 241 L HN 0.288 nan 8.230 nan 0.000 0.406 242 A N 3.440 126.196 122.820 -0.106 0.000 2.539 242 A HA 0.778 5.098 4.320 0.000 0.000 0.306 242 A C 0.126 177.711 177.584 0.001 0.000 1.392 242 A CA 0.379 52.396 52.037 -0.033 0.000 1.060 242 A CB -0.071 18.877 19.000 -0.087 0.000 1.134 242 A HN 0.807 nan 8.150 nan 0.000 0.542 243 A N 2.014 124.795 122.820 -0.066 0.000 2.601 243 A HA 0.843 5.163 4.320 0.000 0.000 0.291 243 A C -0.508 176.924 177.584 -0.254 0.000 1.075 243 A CA -0.496 51.383 52.037 -0.264 0.000 0.671 243 A CB 1.013 19.616 19.000 -0.662 0.000 1.277 243 A HN 0.733 nan 8.150 nan 0.000 0.417 244 T N 0.932 115.290 114.554 -0.327 0.000 2.991 244 T HA 0.467 4.817 4.350 0.000 0.000 0.303 244 T C -0.443 174.082 174.700 -0.293 0.000 1.015 244 T CA -0.433 61.531 62.100 -0.226 0.000 1.007 244 T CB 1.323 70.124 68.868 -0.111 0.000 1.034 244 T HN 0.740 nan 8.240 nan 0.000 0.446 245 R N 2.196 122.525 120.500 -0.285 0.000 2.298 245 R HA 0.354 4.694 4.340 0.000 0.000 0.310 245 R C 0.762 176.971 176.300 -0.151 0.000 1.068 245 R CA -0.528 55.398 56.100 -0.289 0.000 0.957 245 R CB 0.418 30.516 30.300 -0.337 0.000 1.003 245 R HN 0.328 nan 8.270 nan 0.000 0.454 246 R N 1.057 121.520 120.500 -0.062 0.000 2.128 246 R HA 0.134 4.474 4.340 0.000 0.000 0.211 246 R C 0.286 176.567 176.300 -0.032 0.000 1.067 246 R CA 0.853 56.951 56.100 -0.004 0.000 1.010 246 R CB -0.116 30.248 30.300 0.107 0.000 0.922 246 R HN 0.758 nan 8.270 nan 0.000 0.457 247 S N -1.987 113.699 115.700 -0.024 0.000 2.611 247 S HA 0.375 4.845 4.470 0.000 0.000 0.268 247 S C -2.604 171.958 174.600 -0.062 0.000 1.156 247 S CA -1.118 57.058 58.200 -0.039 0.000 0.817 247 S CB 1.967 65.159 63.200 -0.013 0.000 1.122 247 S HN -0.229 nan 8.310 nan 0.000 0.466 248 P HA -0.018 nan 4.420 nan 0.000 0.220 248 P C 1.017 178.291 177.300 -0.044 0.000 1.144 248 P CA 1.891 64.947 63.100 -0.074 0.000 0.800 248 P CB -0.190 31.483 31.700 -0.046 0.000 0.772 249 T N -6.631 107.928 114.554 0.009 0.000 3.145 249 T HA 0.314 4.664 4.350 0.000 0.000 0.281 249 T C -0.261 174.506 174.700 0.111 0.000 1.003 249 T CA -0.418 61.711 62.100 0.047 0.000 0.901 249 T CB -0.666 68.246 68.868 0.072 0.000 1.112 249 T HN -0.106 nan 8.240 nan 0.000 0.535 250 F N 1.271 121.157 119.950 -0.107 0.000 2.573 250 F HA 0.641 5.168 4.527 0.000 0.000 0.316 250 F C -1.698 173.968 175.800 -0.224 0.000 1.148 250 F CA -0.999 56.932 58.000 -0.115 0.000 0.940 250 F CB 1.952 40.902 39.000 -0.082 0.000 1.214 250 F HN -0.104 nan 8.300 nan 0.000 0.448 251 V N 5.137 124.605 119.914 -0.742 0.000 2.448 251 V HA 0.273 4.393 4.120 0.000 0.000 0.295 251 V C -0.352 175.167 176.094 -0.957 0.000 1.025 251 V CA -0.837 60.968 62.300 -0.825 0.000 0.859 251 V CB 1.683 32.807 31.823 -1.163 0.000 0.988 251 V HN 0.726 nan 8.190 nan 0.000 0.431 252 E N 4.327 124.233 120.200 -0.489 0.000 2.003 252 E HA 0.130 4.480 4.350 0.000 0.000 0.279 252 E C -0.986 175.415 176.600 -0.331 0.000 1.132 252 E CA -0.396 55.857 56.400 -0.245 0.000 0.888 252 E CB 0.411 30.128 29.700 0.027 0.000 1.056 252 E HN 0.613 nan 8.360 nan 0.000 0.399 253 W N 2.303 123.473 121.300 -0.216 0.000 2.184 253 W HA 0.146 4.806 4.660 0.000 0.000 0.338 253 W C 0.589 177.095 176.519 -0.020 0.000 1.257 253 W CA -0.541 56.642 57.345 -0.269 0.000 1.243 253 W CB 0.933 29.956 29.460 -0.729 0.000 1.122 253 W HN 0.293 nan 8.180 nan 0.000 0.585 254 S N 0.889 116.806 115.700 0.362 0.000 2.713 254 S HA 0.766 5.236 4.470 0.000 0.000 0.283 254 S C -0.188 174.871 174.600 0.765 0.000 1.161 254 S CA -0.741 57.740 58.200 0.469 0.000 0.999 254 S CB 1.535 64.986 63.200 0.419 0.000 1.039 254 S HN 0.490 nan 8.310 nan 0.000 0.548 255 S N -0.515 115.570 115.700 0.642 0.000 2.683 255 S HA 0.666 5.136 4.470 0.000 0.000 0.269 255 S C 0.758 175.573 174.600 0.359 0.000 1.165 255 S CA -0.302 58.193 58.200 0.493 0.000 0.840 255 S CB 0.409 63.823 63.200 0.357 0.000 1.169 255 S HN 0.795 nan 8.310 nan 0.000 0.490 256 A N 1.736 124.654 122.820 0.163 0.000 1.903 256 A HA -0.231 4.089 4.320 0.000 0.000 0.219 256 A C 2.018 179.649 177.584 0.078 0.000 1.191 256 A CA 2.338 54.419 52.037 0.074 0.000 0.638 256 A CB -1.668 17.345 19.000 0.023 0.000 0.823 256 A HN 0.890 nan 8.150 nan 0.000 0.451 257 N N -0.813 117.944 118.700 0.094 0.000 2.149 257 N HA -0.163 4.577 4.740 0.000 0.000 0.188 257 N C 1.569 177.102 175.510 0.039 0.000 1.019 257 N CA 2.046 55.126 53.050 0.050 0.000 0.857 257 N CB -0.241 38.287 38.487 0.068 0.000 0.997 257 N HN 0.481 nan 8.380 nan 0.000 0.426 258 T N 0.432 115.058 114.554 0.120 0.000 2.788 258 T HA -0.065 4.285 4.350 0.000 0.000 0.268 258 T C 2.012 176.732 174.700 0.034 0.000 1.044 258 T CA 1.163 63.334 62.100 0.118 0.000 1.139 258 T CB -0.124 68.899 68.868 0.259 0.000 0.867 258 T HN 0.085 nan 8.240 nan 0.000 0.454 259 V N -0.727 119.185 119.914 -0.003 0.000 2.488 259 V HA 0.219 4.339 4.120 0.000 0.000 0.246 259 V C 0.400 176.437 176.094 -0.096 0.000 1.046 259 V CA 0.806 63.021 62.300 -0.141 0.000 1.053 259 V CB -0.335 31.341 31.823 -0.244 0.000 0.679 259 V HN 0.477 nan 8.190 nan 0.000 0.458 260 F N 1.127 120.937 119.950 -0.233 0.000 2.651 260 F HA 0.348 4.875 4.527 0.000 0.000 0.329 260 F C 0.165 175.837 175.800 -0.213 0.000 1.186 260 F CA -1.529 56.306 58.000 -0.276 0.000 1.046 260 F CB 1.271 40.058 39.000 -0.355 0.000 1.296 260 F HN 0.149 nan 8.300 nan 0.000 0.497 261 D N 5.067 125.062 120.400 -0.674 0.000 2.378 261 D HA -0.059 4.581 4.640 0.000 0.000 0.227 261 D C 1.113 177.166 176.300 -0.413 0.000 1.012 261 D CA 0.994 54.736 54.000 -0.430 0.000 0.905 261 D CB -0.097 40.484 40.800 -0.365 0.000 0.895 261 D HN 0.676 nan 8.370 nan 0.000 0.532 262 L N -1.715 119.126 121.223 -0.638 0.000 4.179 262 L HA -0.250 4.091 4.340 0.000 0.000 0.418 262 L C -0.269 176.580 176.870 -0.034 0.000 1.168 262 L CA 0.453 55.183 54.840 -0.184 0.000 0.972 262 L CB -1.427 40.658 42.059 0.043 0.000 2.005 262 L HN 0.264 nan 8.230 nan 0.000 0.935 263 Q N 0.772 120.452 119.800 -0.199 0.000 2.288 263 Q HA 0.274 4.614 4.340 0.000 0.000 0.254 263 Q C 0.380 176.434 176.000 0.090 0.000 0.932 263 Q CA -0.320 55.446 55.803 -0.063 0.000 0.902 263 Q CB 0.767 29.430 28.738 -0.124 0.000 1.203 263 Q HN 0.135 nan 8.270 nan 0.000 0.415 264 N N 2.022 120.780 118.700 0.097 0.000 2.412 264 N HA 0.036 4.776 4.740 0.000 0.000 0.254 264 N C -0.296 175.277 175.510 0.105 0.000 1.232 264 N CA 0.450 53.566 53.050 0.110 0.000 0.880 264 N CB 0.512 38.973 38.487 -0.043 0.000 1.076 264 N HN 0.227 nan 8.380 nan 0.000 0.458 265 R N 1.719 122.320 120.500 0.168 0.000 2.670 265 R HA 0.505 4.845 4.340 0.000 0.000 0.289 265 R C -2.389 173.989 176.300 0.130 0.000 0.965 265 R CA -1.547 54.632 56.100 0.132 0.000 0.899 265 R CB 1.738 32.138 30.300 0.167 0.000 1.173 265 R HN 0.368 nan 8.270 nan 0.000 0.456 266 P HA 0.249 nan 4.420 nan 0.000 0.281 266 P C -1.439 175.893 177.300 0.054 0.000 1.249 266 P CA -0.637 62.520 63.100 0.096 0.000 0.810 266 P CB 0.922 32.708 31.700 0.144 0.000 1.008 267 N N -1.695 117.019 118.700 0.023 0.000 2.853 267 N HA 0.278 5.018 4.740 0.000 0.000 0.258 267 N C 0.376 175.879 175.510 -0.012 0.000 1.444 267 N CA -0.767 52.285 53.050 0.003 0.000 0.837 267 N CB -0.411 38.069 38.487 -0.012 0.000 1.489 267 N HN 0.029 nan 8.380 nan 0.000 0.529 268 T N -0.904 113.640 114.554 -0.016 0.000 2.759 268 T HA -0.112 4.238 4.350 0.000 0.000 0.269 268 T C 0.339 175.020 174.700 -0.032 0.000 1.042 268 T CA 1.715 63.803 62.100 -0.020 0.000 1.140 268 T CB -0.494 68.362 68.868 -0.019 0.000 0.864 268 T HN 0.529 nan 8.240 nan 0.000 0.455 269 D N 1.355 121.730 120.400 -0.041 0.000 2.219 269 D HA 0.139 4.779 4.640 0.000 0.000 0.205 269 D C 0.890 177.157 176.300 -0.055 0.000 0.970 269 D CA 0.702 54.671 54.000 -0.052 0.000 0.851 269 D CB -0.003 40.756 40.800 -0.068 0.000 0.943 269 D HN 0.447 nan 8.370 nan 0.000 0.488 270 A N 0.521 123.310 122.820 -0.051 0.000 3.266 270 A HA 0.317 4.637 4.320 0.000 0.000 0.310 270 A C -1.933 175.620 177.584 -0.051 0.000 1.066 270 A CA -0.864 51.141 52.037 -0.052 0.000 0.839 270 A CB 0.880 19.852 19.000 -0.046 0.000 1.192 270 A HN -0.143 nan 8.150 nan 0.000 0.496 271 P HA -0.123 nan 4.420 nan 0.000 0.225 271 P C 0.419 177.619 177.300 -0.166 0.000 1.148 271 P CA 1.217 64.277 63.100 -0.066 0.000 0.779 271 P CB 0.451 32.117 31.700 -0.057 0.000 0.780 272 E N -0.375 119.682 120.200 -0.240 0.000 2.498 272 E HA 0.141 4.491 4.350 0.000 0.000 0.203 272 E C 0.314 176.727 176.600 -0.312 0.000 1.013 272 E CA 0.038 56.149 56.400 -0.482 0.000 0.927 272 E CB 0.533 29.976 29.700 -0.429 0.000 1.012 272 E HN 0.469 nan 8.360 nan 0.000 0.482 273 E N 1.068 121.204 120.200 -0.107 0.000 2.283 273 E HA 0.410 4.760 4.350 0.000 0.000 0.267 273 E C -0.305 176.365 176.600 0.116 0.000 1.045 273 E CA -0.346 56.062 56.400 0.013 0.000 0.884 273 E CB 1.226 30.951 29.700 0.041 0.000 1.106 273 E HN -0.169 nan 8.360 nan 0.000 0.408 274 R N 1.965 122.570 120.500 0.176 0.000 2.483 274 R HA 0.447 4.787 4.340 0.000 0.000 0.303 274 R C -1.661 174.800 176.300 0.269 0.000 0.987 274 R CA -0.555 55.678 56.100 0.222 0.000 0.881 274 R CB 0.999 31.442 30.300 0.238 0.000 1.177 274 R HN 0.410 nan 8.270 nan 0.000 0.451 275 F N 2.208 122.191 119.950 0.056 0.000 2.635 275 F HA 0.434 4.961 4.527 0.000 0.000 0.314 275 F C -1.817 173.924 175.800 -0.099 0.000 1.119 275 F CA -0.610 57.386 58.000 -0.008 0.000 1.000 275 F CB 1.979 41.035 39.000 0.094 0.000 1.278 275 F HN 0.417 nan 8.300 nan 0.000 0.446 276 N N 4.733 122.783 118.700 -1.082 0.000 2.352 276 N HA 0.596 5.336 4.740 0.000 0.000 0.291 276 N C -2.026 172.430 175.510 -1.756 0.000 1.040 276 N CA -0.637 51.691 53.050 -1.205 0.000 0.864 276 N CB 2.420 40.383 38.487 -0.873 0.000 1.440 276 N HN 0.621 nan 8.380 nan 0.000 0.483 277 L N 2.435 122.847 121.223 -1.351 0.000 2.296 277 L HA 0.669 5.010 4.340 0.000 0.000 0.286 277 L C -1.683 174.637 176.870 -0.917 0.000 1.023 277 L CA -0.293 53.978 54.840 -0.948 0.000 0.812 277 L CB 0.225 42.100 42.059 -0.308 0.000 1.223 277 L HN 0.431 nan 8.230 nan 0.000 0.421 278 F N 6.456 126.147 119.950 -0.432 0.000 2.359 278 F HA 0.570 5.098 4.527 0.000 0.000 0.369 278 F C -2.089 173.665 175.800 -0.077 0.000 1.084 278 F CA -2.085 55.769 58.000 -0.243 0.000 1.096 278 F CB 0.658 39.491 39.000 -0.280 0.000 1.335 278 F HN 0.423 nan 8.300 nan 0.000 0.457 279 P HA 0.287 nan 4.420 nan 0.000 0.277 279 P C 0.038 177.402 177.300 0.106 0.000 1.271 279 P CA -0.261 62.887 63.100 0.081 0.000 0.795 279 P CB 0.860 32.586 31.700 0.044 0.000 1.101 280 A N -1.685 121.179 122.820 0.074 0.000 2.783 280 A HA -0.102 4.218 4.320 0.000 0.000 0.292 280 A C -0.038 177.582 177.584 0.061 0.000 1.495 280 A CA 0.864 52.938 52.037 0.061 0.000 0.787 280 A CB -2.437 16.598 19.000 0.058 0.000 1.017 280 A HN 0.253 nan 8.150 nan 0.000 0.516 281 V N -0.331 119.635 119.914 0.087 0.000 2.409 281 V HA 0.651 4.771 4.120 0.000 0.000 0.290 281 V C 0.562 176.669 176.094 0.022 0.000 1.017 281 V CA -0.360 61.992 62.300 0.087 0.000 0.841 281 V CB 1.396 33.371 31.823 0.254 0.000 1.003 281 V HN 1.443 nan 8.190 nan 0.000 0.426 282 A N 4.084 126.893 122.820 -0.019 0.000 2.354 282 A HA 0.464 4.784 4.320 0.000 0.000 0.281 282 A C 0.137 177.697 177.584 -0.040 0.000 1.174 282 A CA -0.129 51.876 52.037 -0.053 0.000 0.828 282 A CB -0.024 18.981 19.000 0.008 0.000 1.099 282 A HN 0.863 nan 8.150 nan 0.000 0.516 283 C N 2.943 122.193 119.300 -0.083 0.000 2.325 283 C HA 0.357 4.818 4.460 0.000 0.000 0.347 283 C C 1.383 176.337 174.990 -0.060 0.000 1.263 283 C CA -0.245 58.714 59.018 -0.097 0.000 1.806 283 C CB -0.295 27.381 27.740 -0.108 0.000 2.405 283 C HN 1.050 nan 8.230 nan 0.000 0.537 284 E N 0.987 121.169 120.200 -0.029 0.000 2.206 284 E HA 0.081 4.431 4.350 0.000 0.000 0.195 284 E C 0.586 177.158 176.600 -0.048 0.000 0.935 284 E CA 0.366 56.751 56.400 -0.024 0.000 0.875 284 E CB 0.479 30.183 29.700 0.007 0.000 0.841 284 E HN 0.779 nan 8.360 nan 0.000 0.477 285 R N -0.148 120.330 120.500 -0.036 0.000 2.663 285 R HA 0.389 4.729 4.340 0.000 0.000 0.267 285 R C -0.966 175.297 176.300 -0.062 0.000 1.038 285 R CA -0.844 55.213 56.100 -0.072 0.000 0.886 285 R CB 1.004 31.230 30.300 -0.125 0.000 1.249 285 R HN -0.089 nan 8.270 nan 0.000 0.463 286 V N 0.011 119.880 119.914 -0.076 0.000 2.509 286 V HA 0.579 4.699 4.120 0.000 0.000 0.284 286 V C 0.042 176.080 176.094 -0.094 0.000 1.047 286 V CA -0.816 61.419 62.300 -0.108 0.000 0.952 286 V CB 1.526 33.256 31.823 -0.154 0.000 0.988 286 V HN 0.507 nan 8.190 nan 0.000 0.469 287 V N 5.546 125.398 119.914 -0.103 0.000 2.364 287 V HA 0.453 4.573 4.120 0.000 0.000 0.272 287 V C 0.573 176.650 176.094 -0.028 0.000 1.036 287 V CA -0.430 61.828 62.300 -0.070 0.000 0.880 287 V CB 0.685 32.497 31.823 -0.018 0.000 0.991 287 V HN 0.943 nan 8.190 nan 0.000 0.460 288 R N 3.691 124.193 120.500 0.003 0.000 2.459 288 R HA 0.329 4.669 4.340 0.000 0.000 0.281 288 R C 0.428 176.774 176.300 0.076 0.000 1.050 288 R CA -0.563 55.606 56.100 0.115 0.000 1.055 288 R CB 0.601 30.968 30.300 0.112 0.000 1.045 288 R HN 0.863 nan 8.270 nan 0.000 0.495 289 N N 1.446 120.206 118.700 0.099 0.000 2.399 289 N HA 0.011 4.751 4.740 0.000 0.000 0.250 289 N C 0.656 176.171 175.510 0.009 0.000 1.272 289 N CA 0.266 53.339 53.050 0.038 0.000 0.928 289 N CB 0.435 38.938 38.487 0.026 0.000 1.158 289 N HN 0.576 nan 8.380 nan 0.000 0.463 290 A N 0.353 123.170 122.820 -0.006 0.000 1.903 290 A HA -0.188 4.133 4.320 0.000 0.000 0.219 290 A C 1.935 179.498 177.584 -0.036 0.000 1.191 290 A CA 1.444 53.470 52.037 -0.018 0.000 0.638 290 A CB -0.777 18.214 19.000 -0.015 0.000 0.823 290 A HN 0.550 nan 8.150 nan 0.000 0.451 291 L N -0.571 120.618 121.223 -0.055 0.000 2.465 291 L HA 0.018 4.358 4.340 0.000 0.000 0.224 291 L C 0.305 177.080 176.870 -0.158 0.000 1.145 291 L CA 0.930 55.718 54.840 -0.088 0.000 0.834 291 L CB -1.314 40.694 42.059 -0.086 0.000 0.944 291 L HN 0.536 nan 8.230 nan 0.000 0.451 292 N N -0.305 118.286 118.700 -0.182 0.000 2.738 292 N HA -0.183 4.557 4.740 0.000 0.000 0.249 292 N C 0.814 175.615 175.510 -1.181 0.000 1.047 292 N CA 0.914 53.759 53.050 -0.341 0.000 0.707 292 N CB -1.200 37.245 38.487 -0.070 0.000 0.937 292 N HN 0.512 nan 8.380 nan 0.000 0.545 293 S N -1.899 113.214 115.700 -0.978 0.000 2.632 293 S HA 0.255 4.725 4.470 0.000 0.000 0.237 293 S C 0.201 174.424 174.600 -0.628 0.000 1.037 293 S CA -0.263 57.406 58.200 -0.885 0.000 1.009 293 S CB 1.751 64.751 63.200 -0.334 0.000 0.974 293 S HN 0.332 nan 8.310 nan 0.000 0.544 294 E N 0.892 120.900 120.200 -0.319 0.000 2.597 294 E HA 0.240 4.590 4.350 0.000 0.000 0.310 294 E C -1.739 175.070 176.600 0.348 0.000 0.970 294 E CA -0.519 56.019 56.400 0.229 0.000 0.819 294 E CB 1.396 31.166 29.700 0.117 0.000 1.267 294 E HN 0.088 nan 8.360 nan 0.000 0.411 295 I N 3.869 124.620 120.570 0.300 0.000 2.416 295 I HA 0.050 4.220 4.170 0.000 0.000 0.288 295 I C 1.424 177.502 176.117 -0.066 0.000 1.051 295 I CA 0.330 61.621 61.300 -0.016 0.000 1.375 295 I CB 0.853 38.614 38.000 -0.399 0.000 1.407 295 I HN 0.629 nan 8.210 nan 0.000 0.516 296 E N 3.685 123.859 120.200 -0.042 0.000 2.190 296 E HA 0.029 4.379 4.350 0.000 0.000 0.191 296 E C 0.383 177.024 176.600 0.068 0.000 0.978 296 E CA 0.555 56.983 56.400 0.047 0.000 0.839 296 E CB 0.439 30.175 29.700 0.060 0.000 0.787 296 E HN 0.755 nan 8.360 nan 0.000 0.473 297 S N -0.537 115.129 115.700 -0.057 0.000 2.643 297 S HA 0.515 4.985 4.470 0.000 0.000 0.270 297 S C -1.235 173.357 174.600 -0.013 0.000 1.166 297 S CA -1.037 57.205 58.200 0.069 0.000 0.815 297 S CB 1.516 64.807 63.200 0.150 0.000 1.139 297 S HN 0.027 nan 8.310 nan 0.000 0.472 298 L N 1.909 123.232 121.223 0.168 0.000 2.305 298 L HA 0.523 4.863 4.340 0.000 0.000 0.284 298 L C -0.715 176.210 176.870 0.092 0.000 1.013 298 L CA -0.166 54.737 54.840 0.105 0.000 0.819 298 L CB 0.892 43.035 42.059 0.141 0.000 1.227 298 L HN 0.877 nan 8.230 nan 0.000 0.417 299 H N 6.218 125.254 119.070 -0.058 0.000 2.620 299 H HA 0.465 5.021 4.556 0.000 0.000 0.313 299 H C -0.437 174.841 175.328 -0.083 0.000 1.075 299 H CA -0.212 55.806 56.048 -0.051 0.000 1.397 299 H CB 1.262 30.997 29.762 -0.045 0.000 1.446 299 H HN 0.676 nan 8.280 nan 0.000 0.493 300 I N 0.187 120.744 120.570 -0.021 0.000 2.785 300 I HA 0.338 4.508 4.170 0.000 0.000 0.302 300 I C -0.714 175.457 176.117 0.090 0.000 1.069 300 I CA -0.930 60.336 61.300 -0.058 0.000 1.045 300 I CB 2.932 40.765 38.000 -0.279 0.000 1.236 300 I HN 0.557 nan 8.210 nan 0.000 0.429 301 H N 3.513 122.573 119.070 -0.016 0.000 2.685 301 H HA 0.245 4.801 4.556 0.000 0.000 0.307 301 H C -1.364 174.002 175.328 0.062 0.000 1.017 301 H CA -0.642 55.423 56.048 0.028 0.000 1.237 301 H CB 1.297 31.078 29.762 0.032 0.000 1.409 301 H HN 0.803 nan 8.280 nan 0.000 0.488 302 D N 5.189 125.569 120.400 -0.033 0.000 2.358 302 D HA -0.013 4.627 4.640 0.000 0.000 0.258 302 D C 0.871 177.002 176.300 -0.282 0.000 1.223 302 D CA -0.092 53.873 54.000 -0.060 0.000 0.886 302 D CB 0.846 41.721 40.800 0.125 0.000 1.120 302 D HN 0.630 nan 8.370 nan 0.000 0.482 303 L N 4.076 125.169 121.223 -0.218 0.000 2.395 303 L HA -0.059 4.282 4.340 0.000 0.000 0.218 303 L C 1.743 178.563 176.870 -0.084 0.000 1.130 303 L CA 0.112 54.823 54.840 -0.214 0.000 0.826 303 L CB -0.113 41.917 42.059 -0.048 0.000 0.941 303 L HN 0.552 nan 8.230 nan 0.000 0.451 304 I N -0.643 119.907 120.570 -0.033 0.000 2.364 304 I HA -0.138 4.032 4.170 0.000 0.000 0.241 304 I C 2.764 178.887 176.117 0.011 0.000 1.082 304 I CA 1.636 62.939 61.300 0.006 0.000 1.401 304 I CB -1.247 36.769 38.000 0.027 0.000 1.126 304 I HN 0.267 nan 8.210 nan 0.000 0.429 305 S N 0.666 116.380 115.700 0.024 0.000 2.387 305 S HA 0.025 4.495 4.470 0.000 0.000 0.226 305 S C 1.854 176.475 174.600 0.034 0.000 1.026 305 S CA 1.128 59.355 58.200 0.044 0.000 0.972 305 S CB -0.229 63.025 63.200 0.089 0.000 0.814 305 S HN 0.644 nan 8.310 nan 0.000 0.477 306 G N 0.918 109.721 108.800 0.006 0.000 2.175 306 G HA2 -0.173 3.788 3.960 0.000 0.000 0.244 306 G HA3 -0.173 3.788 3.960 0.000 0.000 0.244 306 G C -0.325 174.648 174.900 0.122 0.000 0.982 306 G CA 0.137 45.274 45.100 0.061 0.000 0.641 306 G HN 0.564 nan 8.290 nan 0.000 0.527 307 D N 0.215 120.644 120.400 0.048 0.000 2.344 307 D HA 0.451 5.091 4.640 0.000 0.000 0.244 307 D C 0.681 176.931 176.300 -0.083 0.000 1.134 307 D CA 0.111 54.053 54.000 -0.095 0.000 0.930 307 D CB 0.611 41.262 40.800 -0.248 0.000 1.175 307 D HN 0.249 nan 8.370 nan 0.000 0.437 308 R N 1.475 121.799 120.500 -0.293 0.000 2.388 308 R HA 0.340 4.680 4.340 0.000 0.000 0.314 308 R C -0.677 175.374 176.300 -0.415 0.000 0.959 308 R CA -0.548 55.443 56.100 -0.183 0.000 0.851 308 R CB 0.781 31.029 30.300 -0.086 0.000 1.168 308 R HN 0.257 nan 8.270 nan 0.000 0.472 309 F N 0.534 120.420 119.950 -0.108 0.000 2.461 309 F HA 0.405 4.932 4.527 0.000 0.000 0.337 309 F C 0.611 176.249 175.800 -0.270 0.000 1.079 309 F CA -0.689 57.216 58.000 -0.158 0.000 1.032 309 F CB 1.141 40.066 39.000 -0.125 0.000 1.327 309 F HN 0.255 nan 8.300 nan 0.000 0.491 310 E N 1.323 121.520 120.200 -0.005 0.000 2.241 310 E HA 0.371 4.721 4.350 0.000 0.000 0.263 310 E C -1.673 174.934 176.600 0.011 0.000 0.882 310 E CA -0.510 55.811 56.400 -0.132 0.000 0.769 310 E CB 1.204 30.789 29.700 -0.192 0.000 1.185 310 E HN 0.307 nan 8.360 nan 0.000 0.415 311 I N 3.447 124.042 120.570 0.042 0.000 2.359 311 I HA 0.357 4.527 4.170 0.000 0.000 0.294 311 I C -0.054 176.180 176.117 0.196 0.000 0.987 311 I CA -0.756 60.615 61.300 0.119 0.000 1.225 311 I CB 1.255 39.349 38.000 0.156 0.000 1.366 311 I HN 0.420 nan 8.210 nan 0.000 0.466 312 K N 4.409 124.899 120.400 0.150 0.000 2.274 312 K HA 0.814 5.134 4.320 0.000 0.000 0.262 312 K C -1.093 175.561 176.600 0.091 0.000 0.961 312 K CA -0.296 56.089 56.287 0.162 0.000 0.833 312 K CB 1.757 34.316 32.500 0.098 0.000 1.102 312 K HN 0.845 nan 8.250 nan 0.000 0.436 313 A N 2.991 125.838 122.820 0.045 0.000 2.589 313 A HA 0.320 4.641 4.320 0.000 0.000 0.296 313 A C -0.672 176.730 177.584 -0.304 0.000 1.062 313 A CA -0.692 51.205 52.037 -0.234 0.000 0.686 313 A CB 1.148 19.797 19.000 -0.585 0.000 1.282 313 A HN 0.749 nan 8.150 nan 0.000 0.404 314 D N -0.133 120.135 120.400 -0.221 0.000 2.216 314 D HA 0.141 4.781 4.640 0.000 0.000 0.208 314 D C 0.263 176.413 176.300 -0.250 0.000 0.960 314 D CA 1.577 55.507 54.000 -0.115 0.000 0.861 314 D CB 0.554 41.316 40.800 -0.064 0.000 0.985 314 D HN 0.256 nan 8.370 nan 0.000 0.493 315 V N 1.083 120.752 119.914 -0.407 0.000 2.588 315 V HA 0.272 4.392 4.120 0.000 0.000 0.304 315 V C -1.234 174.640 176.094 -0.366 0.000 1.042 315 V CA -0.799 61.293 62.300 -0.347 0.000 0.877 315 V CB 1.702 33.227 31.823 -0.496 0.000 0.996 315 V HN -0.055 nan 8.190 nan 0.000 0.425 316 Y N 3.040 123.351 120.300 0.018 0.000 2.341 316 Y HA 0.712 5.262 4.550 0.000 0.000 0.338 316 Y C -0.118 175.777 175.900 -0.007 0.000 0.965 316 Y CA -0.971 57.129 58.100 0.001 0.000 1.108 316 Y CB 2.086 40.550 38.460 0.008 0.000 1.180 316 Y HN 0.337 nan 8.280 nan 0.000 0.458 317 V N 5.376 125.283 119.914 -0.012 0.000 2.531 317 V HA 0.432 4.553 4.120 0.000 0.000 0.301 317 V C -0.574 175.404 176.094 -0.193 0.000 1.034 317 V CA -0.951 61.221 62.300 -0.212 0.000 0.865 317 V CB 1.819 33.282 31.823 -0.599 0.000 0.995 317 V HN 0.583 nan 8.190 nan 0.000 0.424 318 L N 4.921 126.027 121.223 -0.196 0.000 2.294 318 L HA 0.581 4.921 4.340 0.000 0.000 0.283 318 L C 0.348 177.127 176.870 -0.152 0.000 1.015 318 L CA -0.242 54.502 54.840 -0.160 0.000 0.831 318 L CB 1.611 43.563 42.059 -0.179 0.000 1.217 318 L HN 0.806 nan 8.230 nan 0.000 0.420 319 T N -1.777 112.720 114.554 -0.095 0.000 3.483 319 T HA 0.373 4.723 4.350 0.000 0.000 0.258 319 T C 0.709 175.418 174.700 0.014 0.000 1.013 319 T CA -0.038 62.044 62.100 -0.029 0.000 1.078 319 T CB 1.000 69.854 68.868 -0.023 0.000 1.111 319 T HN 0.538 nan 8.240 nan 0.000 0.538 320 A N 0.697 123.532 122.820 0.025 0.000 2.307 320 A HA 0.782 5.102 4.320 0.000 0.000 0.218 320 A C 1.363 179.026 177.584 0.132 0.000 1.228 320 A CA 0.124 52.194 52.037 0.055 0.000 0.857 320 A CB -0.608 18.413 19.000 0.036 0.000 0.897 320 A HN 1.655 nan 8.150 nan 0.000 0.495 321 G N -2.728 106.158 108.800 0.143 0.000 2.555 321 G HA2 0.322 4.282 3.960 0.000 0.000 0.686 321 G HA3 0.322 4.282 3.960 0.000 0.000 0.686 321 G C 0.684 175.714 174.900 0.216 0.000 1.275 321 G CA -0.261 44.945 45.100 0.178 0.000 0.871 321 G HN 1.167 nan 8.290 nan 0.000 0.603 322 A N -0.683 122.252 122.820 0.191 0.000 1.898 322 A HA 0.242 4.562 4.320 0.000 0.000 0.216 322 A C 2.645 180.341 177.584 0.188 0.000 1.181 322 A CA 3.240 55.386 52.037 0.182 0.000 0.620 322 A CB -0.472 18.603 19.000 0.125 0.000 0.819 322 A HN 1.565 nan 8.150 nan 0.000 0.442 323 V N -0.835 119.151 119.914 0.121 0.000 2.346 323 V HA -0.200 3.920 4.120 0.000 0.000 0.244 323 V C 2.232 178.335 176.094 0.014 0.000 1.037 323 V CA 2.191 64.515 62.300 0.039 0.000 1.029 323 V CB -1.052 30.687 31.823 -0.140 0.000 0.663 323 V HN 0.726 nan 8.190 nan 0.000 0.454 324 H N -0.273 118.881 119.070 0.141 0.000 2.529 324 H HA -0.001 4.555 4.556 0.000 0.000 0.277 324 H C 2.195 177.520 175.328 -0.004 0.000 0.999 324 H CA 0.902 56.978 56.048 0.047 0.000 1.256 324 H CB 0.067 29.839 29.762 0.016 0.000 1.402 324 H HN 0.307 nan 8.280 nan 0.000 0.566 325 N N -0.457 118.322 118.700 0.132 0.000 2.188 325 N HA -0.092 4.648 4.740 0.000 0.000 0.184 325 N C 1.606 177.107 175.510 -0.014 0.000 1.018 325 N CA 1.475 54.532 53.050 0.012 0.000 0.858 325 N CB -0.176 38.297 38.487 -0.022 0.000 0.989 325 N HN 0.300 nan 8.380 nan 0.000 0.426 326 T N 0.387 115.017 114.554 0.127 0.000 2.896 326 T HA -0.090 4.260 4.350 0.000 0.000 0.263 326 T C 1.786 176.423 174.700 -0.105 0.000 1.050 326 T CA 0.711 62.916 62.100 0.174 0.000 1.140 326 T CB -0.002 69.115 68.868 0.416 0.000 0.877 326 T HN 0.314 nan 8.240 nan 0.000 0.457 327 Q N 0.469 120.031 119.800 -0.397 0.000 2.050 327 Q HA -0.061 4.279 4.340 0.000 0.000 0.202 327 Q C 2.313 178.001 176.000 -0.520 0.000 0.980 327 Q CA 1.145 56.298 55.803 -1.083 0.000 0.840 327 Q CB -0.282 28.027 28.738 -0.715 0.000 0.898 327 Q HN 0.436 nan 8.270 nan 0.000 0.424 328 L N 0.384 121.459 121.223 -0.247 0.000 2.012 328 L HA -0.235 4.106 4.340 0.000 0.000 0.210 328 L C 2.386 179.178 176.870 -0.131 0.000 1.073 328 L CA 1.204 55.950 54.840 -0.158 0.000 0.748 328 L CB -0.221 41.770 42.059 -0.113 0.000 0.891 328 L HN 0.310 nan 8.230 nan 0.000 0.431 329 L N -1.703 119.439 121.223 -0.134 0.000 2.017 329 L HA -0.240 4.100 4.340 0.000 0.000 0.208 329 L C 2.391 179.314 176.870 0.089 0.000 1.073 329 L CA 0.982 55.780 54.840 -0.070 0.000 0.745 329 L CB -0.454 41.489 42.059 -0.195 0.000 0.894 329 L HN 0.077 nan 8.230 nan 0.000 0.432 330 V N -0.131 119.777 119.914 -0.010 0.000 2.515 330 V HA -0.259 3.861 4.120 0.000 0.000 0.250 330 V C 2.019 178.102 176.094 -0.017 0.000 1.058 330 V CA 1.868 64.189 62.300 0.034 0.000 1.064 330 V CB -0.636 31.222 31.823 0.057 0.000 0.675 330 V HN 0.492 nan 8.190 nan 0.000 0.461 331 N N -0.227 118.413 118.700 -0.100 0.000 2.550 331 N HA -0.072 4.668 4.740 0.000 0.000 0.186 331 N C 1.442 176.918 175.510 -0.055 0.000 1.110 331 N CA 0.901 53.899 53.050 -0.085 0.000 0.912 331 N CB 0.035 38.450 38.487 -0.119 0.000 0.968 331 N HN 0.358 nan 8.380 nan 0.000 0.448 332 S N -1.497 114.200 115.700 -0.005 0.000 2.554 332 S HA 0.337 4.807 4.470 0.000 0.000 0.226 332 S C 1.003 175.565 174.600 -0.063 0.000 0.980 332 S CA 0.179 58.378 58.200 -0.002 0.000 0.939 332 S CB 0.624 63.883 63.200 0.099 0.000 0.832 332 S HN 0.510 nan 8.310 nan 0.000 0.486 333 G N 1.152 109.918 108.800 -0.057 0.000 2.157 333 G HA2 -0.235 3.725 3.960 0.000 0.000 0.239 333 G HA3 -0.235 3.725 3.960 0.000 0.000 0.239 333 G C -0.070 174.687 174.900 -0.237 0.000 0.982 333 G CA -0.467 44.543 45.100 -0.149 0.000 0.650 333 G HN 0.425 nan 8.290 nan 0.000 0.527 334 F N 0.772 120.698 119.950 -0.040 0.000 2.371 334 F HA 0.558 5.086 4.527 0.000 0.000 0.329 334 F C 1.623 177.441 175.800 0.030 0.000 1.107 334 F CA 0.889 58.879 58.000 -0.017 0.000 1.137 334 F CB 0.990 39.953 39.000 -0.062 0.000 1.214 334 F HN 0.744 nan 8.300 nan 0.000 0.536 335 G N 1.686 110.634 108.800 0.247 0.000 2.582 335 G HA2 -0.295 3.665 3.960 0.000 0.000 0.288 335 G HA3 -0.295 3.665 3.960 0.000 0.000 0.288 335 G C -0.719 174.260 174.900 0.132 0.000 1.247 335 G CA 0.053 45.266 45.100 0.187 0.000 0.972 335 G HN 0.817 nan 8.290 nan 0.000 0.557 336 Q N -0.931 118.953 119.800 0.140 0.000 2.285 336 Q HA 0.613 4.953 4.340 0.000 0.000 0.269 336 Q C -0.943 175.144 176.000 0.145 0.000 1.030 336 Q CA -0.979 54.886 55.803 0.103 0.000 0.788 336 Q CB 1.744 30.519 28.738 0.061 0.000 1.266 336 Q HN 0.853 nan 8.270 nan 0.000 0.438 337 L N 3.582 124.881 121.223 0.125 0.000 2.395 337 L HA 0.772 5.112 4.340 0.000 0.000 0.269 337 L C 0.319 177.277 176.870 0.147 0.000 1.133 337 L CA 1.717 56.657 54.840 0.167 0.000 0.812 337 L CB 1.071 43.201 42.059 0.118 0.000 1.125 337 L HN 0.841 nan 8.230 nan 0.000 0.452 338 G N 3.432 112.375 108.800 0.239 0.000 2.760 338 G HA2 -0.238 3.722 3.960 0.000 0.000 0.246 338 G HA3 -0.238 3.722 3.960 0.000 0.000 0.246 338 G C -0.469 174.419 174.900 -0.021 0.000 1.359 338 G CA -0.145 45.074 45.100 0.199 0.000 0.861 338 G HN 0.972 nan 8.290 nan 0.000 0.541 339 R N 0.720 121.001 120.500 -0.365 0.000 2.538 339 R HA 0.311 4.651 4.340 0.000 0.000 0.282 339 R C -1.908 174.000 176.300 -0.653 0.000 1.009 339 R CA -0.392 55.063 56.100 -1.075 0.000 1.063 339 R CB -0.057 29.831 30.300 -0.687 0.000 0.945 339 R HN 0.343 nan 8.270 nan 0.000 0.414 340 P HA -0.022 nan 4.420 nan 0.000 0.264 340 P C -1.421 175.721 177.300 -0.264 0.000 1.193 340 P CA 0.351 63.214 63.100 -0.395 0.000 0.763 340 P CB 0.369 31.835 31.700 -0.389 0.000 0.810 341 N N 2.407 121.010 118.700 -0.162 0.000 2.533 341 N HA 0.359 5.099 4.740 0.000 0.000 0.289 341 N C -2.470 172.997 175.510 -0.073 0.000 1.103 341 N CA -1.708 51.273 53.050 -0.114 0.000 0.877 341 N CB 1.751 40.176 38.487 -0.102 0.000 1.419 341 N HN 0.016 nan 8.380 nan 0.000 0.517 342 P HA 0.015 nan 4.420 nan 0.000 0.245 342 P C 1.070 178.353 177.300 -0.029 0.000 1.206 342 P CA 0.570 63.645 63.100 -0.042 0.000 0.781 342 P CB 0.276 31.949 31.700 -0.044 0.000 0.994 343 T N -4.975 109.560 114.554 -0.033 0.000 3.023 343 T HA 0.027 4.377 4.350 0.000 0.000 0.266 343 T C 0.991 175.679 174.700 -0.020 0.000 1.093 343 T CA 0.493 62.578 62.100 -0.024 0.000 1.129 343 T CB -0.692 68.160 68.868 -0.026 0.000 0.899 343 T HN -0.080 nan 8.240 nan 0.000 0.491 344 N N 3.374 122.060 118.700 -0.023 0.000 2.817 344 N HA 0.285 5.025 4.740 0.000 0.000 0.234 344 N C -2.851 172.653 175.510 -0.010 0.000 1.066 344 N CA -1.358 51.682 53.050 -0.017 0.000 0.926 344 N CB 1.429 39.903 38.487 -0.021 0.000 1.176 344 N HN 0.369 nan 8.380 nan 0.000 0.506 345 P HA 0.159 nan 4.420 nan 0.000 0.266 345 P C -2.645 174.663 177.300 0.013 0.000 1.195 345 P CA -0.796 62.308 63.100 0.006 0.000 0.768 345 P CB -0.108 31.597 31.700 0.008 0.000 0.838 346 P HA 0.175 nan 4.420 nan 0.000 0.276 346 P C 0.694 178.015 177.300 0.036 0.000 1.230 346 P CA -0.146 62.976 63.100 0.037 0.000 0.776 346 P CB 0.616 32.354 31.700 0.063 0.000 0.888 347 E N 1.691 121.904 120.200 0.021 0.000 2.077 347 E HA -0.061 4.289 4.350 0.000 0.000 0.193 347 E C 0.188 176.814 176.600 0.044 0.000 0.989 347 E CA 0.908 57.319 56.400 0.017 0.000 0.800 347 E CB -0.187 29.506 29.700 -0.012 0.000 0.746 347 E HN 0.366 nan 8.360 nan 0.000 0.452 348 L N 0.906 122.163 121.223 0.057 0.000 2.365 348 L HA 0.321 4.661 4.340 0.000 0.000 0.273 348 L C -0.351 176.646 176.870 0.212 0.000 1.000 348 L CA -0.879 54.040 54.840 0.132 0.000 0.819 348 L CB 1.826 43.907 42.059 0.037 0.000 1.284 348 L HN 0.111 nan 8.230 nan 0.000 0.418 349 L N 3.560 124.933 121.223 0.250 0.000 3.823 349 L HA -0.177 4.164 4.340 0.000 0.000 0.525 349 L C -1.394 175.590 176.870 0.189 0.000 1.247 349 L CA -0.453 54.531 54.840 0.241 0.000 0.776 349 L CB -0.827 41.407 42.059 0.291 0.000 1.443 349 L HN 0.598 nan 8.230 nan 0.000 0.831 350 P HA -0.131 nan 4.420 nan 0.000 0.223 350 P C 1.327 178.715 177.300 0.147 0.000 1.144 350 P CA 1.095 64.269 63.100 0.124 0.000 0.783 350 P CB 0.338 32.094 31.700 0.094 0.000 0.771 351 S N -0.740 115.069 115.700 0.182 0.000 2.528 351 S HA 0.043 4.514 4.470 0.000 0.000 0.219 351 S C 0.877 175.622 174.600 0.242 0.000 0.985 351 S CA -0.392 57.954 58.200 0.243 0.000 0.914 351 S CB -0.664 62.686 63.200 0.250 0.000 0.776 351 S HN 0.088 nan 8.310 nan 0.000 0.526 352 L N 2.262 123.613 121.223 0.213 0.000 2.559 352 L HA 0.370 4.710 4.340 0.000 0.000 0.274 352 L C 1.148 178.148 176.870 0.216 0.000 1.205 352 L CA 1.229 56.199 54.840 0.218 0.000 0.907 352 L CB -0.263 41.921 42.059 0.207 0.000 1.153 352 L HN 0.337 nan 8.230 nan 0.000 0.490 353 G N 2.355 111.289 108.800 0.222 0.000 2.184 353 G HA2 -0.269 3.691 3.960 0.000 0.000 0.264 353 G HA3 -0.269 3.691 3.960 0.000 0.000 0.264 353 G C 0.450 175.444 174.900 0.157 0.000 0.975 353 G CA 0.306 45.520 45.100 0.189 0.000 0.642 353 G HN 0.841 nan 8.290 nan 0.000 0.536 354 S N -1.513 114.291 115.700 0.173 0.000 2.681 354 S HA 0.636 5.106 4.470 0.000 0.000 0.299 354 S C 0.461 175.199 174.600 0.229 0.000 1.113 354 S CA 0.136 58.387 58.200 0.085 0.000 1.013 354 S CB 0.761 63.935 63.200 -0.044 0.000 1.076 354 S HN 0.939 nan 8.310 nan 0.000 0.534 355 Y N -0.947 119.418 120.300 0.109 0.000 4.490 355 Y HA -0.214 4.336 4.550 0.000 0.000 0.233 355 Y C 0.530 176.511 175.900 0.136 0.000 1.101 355 Y CA 0.297 58.462 58.100 0.108 0.000 2.010 355 Y CB -2.358 36.159 38.460 0.096 0.000 1.622 355 Y HN 0.632 nan 8.280 nan 0.000 0.675 356 I N 0.177 120.906 120.570 0.265 0.000 2.692 356 I HA 0.402 4.572 4.170 0.000 0.000 0.284 356 I C 0.715 177.001 176.117 0.281 0.000 1.159 356 I CA 0.514 61.961 61.300 0.245 0.000 1.423 356 I CB 1.096 39.230 38.000 0.223 0.000 1.380 356 I HN 0.215 nan 8.210 nan 0.000 0.580 357 T N 1.945 116.613 114.554 0.189 0.000 2.863 357 T HA 0.683 5.033 4.350 0.000 0.000 0.285 357 T C -0.624 174.070 174.700 -0.009 0.000 1.009 357 T CA -0.709 61.482 62.100 0.152 0.000 0.989 357 T CB 2.094 70.994 68.868 0.053 0.000 1.004 357 T HN 0.810 nan 8.240 nan 0.000 0.455 358 E N 1.143 121.305 120.200 -0.063 0.000 2.314 358 E HA 0.334 4.684 4.350 0.000 0.000 0.272 358 E C -0.928 175.751 176.600 0.131 0.000 0.884 358 E CA -0.570 55.769 56.400 -0.101 0.000 0.753 358 E CB 1.976 31.411 29.700 -0.441 0.000 1.213 358 E HN 0.711 nan 8.360 nan 0.000 0.432 359 Q N 1.092 120.985 119.800 0.155 0.000 2.392 359 Q HA 0.356 4.696 4.340 0.000 0.000 0.262 359 Q C -0.323 175.852 176.000 0.292 0.000 1.003 359 Q CA -0.022 55.925 55.803 0.241 0.000 0.888 359 Q CB 0.950 29.878 28.738 0.317 0.000 1.260 359 Q HN 0.453 nan 8.270 nan 0.000 0.435 360 S N 1.119 116.938 115.700 0.197 0.000 2.601 360 S HA 0.466 4.936 4.470 0.000 0.000 0.271 360 S C -0.783 173.849 174.600 0.054 0.000 1.305 360 S CA -0.572 57.635 58.200 0.012 0.000 1.022 360 S CB 0.521 63.622 63.200 -0.166 0.000 0.940 360 S HN 0.395 nan 8.310 nan 0.000 0.525 361 L N 3.596 124.822 121.223 0.005 0.000 2.476 361 L HA 0.646 4.986 4.340 0.000 0.000 0.269 361 L C -0.896 175.867 176.870 -0.179 0.000 0.965 361 L CA -0.611 54.152 54.840 -0.128 0.000 0.845 361 L CB 1.570 43.519 42.059 -0.184 0.000 1.259 361 L HN 0.474 nan 8.230 nan 0.000 0.403 362 V N 1.848 121.595 119.914 -0.279 0.000 2.732 362 V HA 0.748 4.869 4.120 0.000 0.000 0.310 362 V C -0.874 175.150 176.094 -0.118 0.000 1.053 362 V CA -0.646 61.422 62.300 -0.387 0.000 0.957 362 V CB 1.650 33.075 31.823 -0.664 0.000 1.018 362 V HN 0.794 nan 8.190 nan 0.000 0.452 363 F N 4.373 124.162 119.950 -0.268 0.000 2.608 363 F HA 0.834 5.361 4.527 0.000 0.000 0.309 363 F C -0.399 175.311 175.800 -0.150 0.000 1.103 363 F CA -0.296 57.625 58.000 -0.132 0.000 0.954 363 F CB 1.453 40.401 39.000 -0.087 0.000 1.267 363 F HN 1.188 nan 8.300 nan 0.000 0.444 364 C N 2.967 121.672 119.300 -0.991 0.000 3.332 364 C HA 0.806 5.267 4.460 0.000 0.000 0.329 364 C C -1.660 172.785 174.990 -0.908 0.000 1.434 364 C CA -0.664 57.736 59.018 -1.029 0.000 1.314 364 C CB 1.736 29.109 27.740 -0.612 0.000 1.664 364 C HN 0.956 nan 8.230 nan 0.000 0.457 365 Q N 0.642 120.144 119.800 -0.496 0.000 2.377 365 Q HA 0.758 5.098 4.340 0.000 0.000 0.271 365 Q C -0.428 175.612 176.000 0.067 0.000 1.077 365 Q CA -0.206 55.542 55.803 -0.091 0.000 0.820 365 Q CB 2.745 31.430 28.738 -0.090 0.000 1.347 365 Q HN 0.941 nan 8.270 nan 0.000 0.444 366 T N -2.218 112.458 114.554 0.203 0.000 2.926 366 T HA 0.794 5.144 4.350 0.000 0.000 0.289 366 T C -0.190 174.577 174.700 0.113 0.000 1.054 366 T CA -0.623 61.563 62.100 0.144 0.000 1.015 366 T CB 1.236 70.199 68.868 0.157 0.000 1.167 366 T HN 0.285 nan 8.240 nan 0.000 0.526 370 T N 1.855 116.409 114.554 -0.001 0.000 2.759 370 T HA -0.110 4.240 4.350 0.000 0.000 0.269 370 T C 1.508 176.216 174.700 0.013 0.000 1.042 370 T CA 2.159 64.262 62.100 0.006 0.000 1.140 370 T CB -0.572 68.296 68.868 0.000 0.000 0.864 370 T HN 0.735 nan 8.240 nan 0.000 0.455 371 E N 0.586 120.790 120.200 0.007 0.000 2.058 371 E HA -0.095 4.255 4.350 0.000 0.000 0.194 371 E C 2.234 178.852 176.600 0.031 0.000 0.997 371 E CA 1.003 57.411 56.400 0.013 0.000 0.801 371 E CB -0.275 29.425 29.700 0.001 0.000 0.746 371 E HN 0.416 nan 8.360 nan 0.000 0.450 372 L N 0.603 121.846 121.223 0.035 0.000 2.056 372 L HA -0.165 4.175 4.340 0.000 0.000 0.207 372 L C 2.376 179.289 176.870 0.071 0.000 1.078 372 L CA 0.343 55.219 54.840 0.059 0.000 0.749 372 L CB -0.219 41.874 42.059 0.057 0.000 0.901 372 L HN 0.203 nan 8.230 nan 0.000 0.433 373 I N 0.057 120.656 120.570 0.048 0.000 2.179 373 I HA -0.287 3.883 4.170 0.000 0.000 0.242 373 I C 2.144 178.296 176.117 0.058 0.000 1.088 373 I CA 1.518 62.843 61.300 0.042 0.000 1.357 373 I CB -1.132 36.884 38.000 0.026 0.000 1.051 373 I HN 0.273 nan 8.210 nan 0.000 0.409 374 D N 0.512 120.946 120.400 0.055 0.000 2.178 374 D HA -0.121 4.519 4.640 0.000 0.000 0.201 374 D C 2.340 178.694 176.300 0.090 0.000 0.980 374 D CA 1.535 55.572 54.000 0.062 0.000 0.842 374 D CB -0.078 40.749 40.800 0.044 0.000 0.948 374 D HN 0.390 nan 8.370 nan 0.000 0.472 375 S N -0.090 115.673 115.700 0.106 0.000 2.447 375 S HA -0.085 4.385 4.470 0.000 0.000 0.233 375 S C 2.158 176.928 174.600 0.284 0.000 1.006 375 S CA 0.476 58.770 58.200 0.158 0.000 0.957 375 S CB -0.437 62.845 63.200 0.136 0.000 0.773 375 S HN 0.064 nan 8.310 nan 0.000 0.507 376 V N 3.169 123.223 119.914 0.234 0.000 2.324 376 V HA -0.187 3.933 4.120 0.000 0.000 0.250 376 V C 2.243 178.510 176.094 0.289 0.000 1.060 376 V CA 2.188 64.656 62.300 0.281 0.000 1.042 376 V CB -0.827 31.047 31.823 0.084 0.000 0.650 376 V HN 0.815 nan 8.190 nan 0.000 0.450 377 K N 0.425 120.935 120.400 0.183 0.000 2.498 377 K HA 0.174 4.494 4.320 0.000 0.000 0.207 377 K C 1.500 178.170 176.600 0.116 0.000 1.033 377 K CA 0.680 57.053 56.287 0.144 0.000 1.138 377 K CB 0.214 32.775 32.500 0.102 0.000 0.860 377 K HN 0.452 nan 8.250 nan 0.000 0.490 378 S N -0.171 115.608 115.700 0.131 0.000 2.447 378 S HA -0.085 4.385 4.470 0.000 0.000 0.233 378 S C 0.416 175.026 174.600 0.016 0.000 1.006 378 S CA 0.507 58.739 58.200 0.053 0.000 0.957 378 S CB -0.272 62.934 63.200 0.009 0.000 0.773 378 S HN 0.312 nan 8.310 nan 0.000 0.507 382 I N 3.383 123.934 120.570 -0.031 0.000 2.382 382 I HA 0.497 4.667 4.170 0.000 0.000 0.286 382 I C 0.226 176.309 176.117 -0.058 0.000 1.002 382 I CA -0.576 60.677 61.300 -0.077 0.000 1.135 382 I CB 1.341 39.331 38.000 -0.017 0.000 1.288 382 I HN 0.268 nan 8.210 nan 0.000 0.448 383 R N 4.310 124.742 120.500 -0.113 0.000 2.532 383 R HA 0.762 5.102 4.340 0.000 0.000 0.295 383 R C 0.391 176.702 176.300 0.018 0.000 0.968 383 R CA -0.338 55.736 56.100 -0.042 0.000 0.916 383 R CB 1.801 32.073 30.300 -0.047 0.000 1.124 383 R HN 0.866 nan 8.270 nan 0.000 0.463 384 G N 1.227 110.085 108.800 0.095 0.000 2.553 384 G HA2 -0.262 3.698 3.960 0.000 0.000 0.242 384 G HA3 -0.262 3.698 3.960 0.000 0.000 0.242 384 G C -0.854 174.208 174.900 0.270 0.000 1.277 384 G CA -0.462 44.741 45.100 0.171 0.000 0.910 384 G HN 0.531 nan 8.290 nan 0.000 0.576 385 T N 3.094 117.796 114.554 0.247 0.000 2.841 385 T HA 0.633 4.983 4.350 0.000 0.000 0.285 385 T C -2.668 171.886 174.700 -0.245 0.000 0.991 385 T CA -0.621 61.514 62.100 0.058 0.000 0.966 385 T CB 2.252 71.127 68.868 0.012 0.000 0.962 385 T HN 0.501 nan 8.240 nan 0.000 0.438 386 P HA 0.230 nan 4.420 nan 0.000 0.264 386 P C 1.098 178.129 177.300 -0.448 0.000 1.183 386 P CA 1.036 63.520 63.100 -1.026 0.000 0.763 386 P CB 0.326 31.647 31.700 -0.631 0.000 0.807 387 G N 1.036 109.623 108.800 -0.354 0.000 2.199 387 G HA2 -0.184 3.776 3.960 0.000 0.000 0.254 387 G HA3 -0.184 3.776 3.960 0.000 0.000 0.254 387 G C 0.123 174.976 174.900 -0.078 0.000 0.982 387 G CA -0.241 44.768 45.100 -0.151 0.000 0.632 387 G HN 0.538 nan 8.290 nan 0.000 0.529 388 E N -0.216 119.947 120.200 -0.063 0.000 2.239 388 E HA 0.590 4.941 4.350 0.000 0.000 0.261 388 E C 1.558 178.193 176.600 0.058 0.000 1.016 388 E CA -0.667 55.737 56.400 0.008 0.000 0.882 388 E CB 0.869 30.582 29.700 0.022 0.000 1.190 388 E HN 0.162 nan 8.360 nan 0.000 0.415 389 L N 0.113 121.366 121.223 0.050 0.000 2.141 389 L HA -0.128 4.212 4.340 0.000 0.000 0.209 389 L C 2.435 179.348 176.870 0.072 0.000 1.094 389 L CA 1.340 56.212 54.840 0.054 0.000 0.763 389 L CB -0.535 41.543 42.059 0.033 0.000 0.908 389 L HN 0.562 nan 8.230 nan 0.000 0.437 390 T N -1.490 113.112 114.554 0.081 0.000 3.035 390 T HA -0.176 4.174 4.350 0.000 0.000 0.268 390 T C 0.618 175.382 174.700 0.108 0.000 1.109 390 T CA -0.031 62.114 62.100 0.076 0.000 1.119 390 T CB -0.292 68.615 68.868 0.065 0.000 0.900 390 T HN 0.165 nan 8.240 nan 0.000 0.503 391 Y N 2.557 122.859 120.300 0.003 0.000 2.632 391 Y HA 0.402 4.952 4.550 0.000 0.000 0.329 391 Y C 0.172 176.076 175.900 0.006 0.000 1.174 391 Y CA -0.265 57.838 58.100 0.005 0.000 1.469 391 Y CB 0.244 38.706 38.460 0.003 0.000 1.242 391 Y HN 0.107 nan 8.280 nan 0.000 0.540 392 S N 5.300 120.706 115.700 -0.490 0.000 2.575 392 S HA 0.719 5.189 4.470 0.000 0.000 0.278 392 S C -2.011 172.313 174.600 -0.460 0.000 1.139 392 S CA -0.718 57.272 58.200 -0.351 0.000 0.954 392 S CB 0.794 63.900 63.200 -0.158 0.000 1.054 392 S HN 0.453 nan 8.310 nan 0.000 0.483 393 V N 4.646 124.372 119.914 -0.313 0.000 2.444 393 V HA 0.742 4.862 4.120 0.000 0.000 0.294 393 V C 0.127 176.198 176.094 -0.038 0.000 1.022 393 V CA -0.426 61.766 62.300 -0.181 0.000 0.850 393 V CB 1.265 33.010 31.823 -0.130 0.000 0.992 393 V HN 1.048 nan 8.190 nan 0.000 0.426 394 T N 1.664 116.222 114.554 0.007 0.000 2.865 394 T HA 0.898 5.248 4.350 0.000 0.000 0.294 394 T C -1.026 173.770 174.700 0.160 0.000 1.119 394 T CA -0.849 61.281 62.100 0.050 0.000 1.007 394 T CB 2.361 71.210 68.868 -0.032 0.000 1.225 394 T HN 0.942 nan 8.240 nan 0.000 0.515 395 Y N -2.116 118.177 120.300 -0.011 0.000 2.624 395 Y HA 0.674 5.224 4.550 0.000 0.000 0.334 395 Y C -1.059 174.836 175.900 -0.008 0.000 1.155 395 Y CA -1.218 56.878 58.100 -0.006 0.000 1.046 395 Y CB 0.869 39.334 38.460 0.008 0.000 1.316 395 Y HN 0.656 nan 8.280 nan 0.000 0.457 396 T N 4.952 119.509 114.554 0.006 0.000 2.747 396 T HA 0.349 4.700 4.350 0.000 0.000 0.301 396 T C -2.711 171.993 174.700 0.007 0.000 0.952 396 T CA -1.201 60.850 62.100 -0.081 0.000 0.983 396 T CB 0.427 69.284 68.868 -0.019 0.000 0.930 396 T HN 0.352 nan 8.240 nan 0.000 0.494 397 P HA 0.201 nan 4.420 nan 0.000 0.265 397 P C 1.148 178.489 177.300 0.068 0.000 1.193 397 P CA 0.579 63.724 63.100 0.074 0.000 0.765 397 P CB 0.349 32.032 31.700 -0.028 0.000 0.823 398 G N 2.009 110.867 108.800 0.097 0.000 2.196 398 G HA2 -0.276 3.684 3.960 0.000 0.000 0.268 398 G HA3 -0.276 3.684 3.960 0.000 0.000 0.268 398 G C 0.517 175.431 174.900 0.023 0.000 0.975 398 G CA 0.138 45.267 45.100 0.049 0.000 0.648 398 G HN 0.877 nan 8.290 nan 0.000 0.538 399 A N 0.510 123.345 122.820 0.026 0.000 2.546 399 A HA 0.578 4.899 4.320 0.000 0.000 0.243 399 A C 1.821 179.397 177.584 -0.013 0.000 1.063 399 A CA 1.330 53.370 52.037 0.005 0.000 0.757 399 A CB 0.204 19.210 19.000 0.010 0.000 0.991 399 A HN 1.764 nan 8.150 nan 0.000 0.503 400 S N 1.725 117.414 115.700 -0.019 0.000 2.419 400 S HA -0.182 4.288 4.470 0.000 0.000 0.233 400 S C 1.595 176.166 174.600 -0.048 0.000 1.016 400 S CA 1.749 59.931 58.200 -0.030 0.000 0.974 400 S CB -1.015 62.171 63.200 -0.024 0.000 0.786 400 S HN 1.337 nan 8.310 nan 0.000 0.492 401 T N -0.580 113.947 114.554 -0.046 0.000 3.113 401 T HA 0.112 4.462 4.350 0.000 0.000 0.263 401 T C 0.526 175.170 174.700 -0.093 0.000 1.143 401 T CA -0.103 61.959 62.100 -0.062 0.000 1.090 401 T CB -0.758 68.082 68.868 -0.047 0.000 0.922 401 T HN 0.225 nan 8.240 nan 0.000 0.521 402 N N 2.133 120.777 118.700 -0.093 0.000 2.458 402 N HA 0.155 4.895 4.740 0.000 0.000 0.258 402 N C 0.973 176.331 175.510 -0.253 0.000 1.219 402 N CA -0.147 52.816 53.050 -0.144 0.000 0.902 402 N CB 0.959 39.388 38.487 -0.097 0.000 1.076 402 N HN 0.202 nan 8.380 nan 0.000 0.455 403 K N 1.348 121.495 120.400 -0.421 0.000 2.314 403 K HA 0.036 4.357 4.320 0.000 0.000 0.198 403 K C -0.200 175.858 176.600 -0.904 0.000 1.045 403 K CA 0.668 56.558 56.287 -0.662 0.000 0.988 403 K CB 0.082 32.080 32.500 -0.837 0.000 0.783 403 K HN 0.632 nan 8.250 nan 0.000 0.484 404 H N -0.036 118.709 119.070 -0.541 0.000 2.679 404 H HA 0.257 4.813 4.556 0.000 0.000 0.367 404 H C -2.347 172.662 175.328 -0.532 0.000 1.162 404 H CA -2.154 53.409 56.048 -0.808 0.000 1.181 404 H CB 1.690 30.507 29.762 -1.575 0.000 1.693 404 H HN -0.096 nan 8.280 nan 0.000 0.538 405 P HA -0.023 nan 4.420 nan 0.000 0.274 405 P C -0.013 177.106 177.300 -0.301 0.000 1.237 405 P CA -0.266 62.661 63.100 -0.288 0.000 0.793 405 P CB 1.289 32.812 31.700 -0.295 0.000 0.977 406 D N 0.726 121.084 120.400 -0.069 0.000 2.133 406 D HA -0.177 4.463 4.640 0.000 0.000 0.192 406 D C 1.915 178.246 176.300 0.052 0.000 1.001 406 D CA 1.488 55.523 54.000 0.057 0.000 0.844 406 D CB -0.599 40.318 40.800 0.195 0.000 0.944 406 D HN 0.632 nan 8.370 nan 0.000 0.447 407 W N 0.269 121.642 121.300 0.123 0.000 2.364 407 W HA -0.156 4.504 4.660 0.000 0.000 0.281 407 W C 1.916 178.511 176.519 0.125 0.000 1.219 407 W CA 0.251 57.663 57.345 0.111 0.000 1.220 407 W CB -1.250 28.268 29.460 0.097 0.000 1.127 407 W HN 0.101 nan 8.180 nan 0.000 0.556 408 W N 3.449 124.301 121.300 -0.746 0.000 2.444 408 W HA -0.121 4.540 4.660 0.000 0.000 0.308 408 W C 1.880 178.147 176.519 -0.420 0.000 1.183 408 W CA 1.506 58.403 57.345 -0.748 0.000 1.340 408 W CB -1.036 27.772 29.460 -1.088 0.000 1.138 408 W HN -0.149 nan 8.180 nan 0.000 0.510 409 N N 1.114 119.763 118.700 -0.084 0.000 2.120 409 N HA -0.210 4.530 4.740 0.000 0.000 0.188 409 N C 1.502 176.746 175.510 -0.443 0.000 1.024 409 N CA 2.031 54.827 53.050 -0.423 0.000 0.852 409 N CB -0.803 37.043 38.487 -1.068 0.000 1.003 409 N HN 0.154 nan 8.380 nan 0.000 0.424 410 E N 1.454 121.522 120.200 -0.221 0.000 2.058 410 E HA -0.114 4.237 4.350 0.000 0.000 0.194 410 E C 1.695 178.343 176.600 0.079 0.000 0.997 410 E CA 1.428 57.879 56.400 0.086 0.000 0.801 410 E CB -0.050 29.773 29.700 0.206 0.000 0.746 410 E HN 0.286 nan 8.360 nan 0.000 0.450 411 K N -0.621 119.819 120.400 0.066 0.000 2.032 411 K HA -0.113 4.207 4.320 0.000 0.000 0.209 411 K C 2.129 178.739 176.600 0.016 0.000 1.048 411 K CA 1.473 57.791 56.287 0.051 0.000 0.927 411 K CB -0.189 32.334 32.500 0.040 0.000 0.712 411 K HN 0.023 nan 8.250 nan 0.000 0.441 412 V N 1.710 121.595 119.914 -0.047 0.000 2.307 412 V HA -0.260 3.860 4.120 0.000 0.000 0.245 412 V C 2.338 178.470 176.094 0.063 0.000 1.045 412 V CA 1.666 63.953 62.300 -0.022 0.000 1.024 412 V CB -0.428 31.371 31.823 -0.040 0.000 0.651 412 V HN 0.339 nan 8.190 nan 0.000 0.449 413 K N 0.271 120.702 120.400 0.051 0.000 2.044 413 K HA -0.268 4.052 4.320 0.000 0.000 0.210 413 K C 2.045 178.705 176.600 0.100 0.000 1.049 413 K CA 2.130 58.478 56.287 0.101 0.000 0.927 413 K CB -0.232 32.385 32.500 0.194 0.000 0.713 413 K HN 0.428 nan 8.250 nan 0.000 0.443 414 N N 0.287 119.051 118.700 0.106 0.000 2.188 414 N HA -0.133 4.608 4.740 0.000 0.000 0.184 414 N C 0.914 176.476 175.510 0.087 0.000 1.018 414 N CA 0.796 53.901 53.050 0.091 0.000 0.858 414 N CB -0.591 37.957 38.487 0.100 0.000 0.989 414 N HN 0.378 nan 8.380 nan 0.000 0.426 419 H N 0.951 119.920 119.070 -0.169 0.000 2.380 419 H HA 0.269 4.825 4.556 0.000 0.000 0.231 419 H C -0.028 175.207 175.328 -0.156 0.000 1.415 419 H CA -0.063 55.889 56.048 -0.159 0.000 1.433 419 H CB 0.745 30.337 29.762 -0.284 0.000 1.544 419 H HN 0.217 nan 8.280 nan 0.000 0.503 420 Q N 0.447 120.227 119.800 -0.035 0.000 2.297 420 Q HA -0.123 4.217 4.340 0.000 0.000 0.204 420 Q C 1.055 177.019 176.000 -0.061 0.000 0.962 420 Q CA 1.174 56.927 55.803 -0.083 0.000 0.879 420 Q CB 0.395 29.044 28.738 -0.149 0.000 0.947 420 Q HN 0.498 nan 8.270 nan 0.000 0.462 421 E N 0.848 121.054 120.200 0.009 0.000 2.268 421 E HA -0.100 4.250 4.350 0.000 0.000 0.195 421 E C -0.100 176.539 176.600 0.064 0.000 0.995 421 E CA 0.696 57.117 56.400 0.034 0.000 0.836 421 E CB -0.179 29.560 29.700 0.065 0.000 0.763 421 E HN 0.207 nan 8.360 nan 0.000 0.491 422 D N 0.947 121.399 120.400 0.087 0.000 2.277 422 D HA 0.089 4.729 4.640 0.000 0.000 0.249 422 D C -1.470 174.875 176.300 0.076 0.000 1.134 422 D CA -1.954 52.117 54.000 0.118 0.000 0.863 422 D CB 1.126 42.011 40.800 0.143 0.000 1.143 422 D HN -0.151 nan 8.370 nan 0.000 0.458 423 P HA 0.072 nan 4.420 nan 0.000 0.245 423 P C -0.192 177.151 177.300 0.072 0.000 1.206 423 P CA 0.282 63.419 63.100 0.063 0.000 0.781 423 P CB 0.402 32.134 31.700 0.053 0.000 0.994 424 L N 1.655 122.931 121.223 0.088 0.000 2.331 424 L HA 0.377 4.717 4.340 0.000 0.000 0.275 424 L C -1.433 175.475 176.870 0.063 0.000 1.022 424 L CA -2.214 52.657 54.840 0.051 0.000 0.812 424 L CB 2.315 44.379 42.059 0.007 0.000 1.257 424 L HN -0.289 nan 8.230 nan 0.000 0.435 425 P HA 0.104 nan 4.420 nan 0.000 0.255 425 P C 0.198 177.366 177.300 -0.219 0.000 1.248 425 P CA 0.414 63.526 63.100 0.018 0.000 0.807 425 P CB 0.352 32.071 31.700 0.031 0.000 1.150 426 I N 2.412 122.774 120.570 -0.347 0.000 2.416 426 I HA 0.192 4.362 4.170 0.000 0.000 0.288 426 I C -2.079 173.536 176.117 -0.836 0.000 1.051 426 I CA -2.647 58.381 61.300 -0.453 0.000 1.375 426 I CB 0.577 38.409 38.000 -0.280 0.000 1.407 426 I HN -0.221 nan 8.210 nan 0.000 0.516 427 P HA 0.001 nan 4.420 nan 0.000 0.267 427 P C 0.315 177.391 177.300 -0.373 0.000 1.200 427 P CA -0.003 62.701 63.100 -0.660 0.000 0.772 427 P CB 0.346 31.910 31.700 -0.227 0.000 0.855 428 F N 0.769 120.620 119.950 -0.165 0.000 2.161 428 F HA -0.125 4.402 4.527 0.000 0.000 0.300 428 F C 1.877 177.649 175.800 -0.048 0.000 1.089 428 F CA 1.542 59.489 58.000 -0.088 0.000 1.282 428 F CB -0.915 38.042 39.000 -0.071 0.000 1.010 428 F HN 0.421 nan 8.300 nan 0.000 0.485 429 E N -0.280 120.015 120.200 0.159 0.000 2.437 429 E HA -0.043 4.307 4.350 0.000 0.000 0.189 429 E C -0.209 176.423 176.600 0.053 0.000 1.054 429 E CA -0.201 56.260 56.400 0.102 0.000 0.874 429 E CB -0.229 29.529 29.700 0.097 0.000 1.011 429 E HN 0.215 nan 8.360 nan 0.000 0.474 430 D N 2.084 122.495 120.400 0.019 0.000 2.401 430 D HA 0.036 4.676 4.640 0.000 0.000 0.254 430 D C -2.338 173.987 176.300 0.042 0.000 1.192 430 D CA -1.681 52.315 54.000 -0.006 0.000 0.885 430 D CB 0.838 41.592 40.800 -0.077 0.000 1.147 430 D HN -0.139 nan 8.370 nan 0.000 0.478 431 P HA 0.041 nan 4.420 nan 0.000 0.270 431 P C -0.539 176.881 177.300 0.199 0.000 1.227 431 P CA -0.211 62.983 63.100 0.156 0.000 0.788 431 P CB 0.387 32.169 31.700 0.137 0.000 0.926 432 E N 1.855 122.204 120.200 0.250 0.000 2.349 432 E HA 0.257 4.607 4.350 0.000 0.000 0.262 432 E C -2.398 174.221 176.600 0.032 0.000 1.088 432 E CA -2.359 54.101 56.400 0.099 0.000 0.899 432 E CB -0.858 28.869 29.700 0.045 0.000 1.044 432 E HN 0.280 nan 8.360 nan 0.000 0.420 433 P HA 0.027 nan 4.420 nan 0.000 0.268 433 P C -0.446 176.843 177.300 -0.019 0.000 1.205 433 P CA 0.099 63.248 63.100 0.081 0.000 0.771 433 P CB 0.469 32.168 31.700 -0.002 0.000 0.858 434 Q N 1.407 121.300 119.800 0.155 0.000 3.484 434 Q HA 0.309 4.649 4.340 0.000 0.000 0.255 434 Q C -1.035 175.043 176.000 0.130 0.000 0.909 434 Q CA -0.384 55.398 55.803 -0.034 0.000 0.774 434 Q CB 1.406 29.901 28.738 -0.405 0.000 1.431 434 Q HN 0.203 nan 8.270 nan 0.000 0.423 435 V N 0.862 120.792 119.914 0.027 0.000 2.513 435 V HA 0.669 4.789 4.120 0.000 0.000 0.299 435 V C 0.129 176.209 176.094 -0.023 0.000 1.035 435 V CA -0.428 61.877 62.300 0.008 0.000 0.889 435 V CB 2.007 33.770 31.823 -0.101 0.000 0.988 435 V HN 0.473 nan 8.190 nan 0.000 0.440 436 T N 2.080 116.653 114.554 0.031 0.000 2.912 436 T HA 0.498 4.848 4.350 0.000 0.000 0.299 436 T C -0.793 173.873 174.700 -0.056 0.000 1.052 436 T CA -0.326 61.742 62.100 -0.053 0.000 0.996 436 T CB 1.718 70.510 68.868 -0.127 0.000 1.070 436 T HN 0.809 nan 8.240 nan 0.000 0.465 437 T N 5.417 119.828 114.554 -0.238 0.000 2.772 437 T HA 0.587 4.937 4.350 0.000 0.000 0.288 437 T C 0.076 174.641 174.700 -0.225 0.000 0.994 437 T CA -0.610 61.201 62.100 -0.483 0.000 0.951 437 T CB -0.101 68.047 68.868 -1.201 0.000 0.933 437 T HN 0.550 nan 8.240 nan 0.000 0.447 438 L N 4.379 125.553 121.223 -0.080 0.000 2.476 438 L HA 0.370 4.711 4.340 0.000 0.000 0.264 438 L C 0.797 177.758 176.870 0.152 0.000 1.224 438 L CA -0.773 54.117 54.840 0.083 0.000 0.821 438 L CB 0.279 42.391 42.059 0.088 0.000 1.101 438 L HN 0.659 nan 8.230 nan 0.000 0.488 439 F N 2.161 122.108 119.950 -0.005 0.000 2.602 439 F HA 0.007 4.534 4.527 0.000 0.000 0.385 439 F C 0.213 175.814 175.800 -0.331 0.000 1.063 439 F CA 0.095 57.994 58.000 -0.168 0.000 1.233 439 F CB 0.212 39.166 39.000 -0.077 0.000 1.067 439 F HN 0.412 nan 8.300 nan 0.000 0.564 440 Q N 6.443 125.751 119.800 -0.820 0.000 2.501 440 Q HA 0.241 4.581 4.340 0.000 0.000 0.288 440 Q C -2.039 173.385 176.000 -0.959 0.000 1.051 440 Q CA -1.790 53.585 55.803 -0.712 0.000 0.788 440 Q CB 1.537 29.857 28.738 -0.698 0.000 1.469 440 Q HN 0.309 nan 8.270 nan 0.000 0.416 441 P HA -0.199 nan 4.420 nan 0.000 0.217 441 P C 1.163 178.156 177.300 -0.511 0.000 1.148 441 P CA 1.986 64.814 63.100 -0.452 0.000 0.834 441 P CB 0.223 31.787 31.700 -0.226 0.000 0.783 442 S N -1.673 113.726 115.700 -0.501 0.000 2.562 442 S HA -0.078 4.392 4.470 0.000 0.000 0.221 442 S C 0.506 174.860 174.600 -0.411 0.000 0.975 442 S CA 0.075 58.081 58.200 -0.324 0.000 0.918 442 S CB -1.181 61.968 63.200 -0.086 0.000 0.772 442 S HN 0.420 nan 8.310 nan 0.000 0.531 443 H N -1.321 117.244 119.070 -0.841 0.000 2.600 443 H HA 0.442 4.998 4.556 0.000 0.000 0.224 443 H C -3.252 170.461 175.328 -2.692 0.000 1.413 443 H CA -1.742 53.356 56.048 -1.584 0.000 1.401 443 H CB 0.064 29.471 29.762 -0.593 0.000 1.772 443 H HN 0.076 nan 8.280 nan 0.000 0.528 444 P HA 0.049 nan 4.420 nan 0.000 0.235 444 P C -1.186 175.526 177.300 -0.980 0.000 1.765 444 P CA 0.442 62.373 63.100 -1.949 0.000 1.034 444 P CB -1.062 30.026 31.700 -1.018 0.000 1.984 445 W N -0.139 120.923 121.300 -0.397 0.000 3.161 445 W HA 0.455 5.115 4.660 0.000 0.000 0.314 445 W C -1.420 175.341 176.519 0.403 0.000 1.245 445 W CA -1.116 56.423 57.345 0.324 0.000 1.191 445 W CB -0.001 29.597 29.460 0.230 0.000 1.392 445 W HN 0.018 nan 8.180 nan 0.000 0.568 446 H N 1.000 120.401 119.070 0.551 0.000 2.472 446 H HA 0.755 5.311 4.556 0.000 0.000 0.335 446 H C -0.172 175.272 175.328 0.194 0.000 1.136 446 H CA 0.503 56.714 56.048 0.273 0.000 1.264 446 H CB 1.598 31.426 29.762 0.110 0.000 1.486 446 H HN 0.608 nan 8.280 nan 0.000 0.517 447 T N 2.176 116.434 114.554 -0.493 0.000 2.906 447 T HA 0.514 4.864 4.350 0.000 0.000 0.295 447 T C -0.909 173.513 174.700 -0.464 0.000 1.061 447 T CA -1.117 60.585 62.100 -0.664 0.000 1.000 447 T CB 1.796 69.999 68.868 -1.108 0.000 1.103 447 T HN 0.664 nan 8.240 nan 0.000 0.486 448 Q N 1.652 121.319 119.800 -0.221 0.000 2.275 448 Q HA 0.466 4.806 4.340 0.000 0.000 0.258 448 Q C -1.351 174.570 176.000 -0.131 0.000 0.960 448 Q CA -0.517 55.124 55.803 -0.269 0.000 0.801 448 Q CB 2.428 30.931 28.738 -0.390 0.000 1.302 448 Q HN 0.727 nan 8.270 nan 0.000 0.433 449 I N 3.576 124.024 120.570 -0.203 0.000 2.464 449 I HA 0.398 4.568 4.170 0.000 0.000 0.277 449 I C -0.327 175.697 176.117 -0.155 0.000 1.040 449 I CA -0.332 60.733 61.300 -0.391 0.000 1.153 449 I CB 0.428 38.026 38.000 -0.669 0.000 1.274 449 I HN 0.710 nan 8.210 nan 0.000 0.469 450 H N 3.684 122.586 119.070 -0.280 0.000 2.883 450 H HA 0.626 5.183 4.556 0.000 0.000 0.277 450 H C -1.185 174.078 175.328 -0.108 0.000 1.451 450 H CA -1.360 54.586 56.048 -0.170 0.000 1.157 450 H CB 1.377 31.061 29.762 -0.130 0.000 1.851 450 H HN 0.131 nan 8.280 nan 0.000 0.566 451 R N 1.543 121.876 120.500 -0.278 0.000 2.371 451 R HA 0.251 4.591 4.340 0.000 0.000 0.312 451 R C -1.303 174.810 176.300 -0.311 0.000 0.980 451 R CA -0.658 55.274 56.100 -0.279 0.000 0.867 451 R CB 1.207 31.462 30.300 -0.076 0.000 1.163 451 R HN 0.708 nan 8.270 nan 0.000 0.492 452 D N 1.287 121.448 120.400 -0.399 0.000 2.229 452 D HA 0.325 4.965 4.640 0.000 0.000 0.249 452 D C 0.918 177.287 176.300 0.114 0.000 1.027 452 D CA -0.278 53.623 54.000 -0.165 0.000 0.923 452 D CB 1.942 42.673 40.800 -0.116 0.000 1.174 452 D HN 0.442 nan 8.370 nan 0.000 0.443 453 A N 3.896 126.813 122.820 0.163 0.000 1.865 453 A HA -0.154 4.166 4.320 0.000 0.000 0.217 453 A C 1.248 179.081 177.584 0.415 0.000 1.191 453 A CA 0.782 52.999 52.037 0.300 0.000 0.623 453 A CB -0.780 18.403 19.000 0.304 0.000 0.826 453 A HN 0.633 nan 8.150 nan 0.000 0.444 454 F N 0.495 120.539 119.950 0.157 0.000 2.586 454 F HA 0.250 4.778 4.527 0.000 0.000 0.344 454 F C 1.313 177.133 175.800 0.034 0.000 1.188 454 F CA 1.313 59.358 58.000 0.075 0.000 1.359 454 F CB 0.285 39.284 39.000 -0.003 0.000 1.129 454 F HN 0.322 nan 8.300 nan 0.000 0.609 455 S N 3.074 118.503 115.700 -0.452 0.000 3.432 455 S HA -0.250 4.220 4.470 0.000 0.000 0.521 455 S C -1.289 173.180 174.600 -0.218 0.000 0.696 455 S CA 0.192 58.189 58.200 -0.339 0.000 1.382 455 S CB -1.390 61.633 63.200 -0.296 0.000 0.981 455 S HN 0.649 nan 8.310 nan 0.000 0.813 456 Y N 1.193 121.386 120.300 -0.178 0.000 2.406 456 Y HA 0.568 5.118 4.550 0.000 0.000 0.340 456 Y C 0.650 176.507 175.900 -0.072 0.000 0.975 456 Y CA -0.016 58.035 58.100 -0.081 0.000 1.056 456 Y CB 2.323 40.749 38.460 -0.057 0.000 1.210 456 Y HN 0.683 nan 8.280 nan 0.000 0.448 457 G N 1.602 110.446 108.800 0.073 0.000 2.744 457 G HA2 0.499 4.459 3.960 0.000 0.000 0.309 457 G HA3 0.499 4.459 3.960 0.000 0.000 0.309 457 G C -0.094 174.846 174.900 0.065 0.000 1.328 457 G CA -0.543 44.581 45.100 0.040 0.000 1.034 457 G HN 0.862 nan 8.290 nan 0.000 0.518 458 A N 2.400 125.255 122.820 0.059 0.000 2.426 458 A HA 0.428 4.748 4.320 0.000 0.000 0.247 458 A C 1.305 178.909 177.584 0.034 0.000 1.389 458 A CA 0.620 52.688 52.037 0.052 0.000 1.129 458 A CB -0.298 18.726 19.000 0.040 0.000 0.928 458 A HN 0.957 nan 8.150 nan 0.000 0.557 459 V N -3.422 116.510 119.914 0.030 0.000 3.177 459 V HA 0.093 4.213 4.120 0.000 0.000 0.220 459 V C 1.088 177.195 176.094 0.022 0.000 1.395 459 V CA 0.025 62.338 62.300 0.021 0.000 1.317 459 V CB -0.492 31.340 31.823 0.014 0.000 1.148 459 V HN 0.353 nan 8.190 nan 0.000 0.499 460 Q N 2.000 121.813 119.800 0.021 0.000 2.242 460 Q HA 0.186 4.527 4.340 0.000 0.000 0.246 460 Q C 0.829 176.843 176.000 0.024 0.000 0.883 460 Q CA 0.020 55.834 55.803 0.019 0.000 0.984 460 Q CB 0.519 29.265 28.738 0.014 0.000 1.096 460 Q HN 0.901 nan 8.270 nan 0.000 0.452 461 Q N -1.360 118.461 119.800 0.035 0.000 2.329 461 Q HA 0.112 4.452 4.340 0.000 0.000 0.208 461 Q C 1.448 177.471 176.000 0.039 0.000 0.934 461 Q CA 0.215 56.046 55.803 0.047 0.000 0.951 461 Q CB 0.227 29.005 28.738 0.066 0.000 1.017 461 Q HN 0.020 nan 8.270 nan 0.000 0.490 462 S N 0.597 116.315 115.700 0.030 0.000 2.399 462 S HA -0.047 4.423 4.470 0.000 0.000 0.231 462 S C 0.746 175.364 174.600 0.030 0.000 1.022 462 S CA 0.316 58.532 58.200 0.027 0.000 0.983 462 S CB -0.030 63.183 63.200 0.021 0.000 0.803 462 S HN 0.463 nan 8.310 nan 0.000 0.480 463 I N 2.611 123.198 120.570 0.030 0.000 2.371 463 I HA 0.166 4.337 4.170 0.000 0.000 0.290 463 I C 0.261 176.402 176.117 0.040 0.000 1.028 463 I CA -0.410 60.908 61.300 0.031 0.000 1.345 463 I CB 0.855 38.870 38.000 0.025 0.000 1.407 463 I HN 0.161 nan 8.210 nan 0.000 0.501 464 D N 4.616 125.043 120.400 0.046 0.000 2.531 464 D HA -0.082 4.558 4.640 0.000 0.000 0.239 464 D C 1.251 177.585 176.300 0.056 0.000 1.144 464 D CA 0.255 54.290 54.000 0.059 0.000 0.869 464 D CB 0.988 41.830 40.800 0.069 0.000 1.160 464 D HN 0.716 nan 8.370 nan 0.000 0.484 465 S N 4.400 120.140 115.700 0.068 0.000 2.420 465 S HA -0.222 4.248 4.470 0.000 0.000 0.237 465 S C 1.734 176.367 174.600 0.056 0.000 1.023 465 S CA 0.705 58.947 58.200 0.069 0.000 0.991 465 S CB -0.059 63.202 63.200 0.100 0.000 0.792 465 S HN 0.559 nan 8.310 nan 0.000 0.488 466 R N 0.685 121.218 120.500 0.055 0.000 2.152 466 R HA 0.134 4.474 4.340 0.000 0.000 0.232 466 R C 1.794 178.104 176.300 0.016 0.000 1.117 466 R CA 1.243 57.360 56.100 0.029 0.000 0.981 466 R CB -0.439 29.869 30.300 0.013 0.000 0.870 466 R HN 0.471 nan 8.270 nan 0.000 0.451 467 L N 0.068 121.306 121.223 0.026 0.000 2.529 467 L HA 0.177 4.517 4.340 0.000 0.000 0.223 467 L C 0.467 177.358 176.870 0.035 0.000 1.113 467 L CA -0.055 54.801 54.840 0.027 0.000 0.861 467 L CB 0.201 42.277 42.059 0.028 0.000 1.012 467 L HN 0.035 nan 8.230 nan 0.000 0.461 468 I N 0.218 120.806 120.570 0.030 0.000 2.396 468 I HA 0.212 4.382 4.170 0.000 0.000 0.292 468 I C -0.464 175.667 176.117 0.023 0.000 0.999 468 I CA -0.329 60.990 61.300 0.031 0.000 1.310 468 I CB 1.715 39.719 38.000 0.006 0.000 1.404 468 I HN -0.294 nan 8.210 nan 0.000 0.496 469 V N 4.881 124.830 119.914 0.058 0.000 2.604 469 V HA 0.319 4.440 4.120 0.000 0.000 0.305 469 V C -0.672 175.423 176.094 0.000 0.000 1.043 469 V CA -0.904 61.390 62.300 -0.010 0.000 0.888 469 V CB 1.948 33.746 31.823 -0.042 0.000 0.995 469 V HN 0.583 nan 8.190 nan 0.000 0.429 470 D N 2.531 122.871 120.400 -0.100 0.000 2.304 470 D HA 0.376 5.016 4.640 0.000 0.000 0.247 470 D C -0.924 175.321 176.300 -0.092 0.000 1.089 470 D CA 0.138 54.130 54.000 -0.013 0.000 0.910 470 D CB 1.130 41.932 40.800 0.004 0.000 1.199 470 D HN 0.466 nan 8.370 nan 0.000 0.426 471 W N 1.220 122.537 121.300 0.029 0.000 2.554 471 W HA 0.413 5.073 4.660 0.000 0.000 0.324 471 W C 0.196 176.815 176.519 0.167 0.000 1.018 471 W CA -0.833 56.583 57.345 0.119 0.000 1.243 471 W CB 1.278 30.724 29.460 -0.023 0.000 1.345 471 W HN -0.076 nan 8.180 nan 0.000 0.441 472 R N 2.942 123.712 120.500 0.450 0.000 2.476 472 R HA 0.540 4.880 4.340 0.000 0.000 0.305 472 R C -1.530 174.997 176.300 0.378 0.000 0.965 472 R CA -0.895 55.377 56.100 0.287 0.000 0.867 472 R CB 1.658 32.041 30.300 0.140 0.000 1.176 472 R HN 0.183 nan 8.270 nan 0.000 0.447 473 F N 3.001 122.888 119.950 -0.106 0.000 2.482 473 F HA 0.481 5.008 4.527 0.000 0.000 0.331 473 F C -0.400 175.341 175.800 -0.098 0.000 1.115 473 F CA -1.275 56.718 58.000 -0.011 0.000 0.955 473 F CB 1.107 40.025 39.000 -0.136 0.000 1.136 473 F HN 0.303 nan 8.300 nan 0.000 0.452 474 F N 1.529 121.633 119.950 0.257 0.000 2.426 474 F HA 0.655 5.183 4.527 0.000 0.000 0.348 474 F C 0.660 176.657 175.800 0.329 0.000 1.124 474 F CA -1.162 57.002 58.000 0.272 0.000 1.008 474 F CB 1.394 40.603 39.000 0.348 0.000 1.139 474 F HN 0.507 nan 8.300 nan 0.000 0.452 475 G N 2.393 111.431 108.800 0.397 0.000 2.434 475 G HA2 0.622 4.582 3.960 0.000 0.000 0.330 475 G HA3 0.622 4.582 3.960 0.000 0.000 0.330 475 G C -0.799 174.295 174.900 0.323 0.000 1.155 475 G CA -1.108 44.221 45.100 0.381 0.000 0.917 475 G HN 0.701 nan 8.290 nan 0.000 0.493 476 R N -0.519 120.175 120.500 0.324 0.000 2.459 476 R HA 0.630 4.970 4.340 0.000 0.000 0.281 476 R C -0.918 175.477 176.300 0.158 0.000 1.050 476 R CA -0.482 55.721 56.100 0.171 0.000 1.055 476 R CB 0.980 31.380 30.300 0.167 0.000 1.045 476 R HN 0.258 nan 8.270 nan 0.000 0.495 477 T N 2.445 117.049 114.554 0.083 0.000 2.809 477 T HA 0.109 4.459 4.350 0.000 0.000 0.284 477 T C -0.720 174.050 174.700 0.116 0.000 0.992 477 T CA -0.851 61.349 62.100 0.165 0.000 0.957 477 T CB 1.157 70.191 68.868 0.278 0.000 0.942 477 T HN 0.700 nan 8.240 nan 0.000 0.439 478 E N 4.132 124.410 120.200 0.130 0.000 2.384 478 E HA 0.196 4.546 4.350 0.000 0.000 0.266 478 E C -2.591 174.090 176.600 0.134 0.000 1.012 478 E CA -1.815 54.652 56.400 0.112 0.000 0.901 478 E CB 0.263 30.022 29.700 0.099 0.000 0.967 478 E HN 0.183 nan 8.360 nan 0.000 0.435 479 P HA 0.159 nan 4.420 nan 0.000 0.276 479 P C -0.852 176.627 177.300 0.298 0.000 1.243 479 P CA -0.102 63.139 63.100 0.234 0.000 0.768 479 P CB 0.663 32.494 31.700 0.217 0.000 0.856 480 K N 2.394 122.948 120.400 0.257 0.000 2.422 480 K HA 0.170 4.490 4.320 0.000 0.000 0.251 480 K C 0.883 177.399 176.600 -0.140 0.000 0.933 480 K CA -0.686 55.682 56.287 0.136 0.000 0.798 480 K CB 2.507 35.014 32.500 0.011 0.000 1.238 480 K HN 0.433 nan 8.250 nan 0.000 0.428 481 E N 1.922 121.871 120.200 -0.419 0.000 2.130 481 E HA -0.232 4.118 4.350 0.000 0.000 0.196 481 E C 1.186 177.535 176.600 -0.418 0.000 0.998 481 E CA 1.615 57.493 56.400 -0.870 0.000 0.806 481 E CB 0.448 29.838 29.700 -0.517 0.000 0.738 481 E HN 0.534 nan 8.360 nan 0.000 0.459 482 E N 0.492 120.558 120.200 -0.223 0.000 2.274 482 E HA -0.111 4.240 4.350 0.000 0.000 0.194 482 E C 0.045 176.587 176.600 -0.097 0.000 0.996 482 E CA 0.365 56.681 56.400 -0.140 0.000 0.840 482 E CB -0.306 29.328 29.700 -0.109 0.000 0.772 482 E HN 0.088 nan 8.360 nan 0.000 0.491 483 N N 1.938 120.582 118.700 -0.094 0.000 2.411 483 N HA 0.179 4.919 4.740 0.000 0.000 0.259 483 N C -0.645 174.931 175.510 0.110 0.000 1.103 483 N CA 0.149 53.204 53.050 0.009 0.000 0.954 483 N CB 1.231 39.724 38.487 0.010 0.000 1.085 483 N HN 0.104 nan 8.380 nan 0.000 0.485 484 K N 1.263 121.776 120.400 0.188 0.000 2.426 484 K HA 0.438 4.758 4.320 0.000 0.000 0.251 484 K C -1.106 175.626 176.600 0.219 0.000 0.941 484 K CA -0.888 55.517 56.287 0.197 0.000 0.808 484 K CB 2.333 34.959 32.500 0.210 0.000 1.265 484 K HN 0.202 nan 8.250 nan 0.000 0.432 485 L N 4.485 125.761 121.223 0.088 0.000 2.294 485 L HA 0.539 4.879 4.340 0.000 0.000 0.283 485 L C -1.186 175.484 176.870 -0.333 0.000 1.015 485 L CA -0.120 54.573 54.840 -0.246 0.000 0.831 485 L CB 0.389 42.309 42.059 -0.232 0.000 1.217 485 L HN 0.646 nan 8.230 nan 0.000 0.420 486 W N 3.484 124.412 121.300 -0.620 0.000 3.021 486 W HA 0.671 5.331 4.660 0.000 0.000 0.337 486 W C -2.032 173.975 176.519 -0.854 0.000 1.171 486 W CA -1.236 55.776 57.345 -0.554 0.000 1.060 486 W CB 0.825 30.162 29.460 -0.205 0.000 1.472 486 W HN 0.297 nan 8.180 nan 0.000 0.594 487 F N 1.213 121.312 119.950 0.248 0.000 2.547 487 F HA 0.341 4.868 4.527 0.000 0.000 0.316 487 F C 0.648 176.576 175.800 0.214 0.000 1.121 487 F CA -0.978 57.057 58.000 0.058 0.000 0.911 487 F CB 2.072 41.095 39.000 0.040 0.000 1.179 487 F HN 0.243 nan 8.300 nan 0.000 0.443 488 S N 1.205 117.057 115.700 0.253 0.000 2.564 488 S HA 0.099 4.569 4.470 0.000 0.000 0.278 488 S C 0.804 175.537 174.600 0.222 0.000 1.333 488 S CA -0.462 57.897 58.200 0.264 0.000 1.048 488 S CB 0.426 63.702 63.200 0.126 0.000 0.900 488 S HN 0.699 nan 8.310 nan 0.000 0.505 489 D N 3.411 123.930 120.400 0.198 0.000 2.354 489 D HA 0.077 4.717 4.640 0.000 0.000 0.209 489 D C 1.217 177.573 176.300 0.093 0.000 1.015 489 D CA 0.680 54.757 54.000 0.127 0.000 0.867 489 D CB 0.096 40.958 40.800 0.104 0.000 0.933 489 D HN 0.485 nan 8.370 nan 0.000 0.520 490 K N -0.832 119.629 120.400 0.102 0.000 2.273 490 K HA 0.240 4.560 4.320 0.000 0.000 0.206 490 K C 0.171 176.812 176.600 0.068 0.000 1.072 490 K CA -0.221 56.112 56.287 0.076 0.000 0.953 490 K CB 0.591 33.137 32.500 0.077 0.000 1.043 490 K HN -0.061 nan 8.250 nan 0.000 0.477 491 I N 1.779 122.394 120.570 0.075 0.000 2.519 491 I HA 0.028 4.198 4.170 0.000 0.000 0.287 491 I C 0.218 176.369 176.117 0.057 0.000 1.047 491 I CA 0.219 61.553 61.300 0.057 0.000 1.381 491 I CB 1.549 39.577 38.000 0.046 0.000 1.417 491 I HN 0.198 nan 8.210 nan 0.000 0.540 492 T N 1.210 115.792 114.554 0.047 0.000 2.908 492 T HA 0.636 4.986 4.350 0.000 0.000 0.290 492 T C -0.509 174.222 174.700 0.052 0.000 1.034 492 T CA -0.994 61.137 62.100 0.051 0.000 1.010 492 T CB 1.704 70.597 68.868 0.040 0.000 1.068 492 T HN 0.531 nan 8.240 nan 0.000 0.481 493 D N 0.987 121.431 120.400 0.074 0.000 2.440 493 D HA 0.409 5.049 4.640 0.000 0.000 0.269 493 D C 1.613 177.948 176.300 0.058 0.000 1.249 493 D CA -0.410 53.642 54.000 0.087 0.000 1.055 493 D CB 0.049 40.940 40.800 0.152 0.000 1.104 493 D HN 0.658 nan 8.370 nan 0.000 0.561 494 A N -1.265 121.577 122.820 0.037 0.000 2.125 494 A HA -0.122 4.198 4.320 0.000 0.000 0.219 494 A C 1.021 178.422 177.584 -0.306 0.000 1.156 494 A CA 0.877 52.835 52.037 -0.133 0.000 0.671 494 A CB -0.936 17.948 19.000 -0.192 0.000 0.794 494 A HN 0.547 nan 8.150 nan 0.000 0.459 495 Y N -0.524 119.800 120.300 0.041 0.000 2.720 495 Y HA 0.282 4.832 4.550 0.000 0.000 0.277 495 Y C 0.369 176.286 175.900 0.029 0.000 1.144 495 Y CA -0.541 57.586 58.100 0.044 0.000 1.221 495 Y CB -0.185 38.297 38.460 0.036 0.000 1.163 495 Y HN 0.336 nan 8.280 nan 0.000 0.537 499 Q N 4.736 124.629 119.800 0.157 0.000 2.289 499 Q HA 0.265 4.605 4.340 0.000 0.000 0.273 499 Q C -2.061 174.054 176.000 0.190 0.000 1.029 499 Q CA -1.162 54.717 55.803 0.127 0.000 0.896 499 Q CB 0.551 29.304 28.738 0.024 0.000 1.182 499 Q HN 0.167 nan 8.270 nan 0.000 0.385 500 P HA -0.042 nan 4.420 nan 0.000 0.262 500 P C -1.010 175.871 177.300 -0.697 0.000 1.182 500 P CA 0.247 63.118 63.100 -0.382 0.000 0.761 500 P CB 0.670 32.242 31.700 -0.214 0.000 0.795 501 T N 3.586 117.456 114.554 -1.141 0.000 2.916 501 T HA 0.495 4.845 4.350 0.000 0.000 0.298 501 T C -0.450 173.545 174.700 -1.175 0.000 1.031 501 T CA -0.197 61.196 62.100 -1.178 0.000 0.993 501 T CB 0.732 68.568 68.868 -1.721 0.000 1.045 501 T HN 0.106 nan 8.240 nan 0.000 0.454 502 F N 1.743 121.410 119.950 -0.471 0.000 2.422 502 F HA 0.486 5.013 4.527 0.000 0.000 0.333 502 F C 0.676 176.441 175.800 -0.059 0.000 1.095 502 F CA -0.628 57.232 58.000 -0.234 0.000 1.038 502 F CB 1.201 40.115 39.000 -0.143 0.000 1.156 502 F HN 0.402 nan 8.300 nan 0.000 0.483 503 D N 4.058 124.642 120.400 0.307 0.000 2.375 503 D HA 0.194 4.834 4.640 0.000 0.000 0.259 503 D C -1.744 174.691 176.300 0.226 0.000 1.235 503 D CA -0.097 54.064 54.000 0.267 0.000 0.924 503 D CB 0.573 41.554 40.800 0.302 0.000 1.143 503 D HN 0.309 nan 8.370 nan 0.000 0.529 504 F N 2.795 122.745 119.950 -0.001 0.000 2.556 504 F HA 0.634 5.161 4.527 0.000 0.000 0.314 504 F C -1.072 174.617 175.800 -0.184 0.000 1.106 504 F CA -0.789 57.140 58.000 -0.118 0.000 0.911 504 F CB 1.586 40.453 39.000 -0.221 0.000 1.190 504 F HN 0.102 nan 8.300 nan 0.000 0.448 505 R N 4.272 124.216 120.500 -0.927 0.000 2.651 505 R HA 0.493 4.834 4.340 0.000 0.000 0.278 505 R C -1.777 173.904 176.300 -1.033 0.000 1.010 505 R CA -0.699 54.983 56.100 -0.696 0.000 0.896 505 R CB 1.081 31.193 30.300 -0.314 0.000 1.211 505 R HN 0.580 nan 8.270 nan 0.000 0.456 506 F N 4.978 124.699 119.950 -0.382 0.000 2.590 506 F HA 0.175 4.703 4.527 0.000 0.000 0.389 506 F C -1.369 174.313 175.800 -0.198 0.000 1.049 506 F CA -0.643 57.228 58.000 -0.215 0.000 1.199 506 F CB 0.301 39.288 39.000 -0.022 0.000 1.058 506 F HN 0.339 nan 8.300 nan 0.000 0.556 507 P HA 0.168 nan 4.420 nan 0.000 0.271 507 P C -0.665 176.649 177.300 0.023 0.000 1.218 507 P CA -0.311 62.770 63.100 -0.032 0.000 0.780 507 P CB 0.722 32.414 31.700 -0.013 0.000 0.901 508 A N 2.258 125.079 122.820 0.002 0.000 2.313 508 A HA 0.646 4.966 4.320 0.000 0.000 0.261 508 A C 0.993 178.592 177.584 0.025 0.000 1.090 508 A CA 0.646 52.690 52.037 0.012 0.000 0.807 508 A CB -0.769 18.230 19.000 -0.001 0.000 1.055 508 A HN 0.819 nan 8.150 nan 0.000 0.492 509 G N 0.040 108.856 108.800 0.027 0.000 2.503 509 G HA2 -0.235 3.725 3.960 0.000 0.000 0.235 509 G HA3 -0.235 3.725 3.960 0.000 0.000 0.235 509 G C 1.011 175.941 174.900 0.050 0.000 1.179 509 G CA 0.682 45.803 45.100 0.035 0.000 0.944 509 G HN 0.984 nan 8.290 nan 0.000 0.580 510 R N -0.236 120.299 120.500 0.059 0.000 2.094 510 R HA -0.125 4.216 4.340 0.000 0.000 0.239 510 R C 2.860 179.218 176.300 0.097 0.000 1.137 510 R CA 3.005 59.151 56.100 0.076 0.000 0.943 510 R CB -1.019 29.327 30.300 0.076 0.000 0.850 510 R HN 0.654 nan 8.270 nan 0.000 0.433 511 T N 0.185 114.800 114.554 0.102 0.000 2.624 511 T HA -0.170 4.181 4.350 0.000 0.000 0.268 511 T C 1.955 176.712 174.700 0.096 0.000 1.041 511 T CA 2.026 64.202 62.100 0.126 0.000 1.159 511 T CB -0.295 68.666 68.868 0.155 0.000 0.863 511 T HN 0.328 nan 8.240 nan 0.000 0.434 512 S N 0.760 116.500 115.700 0.066 0.000 2.368 512 S HA -0.068 4.402 4.470 0.000 0.000 0.224 512 S C 2.020 176.636 174.600 0.028 0.000 1.029 512 S CA 1.225 59.436 58.200 0.018 0.000 0.988 512 S CB -0.259 62.944 63.200 0.006 0.000 0.838 512 S HN 0.528 nan 8.310 nan 0.000 0.462 513 K N 1.316 121.747 120.400 0.052 0.000 2.063 513 K HA -0.132 4.188 4.320 0.000 0.000 0.208 513 K C 1.985 178.648 176.600 0.105 0.000 1.048 513 K CA 1.486 57.812 56.287 0.066 0.000 0.928 513 K CB -0.063 32.477 32.500 0.067 0.000 0.713 513 K HN 0.363 nan 8.250 nan 0.000 0.442 514 E N -0.469 119.818 120.200 0.145 0.000 2.112 514 E HA -0.082 4.268 4.350 0.000 0.000 0.190 514 E C 1.961 178.679 176.600 0.196 0.000 0.979 514 E CA 0.622 57.174 56.400 0.254 0.000 0.814 514 E CB -0.015 29.863 29.700 0.295 0.000 0.762 514 E HN 0.442 nan 8.360 nan 0.000 0.460 515 A N 1.479 124.375 122.820 0.126 0.000 1.917 515 A HA -0.278 4.042 4.320 0.000 0.000 0.219 515 A C 2.056 179.711 177.584 0.117 0.000 1.182 515 A CA 2.015 54.111 52.037 0.098 0.000 0.633 515 A CB -0.405 18.618 19.000 0.037 0.000 0.819 515 A HN 0.160 nan 8.150 nan 0.000 0.448 516 E N 0.438 120.692 120.200 0.090 0.000 2.158 516 E HA -0.033 4.317 4.350 0.000 0.000 0.191 516 E C 0.247 176.843 176.600 -0.006 0.000 0.982 516 E CA 0.412 56.868 56.400 0.094 0.000 0.823 516 E CB -0.123 29.606 29.700 0.049 0.000 0.766 516 E HN 0.535 nan 8.360 nan 0.000 0.468 527 A N 2.078 124.650 122.820 -0.413 0.000 2.121 527 A HA 0.165 4.485 4.320 0.000 0.000 0.218 527 A C 1.848 179.321 177.584 -0.184 0.000 1.154 527 A CA 1.364 53.207 52.037 -0.324 0.000 0.679 527 A CB -0.580 18.252 19.000 -0.280 0.000 0.795 527 A HN 0.626 nan 8.150 nan 0.000 0.458 528 K N -0.736 119.601 120.400 -0.106 0.000 2.400 528 K HA 0.150 4.470 4.320 0.000 0.000 0.194 528 K C 0.865 177.483 176.600 0.031 0.000 1.033 528 K CA 0.266 56.540 56.287 -0.023 0.000 1.021 528 K CB 0.187 32.706 32.500 0.031 0.000 0.808 528 K HN 0.368 nan 8.250 nan 0.000 0.505 529 I N -0.394 120.219 120.570 0.072 0.000 3.172 529 I HA 0.172 4.343 4.170 0.000 0.000 0.278 529 I C 1.034 177.182 176.117 0.051 0.000 1.174 529 I CA 0.481 61.860 61.300 0.132 0.000 1.445 529 I CB -0.015 38.201 38.000 0.360 0.000 1.175 529 I HN 0.069 nan 8.210 nan 0.000 0.447 530 G N -0.524 108.256 108.800 -0.033 0.000 2.338 530 G HA2 0.464 4.424 3.960 0.000 0.000 0.295 530 G HA3 0.464 4.424 3.960 0.000 0.000 0.295 530 G C -0.687 174.079 174.900 -0.225 0.000 1.461 530 G CA -0.194 44.857 45.100 -0.082 0.000 0.817 530 G HN 0.276 nan 8.290 nan 0.000 0.556 531 G N -0.910 107.750 108.800 -0.234 0.000 2.507 531 G HA2 0.558 4.518 3.960 0.000 0.000 0.271 531 G HA3 0.558 4.518 3.960 0.000 0.000 0.271 531 G C -0.213 174.538 174.900 -0.248 0.000 1.189 531 G CA -0.516 44.358 45.100 -0.378 0.000 0.859 531 G HN 0.455 nan 8.290 nan 0.000 0.542 532 F N -0.255 119.613 119.950 -0.136 0.000 2.563 532 F HA 0.136 4.663 4.527 0.000 0.000 0.363 532 F C 0.782 176.524 175.800 -0.096 0.000 1.123 532 F CA -0.780 57.133 58.000 -0.145 0.000 1.307 532 F CB 0.605 39.508 39.000 -0.161 0.000 1.115 532 F HN 0.185 nan 8.300 nan 0.000 0.592 533 L N 6.477 127.771 121.223 0.117 0.000 2.433 533 L HA 0.363 4.703 4.340 0.000 0.000 0.275 533 L C -2.370 174.525 176.870 0.041 0.000 1.128 533 L CA -1.905 52.967 54.840 0.052 0.000 0.875 533 L CB -0.143 41.931 42.059 0.025 0.000 1.171 533 L HN 0.286 nan 8.230 nan 0.000 0.463 534 P HA 0.163 nan 4.420 nan 0.000 0.261 534 P C 0.667 177.972 177.300 0.010 0.000 1.173 534 P CA 1.188 64.301 63.100 0.021 0.000 0.760 534 P CB 0.550 32.261 31.700 0.019 0.000 0.783 535 G N 2.015 110.816 108.800 0.001 0.000 2.217 535 G HA2 -0.224 3.736 3.960 0.000 0.000 0.246 535 G HA3 -0.224 3.736 3.960 0.000 0.000 0.246 535 G C 0.396 175.307 174.900 0.018 0.000 0.990 535 G CA 0.136 45.239 45.100 0.006 0.000 0.627 535 G HN 0.526 nan 8.290 nan 0.000 0.522 536 S N 0.979 116.677 115.700 -0.002 0.000 2.272 536 S HA 0.560 5.031 4.470 0.000 0.000 0.207 536 S C 0.359 174.856 174.600 -0.173 0.000 1.336 536 S CA -0.525 57.668 58.200 -0.011 0.000 1.259 536 S CB 0.359 63.557 63.200 -0.004 0.000 1.130 536 S HN 0.462 nan 8.310 nan 0.000 0.444 537 L N 2.038 123.153 121.223 -0.180 0.000 2.453 537 L HA 0.389 4.730 4.340 0.000 0.000 0.261 537 L C -2.254 174.337 176.870 -0.464 0.000 1.179 537 L CA -2.363 52.254 54.840 -0.371 0.000 0.813 537 L CB -0.006 41.905 42.059 -0.246 0.000 1.110 537 L HN 0.086 nan 8.230 nan 0.000 0.466 538 P HA 0.040 nan 4.420 nan 0.000 0.267 538 P C -1.365 175.716 177.300 -0.364 0.000 1.205 538 P CA -0.018 62.715 63.100 -0.612 0.000 0.765 538 P CB 0.470 31.713 31.700 -0.761 0.000 0.828 539 Q N 1.580 121.205 119.800 -0.291 0.000 2.472 539 Q HA 0.447 4.787 4.340 0.000 0.000 0.281 539 Q C -1.221 174.640 176.000 -0.233 0.000 0.997 539 Q CA -0.813 54.897 55.803 -0.154 0.000 0.828 539 Q CB 0.560 29.285 28.738 -0.022 0.000 1.443 539 Q HN 0.096 nan 8.270 nan 0.000 0.390 543 P HA 0.101 nan 4.420 nan 0.000 0.262 543 P C 0.861 178.114 177.300 -0.079 0.000 1.199 543 P CA 1.153 64.322 63.100 0.114 0.000 0.763 543 P CB 0.247 32.022 31.700 0.126 0.000 0.790 544 G N 2.407 111.151 108.800 -0.094 0.000 2.213 544 G HA2 -0.289 3.671 3.960 0.000 0.000 0.226 544 G HA3 -0.289 3.671 3.960 0.000 0.000 0.226 544 G C 0.648 175.484 174.900 -0.108 0.000 0.992 544 G CA 0.104 45.095 45.100 -0.182 0.000 0.632 544 G HN 0.514 nan 8.290 nan 0.000 0.511 545 L N 1.308 122.485 121.223 -0.077 0.000 2.131 545 L HA 0.207 4.547 4.340 0.000 0.000 0.210 545 L C 2.835 179.611 176.870 -0.156 0.000 1.092 545 L CA 2.483 57.263 54.840 -0.100 0.000 0.759 545 L CB -0.406 41.612 42.059 -0.067 0.000 0.903 545 L HN 0.612 nan 8.230 nan 0.000 0.435 546 V N 0.013 119.858 119.914 -0.115 0.000 2.720 546 V HA -0.188 3.932 4.120 0.000 0.000 0.256 546 V C 1.691 177.706 176.094 -0.131 0.000 1.082 546 V CA 1.280 63.502 62.300 -0.129 0.000 1.101 546 V CB -0.459 31.337 31.823 -0.047 0.000 0.693 546 V HN 0.527 nan 8.190 nan 0.000 0.479 547 L N -0.356 120.832 121.223 -0.058 0.000 3.858 547 L HA -0.279 4.061 4.340 0.000 0.000 0.425 547 L C 0.533 177.506 176.870 0.172 0.000 1.177 547 L CA 1.142 56.001 54.840 0.032 0.000 0.943 547 L CB -2.853 39.231 42.059 0.041 0.000 1.861 547 L HN 0.566 nan 8.230 nan 0.000 0.985 548 H N -0.352 118.827 119.070 0.181 0.000 2.577 548 H HA 0.329 4.885 4.556 0.000 0.000 0.306 548 H C 0.640 176.121 175.328 0.255 0.000 1.109 548 H CA -1.054 55.154 56.048 0.266 0.000 1.063 548 H CB 0.438 30.445 29.762 0.408 0.000 1.535 548 H HN 0.233 nan 8.280 nan 0.000 0.532 549 L N 1.649 123.018 121.223 0.244 0.000 2.513 549 L HA 0.209 4.549 4.340 0.000 0.000 0.272 549 L C 0.569 177.572 176.870 0.222 0.000 1.187 549 L CA 0.652 55.583 54.840 0.152 0.000 0.895 549 L CB 0.251 42.352 42.059 0.069 0.000 1.147 549 L HN 0.270 nan 8.230 nan 0.000 0.483 550 G N 1.904 110.853 108.800 0.249 0.000 2.733 550 G HA2 0.569 4.529 3.960 0.000 0.000 0.288 550 G HA3 0.569 4.529 3.960 0.000 0.000 0.288 550 G C 0.298 175.305 174.900 0.179 0.000 1.373 550 G CA -0.313 44.939 45.100 0.255 0.000 0.895 550 G HN 1.302 nan 8.290 nan 0.000 0.479 551 G N -1.236 107.637 108.800 0.122 0.000 2.268 551 G HA2 -0.254 3.707 3.960 0.000 0.000 0.240 551 G HA3 -0.254 3.707 3.960 0.000 0.000 0.240 551 G C 1.736 176.702 174.900 0.110 0.000 1.010 551 G CA 1.435 46.618 45.100 0.138 0.000 0.618 551 G HN 2.035 nan 8.290 nan 0.000 0.516 552 T N -0.776 113.813 114.554 0.058 0.000 2.721 552 T HA -0.115 4.235 4.350 0.000 0.000 0.268 552 T C 1.104 175.873 174.700 0.116 0.000 1.038 552 T CA 2.332 64.483 62.100 0.084 0.000 1.145 552 T CB -0.508 68.422 68.868 0.103 0.000 0.858 552 T HN 1.735 nan 8.240 nan 0.000 0.459 553 H N 0.251 119.400 119.070 0.132 0.000 2.488 553 H HA 0.603 5.160 4.556 0.000 0.000 0.237 553 H C -0.012 175.367 175.328 0.085 0.000 1.395 553 H CA -1.303 54.801 56.048 0.094 0.000 1.491 553 H CB 0.230 30.016 29.762 0.040 0.000 1.567 553 H HN 0.512 nan 8.280 nan 0.000 0.508 557 F N -0.142 119.909 119.950 0.168 0.000 2.259 557 F HA 0.202 4.729 4.527 0.000 0.000 0.298 557 F C 1.237 177.162 175.800 0.208 0.000 1.088 557 F CA 1.185 59.289 58.000 0.174 0.000 1.358 557 F CB 0.533 39.591 39.000 0.096 0.000 1.040 557 F HN 0.305 nan 8.300 nan 0.000 0.505 558 D N -0.225 120.322 120.400 0.245 0.000 2.788 558 D HA 0.041 4.681 4.640 0.000 0.000 0.247 558 D C 0.523 176.643 176.300 -0.299 0.000 1.236 558 D CA -0.131 53.849 54.000 -0.032 0.000 0.898 558 D CB 1.672 42.488 40.800 0.027 0.000 1.401 558 D HN 0.153 nan 8.370 nan 0.000 0.549 559 E N 3.280 122.981 120.200 -0.832 0.000 2.049 559 E HA -0.240 4.110 4.350 0.000 0.000 0.198 559 E C 1.402 177.834 176.600 -0.280 0.000 1.007 559 E CA 1.337 57.261 56.400 -0.793 0.000 0.809 559 E CB 0.356 29.479 29.700 -0.962 0.000 0.749 559 E HN 0.393 nan 8.360 nan 0.000 0.450 560 K N -0.130 120.150 120.400 -0.199 0.000 2.021 560 K HA -0.109 4.211 4.320 0.000 0.000 0.205 560 K C 2.092 178.665 176.600 -0.044 0.000 1.047 560 K CA 1.348 57.585 56.287 -0.083 0.000 0.943 560 K CB 0.130 32.595 32.500 -0.058 0.000 0.725 560 K HN 0.047 nan 8.250 nan 0.000 0.439 561 E N 0.835 121.010 120.200 -0.041 0.000 2.150 561 E HA -0.159 4.191 4.350 0.000 0.000 0.193 561 E C 0.777 177.376 176.600 -0.002 0.000 0.985 561 E CA 0.998 57.394 56.400 -0.008 0.000 0.814 561 E CB -0.024 29.680 29.700 0.007 0.000 0.752 561 E HN 0.437 nan 8.360 nan 0.000 0.466 562 D N 0.360 120.753 120.400 -0.011 0.000 2.363 562 D HA 0.046 4.686 4.640 0.000 0.000 0.214 562 D C -0.524 175.726 176.300 -0.084 0.000 1.093 562 D CA -0.158 53.833 54.000 -0.016 0.000 0.837 562 D CB -0.156 40.673 40.800 0.048 0.000 0.948 562 D HN 0.103 nan 8.370 nan 0.000 0.507 563 N N 0.626 119.286 118.700 -0.067 0.000 2.642 563 N HA -0.193 4.547 4.740 0.000 0.000 0.269 563 N C -0.176 175.312 175.510 -0.038 0.000 1.073 563 N CA 0.598 53.618 53.050 -0.050 0.000 0.748 563 N CB -1.452 36.949 38.487 -0.144 0.000 0.894 563 N HN 0.408 nan 8.380 nan 0.000 0.548 564 C N -3.363 115.960 119.300 0.039 0.000 3.336 564 C HA 0.793 5.253 4.460 0.000 0.000 0.352 564 C C 1.246 176.381 174.990 0.241 0.000 1.567 564 C CA -0.506 58.589 59.018 0.128 0.000 1.328 564 C CB 1.510 29.337 27.740 0.144 0.000 1.922 564 C HN 0.508 nan 8.230 nan 0.000 0.439 565 C N 0.160 119.648 119.300 0.313 0.000 3.480 565 C HA 0.525 4.985 4.460 0.000 0.000 0.480 565 C C 0.468 175.605 174.990 0.244 0.000 1.410 565 C CA 0.580 59.789 59.018 0.318 0.000 2.172 565 C CB -0.259 27.596 27.740 0.192 0.000 3.162 565 C HN 0.967 nan 8.230 nan 0.000 0.635 566 V N 1.208 121.170 119.914 0.080 0.000 2.962 566 V HA 0.706 4.826 4.120 0.000 0.000 0.313 566 V C -0.818 175.012 176.094 -0.440 0.000 1.099 566 V CA -0.632 61.479 62.300 -0.316 0.000 0.971 566 V CB 1.549 33.278 31.823 -0.157 0.000 1.028 566 V HN 0.377 nan 8.190 nan 0.000 0.430 567 N N 0.947 119.189 118.700 -0.764 0.000 2.443 567 N HA 0.262 5.002 4.740 0.000 0.000 0.294 567 N C 1.035 176.374 175.510 -0.284 0.000 1.289 567 N CA 0.234 52.997 53.050 -0.479 0.000 0.966 567 N CB -0.296 37.870 38.487 -0.534 0.000 1.122 567 N HN 0.918 nan 8.380 nan 0.000 0.569 568 T N -4.632 109.776 114.554 -0.245 0.000 3.163 568 T HA 0.046 4.397 4.350 0.000 0.000 0.260 568 T C -0.060 174.528 174.700 -0.186 0.000 1.156 568 T CA 0.525 62.489 62.100 -0.226 0.000 1.072 568 T CB -0.392 68.346 68.868 -0.217 0.000 0.937 568 T HN 0.442 nan 8.240 nan 0.000 0.528 569 D N 0.767 121.036 120.400 -0.218 0.000 2.369 569 D HA 0.190 4.830 4.640 0.000 0.000 0.211 569 D C 0.637 176.947 176.300 0.017 0.000 1.077 569 D CA 0.158 54.076 54.000 -0.137 0.000 0.842 569 D CB 0.335 40.933 40.800 -0.336 0.000 0.947 569 D HN 0.370 nan 8.370 nan 0.000 0.509 570 S N 0.058 115.711 115.700 -0.077 0.000 3.315 570 S HA -0.219 4.251 4.470 0.000 0.000 0.283 570 S C 0.597 175.155 174.600 -0.069 0.000 1.279 570 S CA 0.221 58.416 58.200 -0.008 0.000 0.984 570 S CB -1.468 61.821 63.200 0.148 0.000 1.184 570 S HN 0.414 nan 8.310 nan 0.000 0.653 571 R N 1.210 121.541 120.500 -0.281 0.000 2.590 571 R HA 0.317 4.658 4.340 0.000 0.000 0.274 571 R C 0.144 176.135 176.300 -0.515 0.000 1.061 571 R CA -0.011 55.715 56.100 -0.623 0.000 1.081 571 R CB 0.425 30.347 30.300 -0.630 0.000 0.984 571 R HN 0.180 nan 8.270 nan 0.000 0.448 572 V N 5.964 125.609 119.914 -0.447 0.000 2.572 572 V HA 0.025 4.146 4.120 0.000 0.000 0.291 572 V C 0.171 176.189 176.094 -0.128 0.000 1.039 572 V CA 0.137 62.254 62.300 -0.304 0.000 1.055 572 V CB 0.228 31.830 31.823 -0.368 0.000 0.969 572 V HN 0.515 nan 8.190 nan 0.000 0.482 573 F N 3.463 123.448 119.950 0.059 0.000 2.602 573 F HA 0.431 4.958 4.527 0.000 0.000 0.367 573 F C 1.578 177.542 175.800 0.275 0.000 1.126 573 F CA 1.600 59.672 58.000 0.120 0.000 1.321 573 F CB 0.243 39.302 39.000 0.098 0.000 1.094 573 F HN 0.771 nan 8.300 nan 0.000 0.594 574 G N 2.023 111.051 108.800 0.379 0.000 2.268 574 G HA2 -0.294 3.666 3.960 0.000 0.000 0.240 574 G HA3 -0.294 3.666 3.960 0.000 0.000 0.240 574 G C -0.083 174.812 174.900 -0.008 0.000 1.010 574 G CA -0.399 44.828 45.100 0.212 0.000 0.618 574 G HN 0.477 nan 8.290 nan 0.000 0.516 575 F N 1.287 121.275 119.950 0.063 0.000 2.469 575 F HA 0.497 5.024 4.527 0.000 0.000 0.332 575 F C 1.506 177.312 175.800 0.010 0.000 1.103 575 F CA -0.474 57.551 58.000 0.042 0.000 0.979 575 F CB 1.712 40.734 39.000 0.037 0.000 1.137 575 F HN 0.081 nan 8.300 nan 0.000 0.463 576 K N 0.066 120.592 120.400 0.211 0.000 2.418 576 K HA -0.009 4.311 4.320 0.000 0.000 0.195 576 K C 0.261 177.091 176.600 0.383 0.000 1.035 576 K CA 1.088 57.541 56.287 0.277 0.000 1.003 576 K CB -0.088 32.583 32.500 0.285 0.000 0.793 576 K HN 0.637 nan 8.250 nan 0.000 0.494 577 N N 0.191 119.059 118.700 0.281 0.000 2.116 577 N HA 0.062 4.802 4.740 0.000 0.000 0.230 577 N C -0.829 174.844 175.510 0.272 0.000 1.326 577 N CA -0.525 52.735 53.050 0.350 0.000 0.867 577 N CB 0.299 38.984 38.487 0.330 0.000 1.174 577 N HN 0.105 nan 8.380 nan 0.000 0.506 578 L N 1.192 122.365 121.223 -0.083 0.000 2.295 578 L HA 0.632 4.972 4.340 0.000 0.000 0.281 578 L C -1.603 174.986 176.870 -0.467 0.000 1.018 578 L CA -0.603 54.153 54.840 -0.141 0.000 0.841 578 L CB 0.184 42.106 42.059 -0.228 0.000 1.218 578 L HN 0.003 nan 8.230 nan 0.000 0.424 579 F N 4.689 124.584 119.950 -0.091 0.000 2.538 579 F HA 0.662 5.189 4.527 0.000 0.000 0.325 579 F C -0.313 175.360 175.800 -0.213 0.000 1.066 579 F CA -0.817 57.112 58.000 -0.119 0.000 0.946 579 F CB 1.642 40.610 39.000 -0.053 0.000 1.199 579 F HN 0.150 nan 8.300 nan 0.000 0.473 580 L N 1.289 122.499 121.223 -0.023 0.000 2.362 580 L HA 0.841 5.182 4.340 0.000 0.000 0.271 580 L C -0.180 176.704 176.870 0.023 0.000 1.002 580 L CA -0.766 53.985 54.840 -0.148 0.000 0.818 580 L CB 2.165 44.025 42.059 -0.332 0.000 1.298 580 L HN 0.789 nan 8.230 nan 0.000 0.420 581 G N 0.415 109.234 108.800 0.031 0.000 2.591 581 G HA2 0.776 4.736 3.960 0.000 0.000 0.306 581 G HA3 0.776 4.736 3.960 0.000 0.000 0.306 581 G C -0.644 174.369 174.900 0.188 0.000 1.334 581 G CA -0.209 45.003 45.100 0.186 0.000 0.981 581 G HN 0.957 nan 8.290 nan 0.000 0.491 582 G N -0.953 107.961 108.800 0.189 0.000 2.359 582 G HA2 0.130 4.090 3.960 0.000 0.000 0.303 582 G HA3 0.130 4.090 3.960 0.000 0.000 0.303 582 G C 0.817 175.784 174.900 0.112 0.000 1.293 582 G CA 0.121 45.312 45.100 0.151 0.000 0.964 582 G HN 1.169 nan 8.290 nan 0.000 0.531 583 C N 0.558 119.893 119.300 0.060 0.000 2.410 583 C HA 0.137 4.598 4.460 0.000 0.000 0.281 583 C C 3.117 178.087 174.990 -0.033 0.000 1.318 583 C CA 1.918 60.941 59.018 0.010 0.000 1.776 583 C CB -1.411 26.358 27.740 0.048 0.000 1.942 583 C HN 1.318 nan 8.230 nan 0.000 0.508 584 G N 1.428 110.130 108.800 -0.163 0.000 2.485 584 G HA2 -0.251 3.709 3.960 0.000 0.000 0.221 584 G HA3 -0.251 3.709 3.960 0.000 0.000 0.221 584 G C 1.389 175.949 174.900 -0.567 0.000 1.115 584 G CA 1.009 45.677 45.100 -0.719 0.000 0.751 584 G HN 0.592 nan 8.290 nan 0.000 0.567 585 N N 0.510 119.112 118.700 -0.163 0.000 2.244 585 N HA -0.020 4.721 4.740 0.000 0.000 0.183 585 N C 0.995 176.531 175.510 0.044 0.000 1.016 585 N CA 0.248 53.321 53.050 0.038 0.000 0.866 585 N CB -0.086 38.465 38.487 0.108 0.000 0.980 585 N HN 0.318 nan 8.380 nan 0.000 0.430 586 I N 3.201 123.801 120.570 0.050 0.000 2.581 586 I HA -0.007 4.163 4.170 0.000 0.000 0.285 586 I C -1.266 174.950 176.117 0.165 0.000 1.129 586 I CA -0.921 60.446 61.300 0.112 0.000 1.397 586 I CB 0.930 38.974 38.000 0.074 0.000 1.399 586 I HN -0.016 nan 8.210 nan 0.000 0.537 587 P HA 0.043 nan 4.420 nan 0.000 0.251 587 P C 0.173 177.557 177.300 0.140 0.000 1.223 587 P CA 0.325 63.492 63.100 0.112 0.000 0.796 587 P CB 0.095 31.825 31.700 0.049 0.000 1.068 588 T N -2.615 112.063 114.554 0.207 0.000 2.937 588 T HA 0.701 5.051 4.350 0.000 0.000 0.283 588 T C 0.052 174.856 174.700 0.174 0.000 1.012 588 T CA -0.987 61.208 62.100 0.157 0.000 0.997 588 T CB 1.359 70.289 68.868 0.104 0.000 1.136 588 T HN 0.017 nan 8.240 nan 0.000 0.551 589 A N 1.861 124.717 122.820 0.061 0.000 2.415 589 A HA 0.577 4.897 4.320 0.000 0.000 0.309 589 A C -0.510 177.014 177.584 -0.099 0.000 1.356 589 A CA -0.842 51.178 52.037 -0.029 0.000 0.998 589 A CB -1.181 17.836 19.000 0.030 0.000 1.145 589 A HN 0.798 nan 8.150 nan 0.000 0.545 590 Y N -0.430 119.780 120.300 -0.150 0.000 2.509 590 Y HA 0.738 5.289 4.550 0.000 0.000 0.341 590 Y C 0.869 176.657 175.900 -0.186 0.000 1.038 590 Y CA -0.727 57.109 58.100 -0.439 0.000 1.089 590 Y CB 1.407 39.425 38.460 -0.737 0.000 1.241 590 Y HN 0.310 nan 8.280 nan 0.000 0.468 591 G N 0.589 109.317 108.800 -0.120 0.000 2.641 591 G HA2 0.342 4.302 3.960 0.000 0.000 0.207 591 G HA3 0.342 4.302 3.960 0.000 0.000 0.207 591 G C 0.396 175.442 174.900 0.243 0.000 1.137 591 G CA 0.146 45.374 45.100 0.214 0.000 0.824 591 G HN 0.946 nan 8.290 nan 0.000 0.547 592 A N 1.049 123.813 122.820 -0.095 0.000 2.445 592 A HA 0.423 4.743 4.320 0.000 0.000 0.242 592 A C 0.091 177.549 177.584 -0.209 0.000 1.075 592 A CA -0.526 51.190 52.037 -0.536 0.000 0.777 592 A CB -0.154 18.485 19.000 -0.602 0.000 1.013 592 A HN 0.460 nan 8.150 nan 0.000 0.493 593 N N 3.100 121.580 118.700 -0.366 0.000 2.142 593 N HA 0.015 4.755 4.740 0.000 0.000 0.282 593 N C -2.007 173.225 175.510 -0.463 0.000 1.342 593 N CA -0.162 52.535 53.050 -0.588 0.000 0.831 593 N CB -0.014 38.426 38.487 -0.078 0.000 1.083 593 N HN 0.431 nan 8.380 nan 0.000 0.492 594 P HA -0.078 nan 4.420 nan 0.000 0.233 594 P C 0.591 177.671 177.300 -0.366 0.000 1.167 594 P CA 0.777 63.584 63.100 -0.489 0.000 0.770 594 P CB 0.229 31.643 31.700 -0.476 0.000 0.837 595 T N 0.907 115.357 114.554 -0.173 0.000 2.684 595 T HA -0.152 4.198 4.350 0.000 0.000 0.267 595 T C 1.765 176.503 174.700 0.063 0.000 1.036 595 T CA 1.090 63.184 62.100 -0.009 0.000 1.148 595 T CB -0.863 68.058 68.868 0.087 0.000 0.863 595 T HN 0.044 nan 8.240 nan 0.000 0.436 596 L N 1.022 122.286 121.223 0.068 0.000 2.083 596 L HA -0.099 4.241 4.340 0.000 0.000 0.209 596 L C 2.497 179.457 176.870 0.150 0.000 1.083 596 L CA 1.719 56.660 54.840 0.168 0.000 0.752 596 L CB -1.007 41.112 42.059 0.099 0.000 0.899 596 L HN 0.203 nan 8.230 nan 0.000 0.433 597 T N 0.158 114.671 114.554 -0.068 0.000 2.746 597 T HA -0.007 4.343 4.350 0.000 0.000 0.267 597 T C 1.101 175.765 174.700 -0.059 0.000 1.039 597 T CA 0.790 62.850 62.100 -0.067 0.000 1.142 597 T CB -0.484 67.924 68.868 -0.767 0.000 0.866 597 T HN 0.533 nan 8.240 nan 0.000 0.444 601 L N 3.064 124.083 121.223 -0.340 0.000 2.017 601 L HA 0.198 4.538 4.340 0.000 0.000 0.208 601 L C 2.763 179.489 176.870 -0.239 0.000 1.073 601 L CA 2.374 57.038 54.840 -0.294 0.000 0.745 601 L CB -1.612 40.360 42.059 -0.145 0.000 0.894 601 L HN 0.496 nan 8.230 nan 0.000 0.432 602 A N -0.300 122.388 122.820 -0.220 0.000 1.908 602 A HA -0.218 4.103 4.320 0.000 0.000 0.218 602 A C 2.359 179.627 177.584 -0.527 0.000 1.181 602 A CA 1.882 53.697 52.037 -0.370 0.000 0.627 602 A CB -0.714 18.090 19.000 -0.326 0.000 0.818 602 A HN 0.389 nan 8.150 nan 0.000 0.445 603 I N -0.647 119.689 120.570 -0.390 0.000 2.163 603 I HA -0.294 3.876 4.170 0.000 0.000 0.243 603 I C 2.562 178.500 176.117 -0.297 0.000 1.085 603 I CA 1.979 63.074 61.300 -0.341 0.000 1.347 603 I CB -0.297 37.511 38.000 -0.320 0.000 1.044 603 I HN 0.381 nan 8.210 nan 0.000 0.408 604 K N 0.519 120.741 120.400 -0.297 0.000 2.063 604 K HA -0.242 4.078 4.320 0.000 0.000 0.208 604 K C 2.362 178.882 176.600 -0.133 0.000 1.048 604 K CA 1.902 58.050 56.287 -0.232 0.000 0.928 604 K CB -0.141 32.180 32.500 -0.299 0.000 0.713 604 K HN 0.153 nan 8.250 nan 0.000 0.442 605 S N 0.000 115.615 115.700 -0.143 0.000 2.359 605 S HA -0.176 4.294 4.470 0.000 0.000 0.224 605 S C 2.073 176.627 174.600 -0.076 0.000 1.035 605 S CA 1.504 59.695 58.200 -0.016 0.000 1.018 605 S CB -0.501 62.735 63.200 0.061 0.000 0.876 605 S HN 0.574 nan 8.310 nan 0.000 0.448 606 C N 1.189 120.328 119.300 -0.269 0.000 2.411 606 C HA -0.018 4.443 4.460 0.000 0.000 0.279 606 C C 2.567 177.471 174.990 -0.144 0.000 1.288 606 C CA 0.954 59.812 59.018 -0.266 0.000 1.764 606 C CB -1.508 26.026 27.740 -0.343 0.000 1.974 606 C HN 0.680 nan 8.230 nan 0.000 0.498 607 E N -0.785 119.360 120.200 -0.092 0.000 2.072 607 E HA -0.203 4.147 4.350 0.000 0.000 0.191 607 E C 1.845 178.459 176.600 0.023 0.000 0.985 607 E CA 1.145 57.520 56.400 -0.040 0.000 0.801 607 E CB -0.284 29.389 29.700 -0.045 0.000 0.750 607 E HN 0.782 nan 8.360 nan 0.000 0.452 608 Y N 0.921 121.196 120.300 -0.042 0.000 2.165 608 Y HA -0.243 4.307 4.550 0.000 0.000 0.286 608 Y C 1.772 177.714 175.900 0.070 0.000 1.155 608 Y CA 1.604 59.724 58.100 0.034 0.000 1.164 608 Y CB -0.144 38.382 38.460 0.110 0.000 0.978 608 Y HN -0.004 nan 8.280 nan 0.000 0.513 609 I N 0.314 120.833 120.570 -0.086 0.000 2.142 609 I HA -0.342 3.828 4.170 0.000 0.000 0.240 609 I C 2.362 178.474 176.117 -0.008 0.000 1.078 609 I CA 1.678 62.925 61.300 -0.090 0.000 1.343 609 I CB -0.477 37.334 38.000 -0.314 0.000 1.046 609 I HN 0.109 nan 8.210 nan 0.000 0.405 610 K N 0.497 120.874 120.400 -0.039 0.000 2.173 610 K HA -0.281 4.039 4.320 0.000 0.000 0.207 610 K C 2.071 178.701 176.600 0.051 0.000 1.046 610 K CA 1.617 57.968 56.287 0.107 0.000 0.929 610 K CB -0.340 32.200 32.500 0.067 0.000 0.720 610 K HN 0.492 nan 8.250 nan 0.000 0.453 611 Q N -0.071 119.681 119.800 -0.080 0.000 2.311 611 Q HA 0.018 4.358 4.340 0.000 0.000 0.203 611 Q C 1.210 177.076 176.000 -0.224 0.000 0.954 611 Q CA 0.747 56.470 55.803 -0.134 0.000 0.885 611 Q CB 0.285 28.938 28.738 -0.142 0.000 0.963 611 Q HN 0.349 nan 8.270 nan 0.000 0.471 612 N N -1.215 117.269 118.700 -0.360 0.000 2.181 612 N HA 0.136 4.876 4.740 0.000 0.000 0.207 612 N C -0.916 174.147 175.510 -0.746 0.000 1.182 612 N CA 0.208 52.887 53.050 -0.618 0.000 0.893 612 N CB 0.992 38.882 38.487 -0.995 0.000 1.032 612 N HN 0.003 nan 8.380 nan 0.000 0.513 613 F N 0.395 120.355 119.950 0.017 0.000 2.565 613 F HA 0.313 4.840 4.527 0.000 0.000 0.313 613 F C 0.189 176.070 175.800 0.136 0.000 1.091 613 F CA -0.644 57.421 58.000 0.109 0.000 0.915 613 F CB 1.915 41.015 39.000 0.167 0.000 1.208 613 F HN -0.381 nan 8.300 nan 0.000 0.453 614 T N 4.207 118.892 114.554 0.220 0.000 2.733 614 T HA 0.396 4.747 4.350 0.000 0.000 0.294 614 T C -2.490 172.160 174.700 -0.084 0.000 0.956 614 T CA -1.323 60.789 62.100 0.020 0.000 0.987 614 T CB 0.799 69.673 68.868 0.010 0.000 0.920 614 T HN 0.129 nan 8.240 nan 0.000 0.470 615 P HA 0.120 nan 4.420 nan 0.000 0.265 615 P C -0.138 177.057 177.300 -0.175 0.000 1.193 615 P CA -0.308 62.472 63.100 -0.534 0.000 0.765 615 P CB 0.384 31.595 31.700 -0.815 0.000 0.823 616 S N 3.474 119.137 115.700 -0.061 0.000 2.576 616 S HA 0.326 4.797 4.470 0.000 0.000 0.276 616 S C -2.202 172.400 174.600 0.004 0.000 1.339 616 S CA -1.059 57.135 58.200 -0.010 0.000 1.039 616 S CB -0.453 62.758 63.200 0.018 0.000 0.902 616 S HN 0.186 nan 8.310 nan 0.000 0.516 617 P HA 0.071 nan 4.420 nan 0.000 0.262 617 P C -0.667 176.680 177.300 0.079 0.000 1.182 617 P CA -0.053 63.071 63.100 0.041 0.000 0.761 617 P CB -0.027 31.682 31.700 0.016 0.000 0.795 618 F N 4.626 124.562 119.950 -0.023 0.000 2.494 618 F HA 0.228 4.755 4.527 0.000 0.000 0.369 618 F C 0.030 175.824 175.800 -0.010 0.000 1.098 618 F CA 0.845 58.839 58.000 -0.012 0.000 1.154 618 F CB -0.066 38.928 39.000 -0.010 0.000 1.103 618 F HN 0.245 nan 8.300 nan 0.000 0.549 619 T N 0.000 114.229 114.554 -0.542 0.000 3.816 619 T HA 0.000 4.350 4.350 0.000 0.000 0.228 619 T CA 0.000 61.822 62.100 -0.463 0.000 1.349 619 T CB 0.000 68.749 68.868 -0.198 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658