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_H 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 0.000 176.180 176.300 -0.199 0.000 2.045 44 D CA 0.000 53.922 54.000 -0.129 0.000 0.868 44 D CB 0.000 40.613 40.800 -0.312 0.000 0.688 45 I N -2.246 118.195 120.570 -0.215 0.000 2.703 45 I HA 0.271 4.441 4.170 -0.000 0.000 0.259 45 I C 0.722 176.752 176.117 -0.145 0.000 1.151 45 I CA 0.742 61.970 61.300 -0.120 0.000 1.470 45 I CB 0.040 38.003 38.000 -0.061 0.000 1.112 45 I HN 0.007 nan 8.210 nan 0.000 0.437 46 K N 0.712 120.922 120.400 -0.318 0.000 2.376 46 K HA 0.494 4.814 4.320 -0.000 0.000 0.257 46 K C -1.700 174.617 176.600 -0.472 0.000 0.939 46 K CA -0.669 55.481 56.287 -0.229 0.000 0.809 46 K CB 0.879 33.311 32.500 -0.114 0.000 1.121 46 K HN 0.142 nan 8.250 nan 0.000 0.425 47 Y N 1.202 121.510 120.300 0.013 0.000 2.587 47 Y HA 0.292 4.842 4.550 -0.000 0.000 0.337 47 Y C 0.853 176.743 175.900 -0.016 0.000 1.065 47 Y CA -0.719 57.386 58.100 0.008 0.000 1.126 47 Y CB 1.622 40.091 38.460 0.014 0.000 1.279 47 Y HN 0.608 nan 8.280 nan 0.000 0.489 48 D N 0.077 120.585 120.400 0.179 0.000 2.120 48 D HA 0.027 4.667 4.640 -0.000 0.000 0.202 48 D C -0.255 176.031 176.300 -0.023 0.000 0.972 48 D CA 1.368 55.439 54.000 0.118 0.000 0.837 48 D CB 0.215 41.169 40.800 0.256 0.000 0.989 48 D HN 0.131 nan 8.370 nan 0.000 0.469 49 V N 0.985 120.890 119.914 -0.016 0.000 2.656 49 V HA 0.413 4.533 4.120 -0.000 0.000 0.307 49 V C -0.198 175.820 176.094 -0.127 0.000 1.051 49 V CA -0.864 61.340 62.300 -0.161 0.000 0.893 49 V CB 2.857 34.566 31.823 -0.189 0.000 0.999 49 V HN -0.251 nan 8.190 nan 0.000 0.426 50 V N 5.511 125.309 119.914 -0.193 0.000 2.495 50 V HA 0.575 4.695 4.120 -0.000 0.000 0.298 50 V C -0.502 175.563 176.094 -0.049 0.000 1.031 50 V CA -0.389 61.861 62.300 -0.082 0.000 0.871 50 V CB 1.958 33.789 31.823 0.013 0.000 0.988 50 V HN 0.718 nan 8.190 nan 0.000 0.432 51 I N 4.928 125.493 120.570 -0.008 0.000 2.418 51 I HA 0.443 4.613 4.170 -0.000 0.000 0.287 51 I C -0.670 175.483 176.117 0.059 0.000 1.008 51 I CA -0.843 60.432 61.300 -0.043 0.000 1.104 51 I CB 2.132 40.088 38.000 -0.074 0.000 1.264 51 I HN 0.231 nan 8.210 nan 0.000 0.438 52 V N 5.433 125.364 119.914 0.028 0.000 2.350 52 V HA 0.790 4.910 4.120 -0.000 0.000 0.276 52 V C 0.485 176.591 176.094 0.019 0.000 1.028 52 V CA -0.295 62.042 62.300 0.062 0.000 0.860 52 V CB 0.682 32.517 31.823 0.021 0.000 0.990 52 V HN 1.064 nan 8.190 nan 0.000 0.453 53 G N 3.973 112.798 108.800 0.043 0.000 3.067 53 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.686 53 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.686 53 G C -0.057 174.861 174.900 0.030 0.000 1.119 53 G CA -0.246 44.869 45.100 0.024 0.000 0.790 53 G HN 1.363 nan 8.290 nan 0.000 0.605 54 S N 1.318 117.038 115.700 0.033 0.000 2.562 54 S HA 0.615 5.085 4.470 -0.000 0.000 0.246 54 S C 1.262 175.877 174.600 0.025 0.000 1.056 54 S CA 0.669 58.898 58.200 0.048 0.000 1.042 54 S CB 0.591 63.831 63.200 0.067 0.000 0.822 54 S HN 1.928 nan 8.310 nan 0.000 0.465 55 G N 2.585 111.386 108.800 0.003 0.000 2.611 55 G HA2 0.405 4.364 3.960 -0.000 0.000 0.273 55 G HA3 0.405 4.364 3.960 -0.000 0.000 0.273 55 G C -1.156 173.721 174.900 -0.038 0.000 1.305 55 G CA -1.367 43.714 45.100 -0.033 0.000 1.010 55 G HN 0.256 nan 8.290 nan 0.000 0.509 56 P HA -0.078 nan 4.420 nan 0.000 0.218 56 P C 1.782 179.016 177.300 -0.110 0.000 1.149 56 P CA 0.821 63.860 63.100 -0.101 0.000 0.817 56 P CB 0.168 31.805 31.700 -0.105 0.000 0.785 57 I N -0.035 120.502 120.570 -0.055 0.000 2.353 57 I HA -0.051 4.119 4.170 -0.000 0.000 0.248 57 I C 2.670 178.848 176.117 0.101 0.000 1.119 57 I CA 1.558 62.860 61.300 0.004 0.000 1.417 57 I CB -2.237 35.791 38.000 0.048 0.000 1.078 57 I HN 0.001 nan 8.210 nan 0.000 0.421 58 G N 0.363 109.202 108.800 0.066 0.000 2.442 58 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.219 58 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.219 58 G C 1.744 176.667 174.900 0.039 0.000 1.141 58 G CA 0.965 46.104 45.100 0.065 0.000 0.763 58 G HN 0.412 nan 8.290 nan 0.000 0.554 59 C N 0.671 119.966 119.300 -0.008 0.000 2.448 59 C HA 0.049 4.509 4.460 -0.000 0.000 0.280 59 C C 3.160 178.046 174.990 -0.174 0.000 1.398 59 C CA 1.269 60.248 59.018 -0.066 0.000 1.774 59 C CB -0.954 26.796 27.740 0.015 0.000 1.888 59 C HN 0.445 nan 8.230 nan 0.000 0.519 60 T N 0.154 114.628 114.554 -0.133 0.000 2.708 60 T HA -0.171 4.179 4.350 -0.000 0.000 0.266 60 T C 1.470 176.036 174.700 -0.224 0.000 1.037 60 T CA 1.687 63.682 62.100 -0.173 0.000 1.146 60 T CB -0.403 68.367 68.868 -0.163 0.000 0.865 60 T HN 0.563 nan 8.240 nan 0.000 0.435 61 Y N 1.436 121.614 120.300 -0.204 0.000 2.145 61 Y HA -0.018 4.532 4.550 -0.000 0.000 0.286 61 Y C 2.767 178.478 175.900 -0.314 0.000 1.145 61 Y CA 0.907 58.870 58.100 -0.227 0.000 1.148 61 Y CB -0.710 37.633 38.460 -0.195 0.000 0.981 61 Y HN 0.190 nan 8.280 nan 0.000 0.507 62 A N 0.235 122.902 122.820 -0.255 0.000 1.877 62 A HA -0.247 4.073 4.320 -0.000 0.000 0.216 62 A C 2.292 179.341 177.584 -0.891 0.000 1.186 62 A CA 1.915 53.577 52.037 -0.625 0.000 0.620 62 A CB -0.798 17.621 19.000 -0.969 0.000 0.822 62 A HN 0.424 nan 8.150 nan 0.000 0.443 63 R N -0.455 119.530 120.500 -0.858 0.000 2.096 63 R HA -0.173 4.167 4.340 -0.000 0.000 0.240 63 R C 2.038 178.114 176.300 -0.373 0.000 1.139 63 R CA 1.828 57.550 56.100 -0.631 0.000 0.952 63 R CB -0.245 29.729 30.300 -0.542 0.000 0.854 63 R HN 0.604 nan 8.270 nan 0.000 0.436 64 E N 0.190 120.220 120.200 -0.284 0.000 2.072 64 E HA -0.138 4.212 4.350 -0.000 0.000 0.190 64 E C 2.097 178.640 176.600 -0.095 0.000 0.982 64 E CA 1.051 57.363 56.400 -0.147 0.000 0.803 64 E CB 0.040 29.658 29.700 -0.137 0.000 0.755 64 E HN 0.417 nan 8.360 nan 0.000 0.453 65 L N 0.184 121.334 121.223 -0.121 0.000 2.249 65 L HA -0.033 4.307 4.340 -0.000 0.000 0.207 65 L C 2.461 179.377 176.870 0.077 0.000 1.090 65 L CA 0.184 55.016 54.840 -0.014 0.000 0.802 65 L CB -0.126 41.857 42.059 -0.127 0.000 0.947 65 L HN -0.059 nan 8.230 nan 0.000 0.453 66 V N 0.556 120.423 119.914 -0.078 0.000 2.343 66 V HA -0.187 3.933 4.120 -0.000 0.000 0.247 66 V C 2.584 178.685 176.094 0.012 0.000 1.051 66 V CA 2.066 64.356 62.300 -0.017 0.000 1.036 66 V CB -1.119 30.626 31.823 -0.131 0.000 0.654 66 V HN 0.559 nan 8.190 nan 0.000 0.451 67 G N -0.665 108.112 108.800 -0.038 0.000 2.471 67 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.219 67 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.219 67 G C 1.327 176.229 174.900 0.004 0.000 1.125 67 G CA 0.791 45.879 45.100 -0.020 0.000 0.775 67 G HN 0.633 nan 8.290 nan 0.000 0.548 68 A N -0.668 122.185 122.820 0.055 0.000 2.379 68 A HA 0.533 4.852 4.320 -0.000 0.000 0.236 68 A C 1.804 179.354 177.584 -0.057 0.000 1.272 68 A CA 1.048 53.119 52.037 0.056 0.000 0.886 68 A CB -0.251 18.858 19.000 0.180 0.000 0.962 68 A HN 1.440 nan 8.150 nan 0.000 0.504 69 G N -1.910 106.870 108.800 -0.034 0.000 2.176 69 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.232 69 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.232 69 G C 0.036 174.867 174.900 -0.115 0.000 0.986 69 G CA 0.061 45.096 45.100 -0.108 0.000 0.643 69 G HN 0.411 nan 8.290 nan 0.000 0.522 70 Y N 1.001 121.323 120.300 0.036 0.000 2.397 70 Y HA 0.413 4.963 4.550 -0.000 0.000 0.335 70 Y C 1.087 177.036 175.900 0.083 0.000 1.213 70 Y CA 0.498 58.627 58.100 0.049 0.000 1.391 70 Y CB 0.693 39.163 38.460 0.016 0.000 1.293 70 Y HN 0.140 nan 8.280 nan 0.000 0.557 71 K N 2.812 123.370 120.400 0.262 0.000 2.267 71 K HA 0.494 4.814 4.320 -0.000 0.000 0.282 71 K C -1.765 174.995 176.600 0.267 0.000 1.078 71 K CA -0.283 56.147 56.287 0.239 0.000 0.903 71 K CB 0.307 32.918 32.500 0.186 0.000 1.111 71 K HN 0.513 nan 8.250 nan 0.000 0.475 72 V N 3.689 123.739 119.914 0.228 0.000 2.448 72 V HA 0.588 4.708 4.120 -0.000 0.000 0.295 72 V C -0.051 175.966 176.094 -0.129 0.000 1.025 72 V CA -0.752 61.614 62.300 0.110 0.000 0.859 72 V CB 1.188 33.114 31.823 0.172 0.000 0.988 72 V HN 0.977 nan 8.190 nan 0.000 0.431 76 D N 2.838 123.329 120.400 0.151 0.000 2.780 76 D HA 0.359 4.999 4.640 -0.000 0.000 0.242 76 D C 0.498 176.824 176.300 0.043 0.000 1.135 76 D CA -0.385 53.657 54.000 0.070 0.000 0.859 76 D CB 2.687 43.510 40.800 0.038 0.000 1.530 76 D HN 0.691 nan 8.370 nan 0.000 0.493 77 I N 2.018 122.565 120.570 -0.039 0.000 2.361 77 I HA -0.041 4.129 4.170 -0.000 0.000 0.251 77 I C 1.175 177.256 176.117 -0.060 0.000 1.133 77 I CA 1.022 62.253 61.300 -0.115 0.000 1.413 77 I CB 0.151 37.954 38.000 -0.328 0.000 1.073 77 I HN 0.344 nan 8.210 nan 0.000 0.424 78 G N -0.169 108.612 108.800 -0.031 0.000 2.537 78 G HA2 0.367 4.327 3.960 -0.000 0.000 0.297 78 G HA3 0.367 4.327 3.960 -0.000 0.000 0.297 78 G C -0.868 174.052 174.900 0.033 0.000 1.310 78 G CA -0.459 44.649 45.100 0.014 0.000 1.027 78 G HN 0.299 nan 8.290 nan 0.000 0.505 79 E N -1.164 119.062 120.200 0.043 0.000 2.235 79 E HA 0.335 4.685 4.350 -0.000 0.000 0.265 79 E C -0.357 176.268 176.600 0.042 0.000 0.940 79 E CA -0.704 55.723 56.400 0.044 0.000 0.819 79 E CB 2.470 32.199 29.700 0.049 0.000 1.206 79 E HN 0.267 nan 8.360 nan 0.000 0.409 80 I N 1.905 122.497 120.570 0.037 0.000 2.664 80 I HA -0.089 4.081 4.170 -0.000 0.000 0.284 80 I C 0.430 176.576 176.117 0.048 0.000 1.154 80 I CA 0.917 62.240 61.300 0.038 0.000 1.402 80 I CB 0.054 38.071 38.000 0.027 0.000 1.395 80 I HN 0.526 nan 8.210 nan 0.000 0.545 81 D N 3.392 123.826 120.400 0.058 0.000 2.620 81 D HA 0.107 4.747 4.640 -0.000 0.000 0.260 81 D C 0.113 176.467 176.300 0.091 0.000 1.367 81 D CA 0.017 54.059 54.000 0.070 0.000 0.805 81 D CB 0.540 41.381 40.800 0.069 0.000 1.096 81 D HN 0.431 nan 8.370 nan 0.000 0.488 82 S N -0.789 114.967 115.700 0.092 0.000 2.901 82 S HA 0.617 5.087 4.470 -0.000 0.000 0.248 82 S C 0.852 175.518 174.600 0.110 0.000 1.021 82 S CA -0.344 57.928 58.200 0.121 0.000 1.090 82 S CB 0.701 63.985 63.200 0.140 0.000 1.039 82 S HN 0.382 nan 8.310 nan 0.000 0.514 83 G N 2.131 110.983 108.800 0.087 0.000 2.593 83 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.237 83 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.237 83 G C 0.331 175.262 174.900 0.052 0.000 1.312 83 G CA -0.194 44.948 45.100 0.070 0.000 0.896 83 G HN 0.487 nan 8.290 nan 0.000 0.574 84 L N 0.151 121.399 121.223 0.042 0.000 2.201 84 L HA 0.097 4.437 4.340 -0.000 0.000 0.212 84 L C 1.541 178.421 176.870 0.017 0.000 1.105 84 L CA 1.174 56.028 54.840 0.023 0.000 0.775 84 L CB -0.409 41.659 42.059 0.015 0.000 0.913 84 L HN 0.310 nan 8.230 nan 0.000 0.440 85 K N 1.691 122.111 120.400 0.033 0.000 2.273 85 K HA 0.358 4.678 4.320 -0.000 0.000 0.287 85 K C -0.380 176.240 176.600 0.033 0.000 1.089 85 K CA -0.208 56.095 56.287 0.027 0.000 0.909 85 K CB 1.004 33.534 32.500 0.050 0.000 1.123 85 K HN 0.061 nan 8.250 nan 0.000 0.473 86 I N 1.779 122.351 120.570 0.003 0.000 2.496 86 I HA 0.017 4.187 4.170 -0.000 0.000 0.285 86 I C 1.311 177.442 176.117 0.024 0.000 1.080 86 I CA 0.590 61.897 61.300 0.012 0.000 1.404 86 I CB 0.766 38.761 38.000 -0.008 0.000 1.403 86 I HN 0.940 nan 8.210 nan 0.000 0.539 87 G N 4.305 113.132 108.800 0.046 0.000 2.160 87 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.251 87 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.251 87 G C 0.282 175.233 174.900 0.085 0.000 1.008 87 G CA 0.108 45.241 45.100 0.055 0.000 0.724 87 G HN 0.962 nan 8.290 nan 0.000 0.514 88 A N -0.474 122.412 122.820 0.110 0.000 2.272 88 A HA 0.641 4.961 4.320 -0.000 0.000 0.275 88 A C 0.533 178.247 177.584 0.217 0.000 1.096 88 A CA -0.363 51.777 52.037 0.172 0.000 0.822 88 A CB 0.347 19.448 19.000 0.169 0.000 1.088 88 A HN 0.614 nan 8.150 nan 0.000 0.495 89 H N 0.421 119.625 119.070 0.223 0.000 2.767 89 H HA 0.133 4.689 4.556 -0.000 0.000 0.316 89 H C 0.615 176.082 175.328 0.231 0.000 1.059 89 H CA 0.582 56.779 56.048 0.248 0.000 1.461 89 H CB 0.876 30.809 29.762 0.285 0.000 1.475 89 H HN 0.677 nan 8.280 nan 0.000 0.531 90 K N 3.400 123.983 120.400 0.306 0.000 2.365 90 K HA -0.068 4.252 4.320 -0.000 0.000 0.199 90 K C 1.808 178.672 176.600 0.440 0.000 1.045 90 K CA 0.466 56.997 56.287 0.407 0.000 0.962 90 K CB 0.426 33.178 32.500 0.421 0.000 0.759 90 K HN 0.431 nan 8.250 nan 0.000 0.469 91 K N 1.023 121.561 120.400 0.229 0.000 2.365 91 K HA -0.026 4.294 4.320 -0.000 0.000 0.199 91 K C 0.279 176.965 176.600 0.143 0.000 1.045 91 K CA 0.547 56.692 56.287 -0.237 0.000 0.962 91 K CB 0.131 32.158 32.500 -0.788 0.000 0.759 91 K HN 0.089 nan 8.250 nan 0.000 0.469 92 N N 2.037 120.920 118.700 0.305 0.000 2.652 92 N HA -0.037 4.703 4.740 -0.000 0.000 0.259 92 N C -0.418 175.412 175.510 0.533 0.000 1.240 92 N CA 0.337 53.618 53.050 0.384 0.000 0.951 92 N CB 0.302 39.032 38.487 0.405 0.000 1.281 92 N HN 0.222 nan 8.380 nan 0.000 0.507 93 T N -4.328 110.505 114.554 0.465 0.000 2.895 93 T HA 0.331 4.681 4.350 -0.000 0.000 0.283 93 T C 1.488 176.450 174.700 0.437 0.000 1.014 93 T CA -0.797 61.536 62.100 0.389 0.000 1.037 93 T CB 1.701 70.731 68.868 0.270 0.000 1.006 93 T HN -0.173 nan 8.240 nan 0.000 0.468 94 V N 1.486 121.583 119.914 0.306 0.000 2.392 94 V HA -0.108 4.012 4.120 -0.000 0.000 0.249 94 V C 2.783 178.971 176.094 0.156 0.000 1.059 94 V CA 2.328 64.783 62.300 0.259 0.000 1.051 94 V CB -1.007 30.863 31.823 0.077 0.000 0.658 94 V HN 1.042 nan 8.190 nan 0.000 0.455 95 E N -0.367 119.863 120.200 0.050 0.000 2.106 95 E HA -0.205 4.145 4.350 -0.000 0.000 0.192 95 E C 1.985 178.534 176.600 -0.085 0.000 0.984 95 E CA 1.565 57.922 56.400 -0.071 0.000 0.806 95 E CB -0.294 29.292 29.700 -0.190 0.000 0.750 95 E HN 0.671 nan 8.360 nan 0.000 0.458 96 Y N 0.595 120.975 120.300 0.134 0.000 2.314 96 Y HA 0.017 4.567 4.550 -0.000 0.000 0.293 96 Y C 2.052 177.987 175.900 0.057 0.000 1.129 96 Y CA 1.170 59.337 58.100 0.112 0.000 1.201 96 Y CB -0.094 38.456 38.460 0.149 0.000 0.999 96 Y HN 0.152 nan 8.280 nan 0.000 0.541 97 Q N -0.337 119.585 119.800 0.203 0.000 2.432 97 Q HA -0.070 4.270 4.340 -0.000 0.000 0.205 97 Q C 1.459 177.522 176.000 0.105 0.000 0.945 97 Q CA 0.655 56.529 55.803 0.118 0.000 0.924 97 Q CB 0.071 28.825 28.738 0.026 0.000 1.016 97 Q HN 0.415 nan 8.270 nan 0.000 0.503 98 K N 0.173 120.633 120.400 0.100 0.000 2.393 98 K HA 0.099 4.419 4.320 -0.000 0.000 0.193 98 K C 0.130 176.752 176.600 0.037 0.000 1.026 98 K CA 0.242 56.566 56.287 0.062 0.000 1.064 98 K CB 0.593 33.121 32.500 0.048 0.000 0.833 98 K HN 0.078 nan 8.250 nan 0.000 0.521 99 N N 1.102 119.834 118.700 0.054 0.000 2.664 99 N HA 0.030 4.770 4.740 -0.000 0.000 0.287 99 N C 0.121 175.660 175.510 0.048 0.000 1.869 99 N CA 0.036 53.103 53.050 0.029 0.000 0.832 99 N CB 1.003 39.505 38.487 0.025 0.000 1.293 99 N HN -0.012 nan 8.380 nan 0.000 0.498 100 I N 2.164 122.730 120.570 -0.005 0.000 2.423 100 I HA -0.235 3.935 4.170 -0.000 0.000 0.254 100 I C 1.907 177.853 176.117 -0.284 0.000 1.151 100 I CA 1.655 62.931 61.300 -0.039 0.000 1.421 100 I CB -0.066 37.930 38.000 -0.006 0.000 1.079 100 I HN 0.285 nan 8.210 nan 0.000 0.431 101 D N -0.290 119.760 120.400 -0.584 0.000 2.351 101 D HA -0.223 4.417 4.640 -0.000 0.000 0.216 101 D C 1.509 177.610 176.300 -0.332 0.000 0.968 101 D CA 0.858 54.258 54.000 -0.999 0.000 0.899 101 D CB -0.302 40.046 40.800 -0.754 0.000 0.907 101 D HN 0.311 nan 8.370 nan 0.000 0.514 102 K N -0.548 119.819 120.400 -0.055 0.000 2.352 102 K HA 0.053 4.373 4.320 -0.000 0.000 0.194 102 K C 1.560 178.234 176.600 0.123 0.000 1.038 102 K CA -0.245 56.107 56.287 0.110 0.000 1.023 102 K CB -0.410 32.235 32.500 0.242 0.000 0.840 102 K HN 0.146 nan 8.250 nan 0.000 0.519 103 F N 1.648 121.548 119.950 -0.084 0.000 2.216 103 F HA -0.175 4.352 4.527 -0.000 0.000 0.300 103 F C 2.107 177.836 175.800 -0.119 0.000 1.085 103 F CA 0.645 58.480 58.000 -0.276 0.000 1.326 103 F CB -0.242 38.577 39.000 -0.301 0.000 1.027 103 F HN -0.222 nan 8.300 nan 0.000 0.497 104 V N 1.150 121.057 119.914 -0.012 0.000 2.439 104 V HA -0.365 3.755 4.120 -0.000 0.000 0.253 104 V C 2.041 178.057 176.094 -0.129 0.000 1.074 104 V CA 2.690 64.977 62.300 -0.022 0.000 1.076 104 V CB -0.551 31.270 31.823 -0.004 0.000 0.664 104 V HN 0.463 nan 8.190 nan 0.000 0.461 105 N N -0.178 118.434 118.700 -0.145 0.000 2.216 105 N HA -0.098 4.642 4.740 -0.000 0.000 0.183 105 N C 1.782 177.166 175.510 -0.210 0.000 1.017 105 N CA 1.652 54.626 53.050 -0.128 0.000 0.861 105 N CB -0.279 38.173 38.487 -0.057 0.000 0.986 105 N HN 0.481 nan 8.380 nan 0.000 0.428 106 V N 2.318 121.986 119.914 -0.409 0.000 2.287 106 V HA -0.201 3.919 4.120 -0.000 0.000 0.248 106 V C 2.388 178.193 176.094 -0.482 0.000 1.053 106 V CA 1.318 63.303 62.300 -0.524 0.000 1.027 106 V CB -0.453 30.776 31.823 -0.990 0.000 0.646 106 V HN 0.178 nan 8.190 nan 0.000 0.447 107 I N -0.504 119.711 120.570 -0.591 0.000 2.163 107 I HA -0.263 3.907 4.170 -0.000 0.000 0.243 107 I C 2.715 178.683 176.117 -0.248 0.000 1.085 107 I CA 1.423 62.453 61.300 -0.451 0.000 1.347 107 I CB -0.465 37.351 38.000 -0.307 0.000 1.044 107 I HN 0.302 nan 8.210 nan 0.000 0.408 108 Q N 0.473 120.210 119.800 -0.106 0.000 2.226 108 Q HA -0.125 4.215 4.340 -0.000 0.000 0.204 108 Q C 2.315 178.286 176.000 -0.048 0.000 0.975 108 Q CA 1.597 57.383 55.803 -0.030 0.000 0.866 108 Q CB -0.596 28.137 28.738 -0.008 0.000 0.915 108 Q HN 0.640 nan 8.270 nan 0.000 0.440 109 G N 1.389 110.143 108.800 -0.078 0.000 2.448 109 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.219 109 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.219 109 G C 1.150 176.038 174.900 -0.020 0.000 1.127 109 G CA 0.824 45.898 45.100 -0.045 0.000 0.766 109 G HN 0.514 nan 8.290 nan 0.000 0.552 110 Q N -0.755 119.026 119.800 -0.032 0.000 2.179 110 Q HA 0.487 4.827 4.340 -0.000 0.000 0.213 110 Q C 0.452 176.476 176.000 0.040 0.000 0.833 110 Q CA -0.311 55.507 55.803 0.024 0.000 0.990 110 Q CB 0.198 28.973 28.738 0.062 0.000 1.132 110 Q HN 0.299 nan 8.270 nan 0.000 0.493 114 V N 1.572 121.541 119.914 0.092 0.000 2.379 114 V HA 0.115 4.235 4.120 -0.000 0.000 0.245 114 V C 1.086 177.184 176.094 0.006 0.000 1.044 114 V CA 1.649 63.990 62.300 0.068 0.000 1.036 114 V CB 0.340 32.235 31.823 0.120 0.000 0.664 114 V HN 0.789 nan 8.190 nan 0.000 0.453 115 S N -0.310 115.416 115.700 0.042 0.000 2.775 115 S HA 0.496 4.966 4.470 -0.000 0.000 0.277 115 S C -1.066 173.540 174.600 0.010 0.000 1.156 115 S CA -0.477 57.712 58.200 -0.020 0.000 1.081 115 S CB 1.342 64.486 63.200 -0.093 0.000 1.054 115 S HN 0.010 nan 8.310 nan 0.000 0.482 116 V N 7.875 127.783 119.914 -0.009 0.000 2.370 116 V HA 0.538 4.658 4.120 -0.000 0.000 0.279 116 V C -1.876 174.204 176.094 -0.023 0.000 1.029 116 V CA -1.781 60.513 62.300 -0.009 0.000 0.870 116 V CB 1.283 33.102 31.823 -0.007 0.000 0.984 116 V HN 0.691 nan 8.190 nan 0.000 0.451 117 P HA 0.163 nan 4.420 nan 0.000 0.274 117 P C -0.173 177.104 177.300 -0.038 0.000 1.256 117 P CA -0.181 62.902 63.100 -0.029 0.000 0.795 117 P CB 0.885 32.569 31.700 -0.027 0.000 1.038 118 V N 2.213 122.106 119.914 -0.036 0.000 2.599 118 V HA -0.040 4.080 4.120 -0.000 0.000 0.300 118 V C 1.290 177.331 176.094 -0.087 0.000 1.034 118 V CA 0.174 62.447 62.300 -0.046 0.000 1.115 118 V CB -0.694 31.122 31.823 -0.013 0.000 0.934 118 V HN 0.612 nan 8.190 nan 0.000 0.485 119 N N 3.815 122.456 118.700 -0.099 0.000 2.442 119 N HA 0.053 4.793 4.740 -0.000 0.000 0.265 119 N C 0.651 175.999 175.510 -0.271 0.000 1.138 119 N CA 0.405 53.373 53.050 -0.136 0.000 0.956 119 N CB 1.441 39.877 38.487 -0.084 0.000 1.067 119 N HN 0.869 nan 8.380 nan 0.000 0.474 120 T N 1.446 115.732 114.554 -0.447 0.000 3.228 120 T HA 0.183 4.533 4.350 -0.000 0.000 0.278 120 T C 0.487 174.766 174.700 -0.701 0.000 1.014 120 T CA -0.563 60.890 62.100 -1.079 0.000 0.904 120 T CB -0.103 68.190 68.868 -0.959 0.000 1.110 120 T HN 0.155 nan 8.240 nan 0.000 0.541 121 L N 2.580 123.638 121.223 -0.276 0.000 2.455 121 L HA 0.332 4.671 4.340 -0.000 0.000 0.272 121 L C 0.114 177.027 176.870 0.071 0.000 1.174 121 L CA -0.450 54.340 54.840 -0.083 0.000 0.869 121 L CB 0.841 42.880 42.059 -0.034 0.000 1.130 121 L HN 0.187 nan 8.230 nan 0.000 0.474 122 V N 5.446 125.418 119.914 0.097 0.000 2.364 122 V HA 0.279 4.399 4.120 -0.000 0.000 0.272 122 V C 0.080 176.235 176.094 0.102 0.000 1.036 122 V CA -0.658 61.746 62.300 0.173 0.000 0.880 122 V CB 1.578 33.493 31.823 0.154 0.000 0.991 122 V HN 0.428 nan 8.190 nan 0.000 0.460 123 V N 5.420 125.395 119.914 0.101 0.000 2.328 123 V HA 0.358 4.478 4.120 -0.000 0.000 0.278 123 V C 0.248 176.369 176.094 0.046 0.000 1.021 123 V CA -0.400 61.937 62.300 0.063 0.000 0.838 123 V CB 1.451 33.311 31.823 0.062 0.000 0.999 123 V HN 1.073 nan 8.190 nan 0.000 0.447 124 D N 1.895 122.315 120.400 0.033 0.000 2.535 124 D HA 0.007 4.647 4.640 -0.000 0.000 0.229 124 D C 1.109 177.417 176.300 0.013 0.000 1.238 124 D CA 0.254 54.265 54.000 0.019 0.000 0.824 124 D CB 0.362 41.172 40.800 0.016 0.000 1.045 124 D HN 0.551 nan 8.370 nan 0.000 0.500 125 T N -1.680 112.885 114.554 0.018 0.000 3.215 125 T HA 0.336 4.686 4.350 -0.000 0.000 0.271 125 T C 0.683 175.394 174.700 0.018 0.000 1.012 125 T CA -0.555 61.554 62.100 0.015 0.000 0.899 125 T CB -0.351 68.526 68.868 0.016 0.000 1.089 125 T HN 0.015 nan 8.240 nan 0.000 0.552 126 L N 2.125 123.360 121.223 0.020 0.000 2.483 126 L HA 0.269 4.609 4.340 -0.000 0.000 0.276 126 L C 1.142 178.022 176.870 0.016 0.000 1.213 126 L CA -0.484 54.371 54.840 0.024 0.000 0.843 126 L CB 0.298 42.374 42.059 0.028 0.000 1.107 126 L HN 0.252 nan 8.230 nan 0.000 0.487 127 S N 2.341 118.054 115.700 0.021 0.000 2.552 127 S HA 0.080 4.550 4.470 -0.000 0.000 0.289 127 S C -1.430 173.177 174.600 0.011 0.000 1.304 127 S CA -1.016 57.194 58.200 0.017 0.000 1.063 127 S CB 0.731 63.945 63.200 0.023 0.000 0.848 127 S HN 0.408 nan 8.310 nan 0.000 0.499 128 P HA -0.047 nan 4.420 nan 0.000 0.220 128 P C 1.340 178.640 177.300 -0.000 0.000 1.144 128 P CA 0.949 64.045 63.100 -0.007 0.000 0.800 128 P CB 0.010 31.706 31.700 -0.007 0.000 0.772 129 T N -1.558 113.005 114.554 0.014 0.000 2.995 129 T HA 0.042 4.392 4.350 -0.000 0.000 0.269 129 T C 0.855 175.585 174.700 0.049 0.000 1.091 129 T CA 0.581 62.697 62.100 0.027 0.000 1.128 129 T CB -0.372 68.512 68.868 0.027 0.000 0.891 129 T HN 0.060 nan 8.240 nan 0.000 0.492 130 S N 0.579 116.310 115.700 0.053 0.000 2.584 130 S HA 0.275 4.745 4.470 -0.000 0.000 0.273 130 S C -0.714 173.959 174.600 0.121 0.000 1.311 130 S CA -0.822 57.436 58.200 0.097 0.000 1.034 130 S CB 0.498 63.752 63.200 0.090 0.000 0.939 130 S HN 0.529 nan 8.310 nan 0.000 0.513 131 W N 2.635 123.943 121.300 0.014 0.000 2.264 131 W HA 0.204 4.864 4.660 -0.000 0.000 0.331 131 W C -0.043 176.491 176.519 0.025 0.000 1.364 131 W CA 0.288 57.642 57.345 0.014 0.000 1.253 131 W CB 0.186 29.654 29.460 0.013 0.000 1.215 131 W HN 0.526 nan 8.180 nan 0.000 0.561 132 Q N 4.446 123.869 119.800 -0.628 0.000 2.305 132 Q HA 0.612 4.952 4.340 -0.000 0.000 0.271 132 Q C -0.559 174.793 176.000 -1.079 0.000 1.046 132 Q CA -0.902 54.588 55.803 -0.522 0.000 0.798 132 Q CB 2.073 30.641 28.738 -0.282 0.000 1.286 132 Q HN 0.550 nan 8.270 nan 0.000 0.435 133 A N 0.813 123.180 122.820 -0.755 0.000 2.264 133 A HA 0.499 4.819 4.320 -0.000 0.000 0.304 133 A C 0.612 178.016 177.584 -0.299 0.000 1.100 133 A CA -0.299 51.394 52.037 -0.574 0.000 0.839 133 A CB 0.607 19.579 19.000 -0.047 0.000 1.121 133 A HN 0.832 nan 8.150 nan 0.000 0.496 134 S N -0.845 114.716 115.700 -0.231 0.000 2.575 134 S HA 0.254 4.724 4.470 -0.000 0.000 0.215 134 S C 0.543 175.036 174.600 -0.179 0.000 0.966 134 S CA 0.503 58.585 58.200 -0.196 0.000 0.911 134 S CB -0.762 62.343 63.200 -0.158 0.000 0.780 134 S HN 1.408 nan 8.310 nan 0.000 0.514 135 T N -1.665 112.819 114.554 -0.117 0.000 2.864 135 T HA 0.652 5.002 4.350 -0.000 0.000 0.299 135 T C -0.864 173.806 174.700 -0.051 0.000 1.166 135 T CA -0.969 61.067 62.100 -0.108 0.000 1.007 135 T CB 0.564 69.463 68.868 0.051 0.000 1.219 135 T HN 0.061 nan 8.240 nan 0.000 0.506 136 F N 3.121 123.144 119.950 0.122 0.000 2.652 136 F HA 0.344 4.871 4.527 -0.000 0.000 0.352 136 F C 0.551 176.385 175.800 0.057 0.000 1.259 136 F CA -1.243 56.786 58.000 0.049 0.000 1.249 136 F CB -0.656 38.348 39.000 0.006 0.000 1.628 136 F HN 0.541 nan 8.300 nan 0.000 0.654 137 F N -0.801 119.249 119.950 0.167 0.000 2.368 137 F HA 0.563 5.090 4.527 -0.000 0.000 0.308 137 F C -0.056 175.817 175.800 0.122 0.000 1.198 137 F CA -1.530 56.546 58.000 0.126 0.000 1.130 137 F CB -0.070 38.994 39.000 0.107 0.000 1.300 137 F HN -0.204 nan 8.300 nan 0.000 0.537 138 V N 3.534 123.573 119.914 0.208 0.000 2.425 138 V HA 0.213 4.333 4.120 -0.000 0.000 0.276 138 V C 0.257 176.349 176.094 -0.003 0.000 1.017 138 V CA -0.173 62.169 62.300 0.070 0.000 1.062 138 V CB -1.096 30.801 31.823 0.123 0.000 0.997 138 V HN 0.871 nan 8.190 nan 0.000 0.476 139 R N 3.523 123.929 120.500 -0.156 0.000 2.799 139 R HA 0.502 4.842 4.340 -0.000 0.000 0.270 139 R C -0.284 175.979 176.300 -0.062 0.000 1.010 139 R CA -0.961 55.065 56.100 -0.123 0.000 0.916 139 R CB 0.886 30.986 30.300 -0.334 0.000 1.228 139 R HN 0.436 nan 8.270 nan 0.000 0.469 140 N N -0.388 118.301 118.700 -0.018 0.000 2.735 140 N HA -0.196 4.544 4.740 -0.000 0.000 0.248 140 N C 0.737 176.243 175.510 -0.007 0.000 1.083 140 N CA 1.777 54.821 53.050 -0.010 0.000 0.703 140 N CB -1.285 37.189 38.487 -0.021 0.000 1.005 140 N HN 1.140 nan 8.380 nan 0.000 0.550 141 G N -2.309 106.492 108.800 0.002 0.000 2.159 141 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.256 141 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.256 141 G C 0.197 175.097 174.900 -0.001 0.000 0.977 141 G CA 0.430 45.533 45.100 0.005 0.000 0.652 141 G HN 0.552 nan 8.290 nan 0.000 0.531 142 S N 0.207 115.901 115.700 -0.011 0.000 2.560 142 S HA 0.349 4.819 4.470 -0.000 0.000 0.284 142 S C 0.445 175.038 174.600 -0.012 0.000 1.327 142 S CA 0.026 58.215 58.200 -0.018 0.000 1.055 142 S CB 0.974 64.156 63.200 -0.031 0.000 0.868 142 S HN 0.573 nan 8.310 nan 0.000 0.506 143 N N 3.156 121.840 118.700 -0.026 0.000 2.462 143 N HA 0.284 5.024 4.740 -0.000 0.000 0.242 143 N C -1.649 173.845 175.510 -0.026 0.000 1.010 143 N CA -2.299 50.728 53.050 -0.039 0.000 0.939 143 N CB 1.157 39.591 38.487 -0.089 0.000 1.127 143 N HN 0.190 nan 8.380 nan 0.000 0.509 144 P HA -0.038 nan 4.420 nan 0.000 0.229 144 P C 0.338 177.660 177.300 0.036 0.000 1.160 144 P CA 0.845 63.962 63.100 0.028 0.000 0.777 144 P CB 0.538 32.270 31.700 0.053 0.000 0.814 145 E N -0.102 120.109 120.200 0.017 0.000 2.274 145 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 145 E C 0.899 177.510 176.600 0.018 0.000 0.996 145 E CA 0.595 57.027 56.400 0.054 0.000 0.840 145 E CB -0.169 29.527 29.700 -0.006 0.000 0.772 145 E HN 0.291 nan 8.360 nan 0.000 0.491 146 Q N 2.277 122.047 119.800 -0.050 0.000 2.296 146 Q HA 0.008 4.348 4.340 -0.000 0.000 0.263 146 Q C -0.797 175.210 176.000 0.011 0.000 1.026 146 Q CA -0.087 55.687 55.803 -0.049 0.000 0.912 146 Q CB 0.638 29.332 28.738 -0.072 0.000 1.198 146 Q HN -0.179 nan 8.270 nan 0.000 0.407 147 D N 6.066 126.493 120.400 0.045 0.000 2.382 147 D HA 0.024 4.664 4.640 -0.000 0.000 0.259 147 D C -1.681 174.635 176.300 0.027 0.000 1.224 147 D CA -1.742 52.285 54.000 0.045 0.000 0.894 147 D CB 1.214 42.055 40.800 0.067 0.000 1.127 147 D HN 0.437 nan 8.370 nan 0.000 0.487 148 P HA -0.073 nan 4.420 nan 0.000 0.230 148 P C 1.021 178.324 177.300 0.005 0.000 1.158 148 P CA 0.714 63.813 63.100 -0.001 0.000 0.769 148 P CB 0.252 31.940 31.700 -0.020 0.000 0.807 149 L N -1.508 119.722 121.223 0.012 0.000 2.640 149 L HA 0.257 4.597 4.340 -0.000 0.000 0.230 149 L C 1.543 178.425 176.870 0.020 0.000 1.123 149 L CA 0.083 54.929 54.840 0.011 0.000 0.900 149 L CB -0.076 41.986 42.059 0.005 0.000 1.146 149 L HN -0.212 nan 8.230 nan 0.000 0.484 150 R N -0.122 120.399 120.500 0.036 0.000 2.727 150 R HA 0.225 4.564 4.340 -0.000 0.000 0.410 150 R C -0.303 176.050 176.300 0.088 0.000 1.101 150 R CA -0.278 55.854 56.100 0.054 0.000 1.045 150 R CB 0.296 30.631 30.300 0.059 0.000 1.380 150 R HN 0.065 nan 8.270 nan 0.000 0.587 151 N N 0.579 119.311 118.700 0.053 0.000 2.477 151 N HA 0.348 5.088 4.740 -0.000 0.000 0.284 151 N C -0.645 174.801 175.510 -0.107 0.000 1.182 151 N CA -0.566 52.504 53.050 0.034 0.000 0.949 151 N CB 1.153 39.657 38.487 0.029 0.000 1.204 151 N HN 0.070 nan 8.380 nan 0.000 0.526 152 L N 2.069 123.104 121.223 -0.313 0.000 2.589 152 L HA 0.209 4.549 4.340 -0.000 0.000 0.244 152 L C 1.391 178.110 176.870 -0.253 0.000 1.159 152 L CA -0.270 54.259 54.840 -0.517 0.000 1.074 152 L CB 0.316 41.668 42.059 -1.178 0.000 1.391 152 L HN 0.620 nan 8.230 nan 0.000 0.423 153 S N -0.590 115.045 115.700 -0.108 0.000 2.419 153 S HA -0.135 4.335 4.470 -0.000 0.000 0.235 153 S C 1.801 176.383 174.600 -0.031 0.000 1.019 153 S CA 1.077 59.257 58.200 -0.034 0.000 0.982 153 S CB -0.223 62.967 63.200 -0.016 0.000 0.789 153 S HN 0.630 nan 8.310 nan 0.000 0.490 154 G N 0.284 109.047 108.800 -0.061 0.000 2.813 154 G HA2 0.089 4.049 3.960 -0.000 0.000 0.209 154 G HA3 0.089 4.049 3.960 -0.000 0.000 0.209 154 G C 0.495 175.368 174.900 -0.044 0.000 1.150 154 G CA -0.253 44.826 45.100 -0.035 0.000 0.785 154 G HN 0.496 nan 8.290 nan 0.000 0.535 155 Q N 0.954 120.705 119.800 -0.081 0.000 2.300 155 Q HA 0.519 4.859 4.340 -0.000 0.000 0.280 155 Q C -0.193 175.838 176.000 0.051 0.000 1.033 155 Q CA 0.352 56.129 55.803 -0.043 0.000 0.903 155 Q CB 0.809 29.469 28.738 -0.130 0.000 1.195 155 Q HN 0.317 nan 8.270 nan 0.000 0.386 156 A N 2.925 125.780 122.820 0.059 0.000 2.606 156 A HA 0.743 5.063 4.320 -0.000 0.000 0.293 156 A C -1.371 176.274 177.584 0.102 0.000 1.082 156 A CA -0.179 51.903 52.037 0.076 0.000 0.685 156 A CB 1.186 20.215 19.000 0.048 0.000 1.284 156 A HN 0.937 nan 8.150 nan 0.000 0.408 157 V N -1.838 118.154 119.914 0.130 0.000 2.960 157 V HA 0.951 5.071 4.120 -0.000 0.000 0.315 157 V C -0.412 175.774 176.094 0.153 0.000 1.087 157 V CA -0.522 61.876 62.300 0.164 0.000 0.982 157 V CB 1.656 33.635 31.823 0.261 0.000 1.039 157 V HN 0.885 nan 8.190 nan 0.000 0.437 158 T N 2.792 117.434 114.554 0.147 0.000 2.812 158 T HA 0.570 4.920 4.350 -0.000 0.000 0.282 158 T C -0.284 174.465 174.700 0.083 0.000 0.990 158 T CA -0.466 61.712 62.100 0.128 0.000 0.960 158 T CB 1.087 70.053 68.868 0.163 0.000 0.948 158 T HN 0.767 nan 8.240 nan 0.000 0.438 159 R N 2.710 123.249 120.500 0.066 0.000 2.505 159 R HA 0.580 4.920 4.340 -0.000 0.000 0.284 159 R C -0.601 175.720 176.300 0.034 0.000 1.324 159 R CA -0.514 55.599 56.100 0.022 0.000 1.432 159 R CB 0.525 30.819 30.300 -0.011 0.000 1.107 159 R HN 0.502 nan 8.270 nan 0.000 0.587 160 V N -2.134 117.798 119.914 0.030 0.000 3.188 160 V HA 0.492 4.612 4.120 -0.000 0.000 0.305 160 V C 0.047 176.155 176.094 0.024 0.000 1.232 160 V CA -1.209 61.112 62.300 0.035 0.000 1.043 160 V CB 1.887 33.738 31.823 0.047 0.000 1.068 160 V HN 0.050 nan 8.190 nan 0.000 0.439 161 V N 1.998 121.930 119.914 0.030 0.000 2.572 161 V HA 0.551 4.671 4.120 -0.000 0.000 0.291 161 V C 1.627 177.737 176.094 0.026 0.000 1.039 161 V CA 1.642 63.960 62.300 0.030 0.000 1.055 161 V CB 0.123 31.966 31.823 0.035 0.000 0.969 161 V HN 1.953 nan 8.190 nan 0.000 0.482 162 G N 3.358 112.169 108.800 0.019 0.000 2.225 162 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.254 162 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.254 162 G C 0.947 175.817 174.900 -0.050 0.000 0.988 162 G CA 0.141 45.241 45.100 -0.001 0.000 0.625 162 G HN 2.263 nan 8.290 nan 0.000 0.527 166 T N 0.428 114.843 114.554 -0.232 0.000 3.055 166 T HA 0.094 4.444 4.350 -0.000 0.000 0.265 166 T C 1.408 175.917 174.700 -0.319 0.000 1.111 166 T CA 1.207 63.195 62.100 -0.187 0.000 1.118 166 T CB -0.834 68.016 68.868 -0.031 0.000 0.909 166 T HN 0.876 nan 8.240 nan 0.000 0.501 167 H N -1.921 117.073 119.070 -0.127 0.000 3.440 167 H HA 0.209 4.765 4.556 -0.000 0.000 0.259 167 H C 0.771 176.290 175.328 0.319 0.000 1.120 167 H CA -0.997 55.106 56.048 0.091 0.000 1.191 167 H CB -0.418 29.420 29.762 0.127 0.000 1.537 167 H HN 0.484 nan 8.280 nan 0.000 0.547 168 W N 3.084 124.394 121.300 0.018 0.000 2.073 168 W HA 0.176 4.836 4.660 -0.000 0.000 0.358 168 W C 0.134 176.758 176.519 0.175 0.000 1.321 168 W CA 0.132 57.572 57.345 0.159 0.000 1.317 168 W CB -0.303 29.169 29.460 0.020 0.000 1.226 168 W HN -0.172 nan 8.180 nan 0.000 0.622 169 T N 0.877 115.415 114.554 -0.027 0.000 3.055 169 T HA -0.043 4.307 4.350 -0.000 0.000 0.265 169 T C 1.144 175.395 174.700 -0.749 0.000 1.111 169 T CA 1.437 63.341 62.100 -0.327 0.000 1.118 169 T CB -0.506 68.329 68.868 -0.054 0.000 0.909 169 T HN 0.669 nan 8.240 nan 0.000 0.501 170 C N 0.722 119.175 119.300 -1.412 0.000 4.617 170 C HA -0.109 4.351 4.460 -0.000 0.000 0.260 170 C C 1.129 175.611 174.990 -0.847 0.000 1.288 170 C CA -0.817 57.147 59.018 -1.757 0.000 1.668 170 C CB -2.603 24.626 27.740 -0.851 0.000 1.518 170 C HN 0.785 nan 8.230 nan 0.000 0.708 171 A N 1.216 123.743 122.820 -0.489 0.000 2.451 171 A HA 0.513 4.833 4.320 -0.000 0.000 0.266 171 A C 0.808 178.301 177.584 -0.152 0.000 1.119 171 A CA 1.272 53.183 52.037 -0.210 0.000 0.786 171 A CB 0.125 19.074 19.000 -0.085 0.000 1.061 171 A HN 1.358 nan 8.150 nan 0.000 0.503 172 T N 1.848 116.342 114.554 -0.101 0.000 3.466 172 T HA 0.497 4.846 4.350 -0.000 0.000 0.297 172 T C -2.588 172.080 174.700 -0.053 0.000 1.640 172 T CA -1.429 60.658 62.100 -0.022 0.000 1.631 172 T CB 0.530 69.435 68.868 0.061 0.000 0.928 172 T HN 0.485 nan 8.240 nan 0.000 0.688 173 P HA 0.355 nan 4.420 nan 0.000 0.276 173 P C -0.253 176.914 177.300 -0.221 0.000 1.244 173 P CA -0.631 62.389 63.100 -0.135 0.000 0.801 173 P CB 1.189 32.802 31.700 -0.145 0.000 1.006 174 R N 0.740 121.026 120.500 -0.356 0.000 2.490 174 R HA 0.392 4.732 4.340 -0.000 0.000 0.278 174 R C 0.025 176.188 176.300 -0.229 0.000 1.069 174 R CA -0.501 55.170 56.100 -0.715 0.000 1.080 174 R CB 0.226 29.960 30.300 -0.943 0.000 1.030 174 R HN 0.378 nan 8.270 nan 0.000 0.491 175 F N 2.361 122.078 119.950 -0.387 0.000 2.412 175 F HA 0.040 4.567 4.527 -0.000 0.000 0.348 175 F C 0.986 176.600 175.800 -0.309 0.000 1.102 175 F CA -1.443 56.360 58.000 -0.328 0.000 1.196 175 F CB 0.247 39.044 39.000 -0.339 0.000 1.144 175 F HN 0.544 nan 8.300 nan 0.000 0.541 176 D N 2.772 123.102 120.400 -0.116 0.000 2.398 176 D HA 0.113 4.753 4.640 -0.000 0.000 0.247 176 D C 1.095 177.306 176.300 -0.149 0.000 1.227 176 D CA -0.428 53.504 54.000 -0.113 0.000 0.980 176 D CB 0.562 41.318 40.800 -0.074 0.000 1.106 176 D HN 0.473 nan 8.370 nan 0.000 0.493 177 R N -0.246 120.194 120.500 -0.099 0.000 2.134 177 R HA -0.268 4.072 4.340 -0.000 0.000 0.248 177 R C 2.049 178.294 176.300 -0.092 0.000 1.143 177 R CA 2.325 58.376 56.100 -0.082 0.000 0.957 177 R CB -0.453 29.836 30.300 -0.018 0.000 0.867 177 R HN 0.693 nan 8.270 nan 0.000 0.441 178 E N 0.670 120.819 120.200 -0.086 0.000 2.160 178 E HA -0.231 4.119 4.350 -0.000 0.000 0.195 178 E C 1.748 178.237 176.600 -0.184 0.000 0.991 178 E CA 1.511 57.867 56.400 -0.074 0.000 0.810 178 E CB 0.126 29.844 29.700 0.030 0.000 0.742 178 E HN 0.395 nan 8.360 nan 0.000 0.466 179 Q N -0.399 119.185 119.800 -0.361 0.000 2.376 179 Q HA 0.060 4.399 4.340 -0.000 0.000 0.206 179 Q C 0.161 176.016 176.000 -0.241 0.000 0.921 179 Q CA 0.233 55.740 55.803 -0.494 0.000 0.911 179 Q CB 0.370 28.508 28.738 -1.001 0.000 1.032 179 Q HN 0.204 nan 8.270 nan 0.000 0.510 180 R N 1.495 121.901 120.500 -0.157 0.000 2.486 180 R HA 0.439 4.779 4.340 -0.000 0.000 0.286 180 R C -2.621 173.657 176.300 -0.037 0.000 0.999 180 R CA -2.017 54.012 56.100 -0.118 0.000 0.993 180 R CB 0.004 29.983 30.300 -0.536 0.000 1.084 180 R HN -0.238 nan 8.270 nan 0.000 0.487 181 P HA -0.006 nan 4.420 nan 0.000 0.271 181 P C -0.618 176.852 177.300 0.284 0.000 1.218 181 P CA -0.484 62.703 63.100 0.146 0.000 0.780 181 P CB 0.511 32.297 31.700 0.144 0.000 0.901 182 L N 2.910 124.276 121.223 0.238 0.000 2.410 182 L HA 0.103 4.443 4.340 -0.000 0.000 0.273 182 L C 1.555 178.594 176.870 0.282 0.000 1.152 182 L CA 0.293 55.338 54.840 0.342 0.000 0.855 182 L CB -0.283 42.012 42.059 0.394 0.000 1.129 182 L HN 0.424 nan 8.230 nan 0.000 0.463 183 L N 3.652 125.058 121.223 0.305 0.000 2.515 183 L HA 0.205 4.545 4.340 -0.000 0.000 0.223 183 L C -0.133 176.905 176.870 0.279 0.000 1.079 183 L CA 0.194 55.099 54.840 0.110 0.000 0.857 183 L CB 0.443 42.352 42.059 -0.250 0.000 1.050 183 L HN 0.301 nan 8.230 nan 0.000 0.476 184 V N 0.148 120.234 119.914 0.287 0.000 2.483 184 V HA 0.267 4.387 4.120 -0.000 0.000 0.297 184 V C -0.155 176.029 176.094 0.151 0.000 1.027 184 V CA -1.069 61.347 62.300 0.195 0.000 0.855 184 V CB 1.800 33.679 31.823 0.093 0.000 0.995 184 V HN 0.046 nan 8.190 nan 0.000 0.424 185 K N 2.754 123.127 120.400 -0.045 0.000 2.322 185 K HA 0.198 4.518 4.320 -0.000 0.000 0.283 185 K C -0.019 176.548 176.600 -0.056 0.000 1.042 185 K CA 0.056 56.265 56.287 -0.129 0.000 0.958 185 K CB 0.270 32.523 32.500 -0.412 0.000 0.984 185 K HN 0.810 nan 8.250 nan 0.000 0.473 186 D N 2.226 122.618 120.400 -0.013 0.000 2.800 186 D HA -0.190 4.450 4.640 -0.000 0.000 0.232 186 D C -0.876 175.429 176.300 0.009 0.000 1.137 186 D CA 1.260 55.258 54.000 -0.004 0.000 0.718 186 D CB -0.596 40.189 40.800 -0.024 0.000 1.084 186 D HN 0.586 nan 8.370 nan 0.000 0.432 187 D N -1.394 119.024 120.400 0.029 0.000 2.634 187 D HA 0.400 5.040 4.640 -0.000 0.000 0.236 187 D C 0.968 177.302 176.300 0.058 0.000 1.323 187 D CA 0.225 54.246 54.000 0.035 0.000 0.884 187 D CB 0.377 41.193 40.800 0.027 0.000 1.496 187 D HN 0.004 nan 8.370 nan 0.000 0.525 188 A N 2.263 125.119 122.820 0.059 0.000 1.917 188 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 188 A C 1.700 179.331 177.584 0.079 0.000 1.182 188 A CA 1.699 53.780 52.037 0.074 0.000 0.633 188 A CB -0.097 18.938 19.000 0.059 0.000 0.819 188 A HN 0.465 nan 8.150 nan 0.000 0.448 189 D N -0.269 120.168 120.400 0.061 0.000 2.117 189 D HA -0.011 4.629 4.640 -0.000 0.000 0.198 189 D C 2.285 178.624 176.300 0.064 0.000 0.982 189 D CA 1.534 55.569 54.000 0.058 0.000 0.828 189 D CB -0.467 40.359 40.800 0.042 0.000 0.967 189 D HN 0.422 nan 8.370 nan 0.000 0.464 190 A N 0.683 123.537 122.820 0.057 0.000 1.902 190 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 190 A C 1.971 179.599 177.584 0.073 0.000 1.181 190 A CA 2.119 54.187 52.037 0.051 0.000 0.623 190 A CB -0.754 18.268 19.000 0.037 0.000 0.818 190 A HN 0.239 nan 8.150 nan 0.000 0.443 191 D N -0.393 120.072 120.400 0.109 0.000 2.092 191 D HA -0.185 4.455 4.640 -0.000 0.000 0.193 191 D C 1.344 177.795 176.300 0.251 0.000 0.994 191 D CA 1.663 55.771 54.000 0.180 0.000 0.828 191 D CB -0.165 40.772 40.800 0.228 0.000 0.963 191 D HN 0.349 nan 8.370 nan 0.000 0.450 192 D N -0.321 120.201 120.400 0.203 0.000 2.133 192 D HA -0.190 4.450 4.640 -0.000 0.000 0.192 192 D C 1.968 178.380 176.300 0.186 0.000 1.001 192 D CA 1.705 55.825 54.000 0.200 0.000 0.844 192 D CB -0.604 40.271 40.800 0.124 0.000 0.944 192 D HN 0.354 nan 8.370 nan 0.000 0.447 193 A N 0.327 123.218 122.820 0.117 0.000 1.930 193 A HA -0.173 4.147 4.320 -0.000 0.000 0.217 193 A C 2.119 179.735 177.584 0.053 0.000 1.175 193 A CA 1.885 53.969 52.037 0.078 0.000 0.627 193 A CB -0.535 18.492 19.000 0.046 0.000 0.815 193 A HN 0.212 nan 8.150 nan 0.000 0.443 194 E N -0.780 119.433 120.200 0.022 0.000 2.051 194 E HA -0.215 4.134 4.350 -0.000 0.000 0.192 194 E C 1.694 178.216 176.600 -0.130 0.000 0.991 194 E CA 1.693 58.036 56.400 -0.095 0.000 0.799 194 E CB -0.476 29.122 29.700 -0.170 0.000 0.748 194 E HN 0.718 nan 8.360 nan 0.000 0.449 195 W N 0.761 122.035 121.300 -0.044 0.000 2.355 195 W HA -0.132 4.528 4.660 -0.000 0.000 0.309 195 W C 2.248 178.775 176.519 0.014 0.000 1.206 195 W CA 1.267 58.559 57.345 -0.088 0.000 1.284 195 W CB -0.485 28.969 29.460 -0.010 0.000 1.145 195 W HN 0.257 nan 8.180 nan 0.000 0.502 196 D N 0.017 120.603 120.400 0.311 0.000 2.133 196 D HA -0.242 4.398 4.640 -0.000 0.000 0.195 196 D C 2.137 178.514 176.300 0.127 0.000 0.997 196 D CA 1.677 55.814 54.000 0.228 0.000 0.840 196 D CB -0.252 40.637 40.800 0.147 0.000 0.947 196 D HN -0.045 nan 8.370 nan 0.000 0.452 197 R N -0.445 120.083 120.500 0.047 0.000 2.083 197 R HA -0.112 4.228 4.340 -0.000 0.000 0.237 197 R C 2.477 178.737 176.300 -0.067 0.000 1.137 197 R CA 1.334 57.421 56.100 -0.021 0.000 0.951 197 R CB -0.287 29.980 30.300 -0.055 0.000 0.851 197 R HN 0.283 nan 8.270 nan 0.000 0.434 198 L N -0.941 120.209 121.223 -0.122 0.000 2.056 198 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 198 L C 2.288 179.093 176.870 -0.108 0.000 1.078 198 L CA 1.062 55.779 54.840 -0.206 0.000 0.749 198 L CB -0.601 41.229 42.059 -0.381 0.000 0.901 198 L HN 0.185 nan 8.230 nan 0.000 0.433 199 Y N 0.416 120.720 120.300 0.006 0.000 2.274 199 Y HA -0.212 4.338 4.550 -0.000 0.000 0.290 199 Y C 2.851 178.729 175.900 -0.037 0.000 1.145 199 Y CA 1.439 59.546 58.100 0.012 0.000 1.203 199 Y CB -0.956 37.541 38.460 0.061 0.000 0.984 199 Y HN 0.125 nan 8.280 nan 0.000 0.533 200 T N -0.548 114.073 114.554 0.113 0.000 2.777 200 T HA -0.175 4.175 4.350 -0.000 0.000 0.266 200 T C 1.986 176.656 174.700 -0.049 0.000 1.040 200 T CA 1.500 63.622 62.100 0.036 0.000 1.141 200 T CB -0.114 68.769 68.868 0.024 0.000 0.868 200 T HN 0.209 nan 8.240 nan 0.000 0.444 201 K N 0.876 121.191 120.400 -0.142 0.000 2.026 201 K HA -0.014 4.306 4.320 -0.000 0.000 0.208 201 K C 2.519 178.818 176.600 -0.502 0.000 1.048 201 K CA 1.157 57.239 56.287 -0.341 0.000 0.929 201 K CB -0.304 31.944 32.500 -0.420 0.000 0.713 201 K HN 0.255 nan 8.250 nan 0.000 0.439 202 A N 1.343 123.963 122.820 -0.334 0.000 1.883 202 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 202 A C 1.865 179.447 177.584 -0.003 0.000 1.186 202 A CA 1.928 53.831 52.037 -0.223 0.000 0.624 202 A CB -0.616 18.352 19.000 -0.055 0.000 0.822 202 A HN 0.469 nan 8.150 nan 0.000 0.444 203 E N -0.661 119.584 120.200 0.075 0.000 2.160 203 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 203 E C 2.251 178.939 176.600 0.147 0.000 0.991 203 E CA 1.178 57.667 56.400 0.149 0.000 0.810 203 E CB -0.159 29.601 29.700 0.100 0.000 0.742 203 E HN 0.575 nan 8.360 nan 0.000 0.466 204 S N -0.624 115.118 115.700 0.071 0.000 2.368 204 S HA -0.138 4.332 4.470 -0.000 0.000 0.224 204 S C 1.700 176.449 174.600 0.250 0.000 1.029 204 S CA 0.816 59.086 58.200 0.115 0.000 0.988 204 S CB -0.142 63.091 63.200 0.055 0.000 0.838 204 S HN 0.284 nan 8.310 nan 0.000 0.462 205 Y N 0.295 120.618 120.300 0.039 0.000 2.181 205 Y HA 0.043 4.593 4.550 -0.000 0.000 0.288 205 Y C 2.004 177.961 175.900 0.095 0.000 1.146 205 Y CA 0.233 58.332 58.100 -0.002 0.000 1.164 205 Y CB -1.108 37.274 38.460 -0.130 0.000 0.982 205 Y HN 0.376 nan 8.280 nan 0.000 0.515 206 F N 0.126 120.226 119.950 0.250 0.000 2.710 206 F HA -0.082 4.445 4.527 -0.000 0.000 0.298 206 F C 0.638 176.545 175.800 0.178 0.000 1.137 206 F CA 0.161 58.296 58.000 0.225 0.000 1.444 206 F CB 0.268 39.417 39.000 0.248 0.000 1.111 206 F HN -0.033 nan 8.300 nan 0.000 0.580 207 Q N 0.767 120.762 119.800 0.324 0.000 2.478 207 Q HA -0.174 4.166 4.340 -0.000 0.000 0.286 207 Q C -0.039 176.046 176.000 0.142 0.000 1.299 207 Q CA 0.729 56.644 55.803 0.187 0.000 0.826 207 Q CB -2.601 26.225 28.738 0.147 0.000 1.199 207 Q HN 0.183 nan 8.270 nan 0.000 0.451 208 T N 0.037 114.691 114.554 0.167 0.000 2.928 208 T HA 0.421 4.771 4.350 -0.000 0.000 0.305 208 T C 0.779 175.511 174.700 0.054 0.000 1.035 208 T CA 0.683 62.843 62.100 0.100 0.000 1.145 208 T CB 1.196 70.138 68.868 0.123 0.000 0.963 208 T HN 0.498 nan 8.240 nan 0.000 0.545 209 G N 0.760 109.576 108.800 0.026 0.000 2.682 209 G HA2 0.534 4.494 3.960 -0.000 0.000 0.290 209 G HA3 0.534 4.494 3.960 -0.000 0.000 0.290 209 G C 0.105 175.014 174.900 0.016 0.000 1.425 209 G CA -0.508 44.600 45.100 0.013 0.000 0.807 209 G HN 0.603 nan 8.290 nan 0.000 0.482 210 T N -2.779 111.785 114.554 0.017 0.000 3.200 210 T HA 0.317 4.667 4.350 -0.000 0.000 0.284 210 T C -0.190 174.528 174.700 0.031 0.000 1.009 210 T CA 0.008 62.128 62.100 0.034 0.000 0.907 210 T CB 0.641 69.533 68.868 0.040 0.000 1.120 210 T HN 0.209 nan 8.240 nan 0.000 0.534 211 D N 0.999 121.399 120.400 -0.001 0.000 2.474 211 D HA 0.147 4.787 4.640 -0.000 0.000 0.213 211 D C 1.739 177.985 176.300 -0.091 0.000 1.120 211 D CA 0.159 54.139 54.000 -0.032 0.000 0.836 211 D CB 0.377 41.149 40.800 -0.047 0.000 1.019 211 D HN 0.270 nan 8.370 nan 0.000 0.507 212 Q N -0.603 119.140 119.800 -0.095 0.000 2.369 212 Q HA 0.078 4.418 4.340 -0.000 0.000 0.206 212 Q C 0.362 176.036 176.000 -0.542 0.000 0.963 212 Q CA 0.843 56.466 55.803 -0.301 0.000 0.894 212 Q CB -0.006 28.525 28.738 -0.344 0.000 0.965 212 Q HN 0.256 nan 8.270 nan 0.000 0.475 213 F N 0.027 119.816 119.950 -0.268 0.000 2.698 213 F HA 0.238 4.765 4.527 -0.000 0.000 0.304 213 F C 1.214 176.813 175.800 -0.335 0.000 1.108 213 F CA -0.608 57.195 58.000 -0.328 0.000 1.263 213 F CB 0.237 38.988 39.000 -0.414 0.000 1.013 213 F HN -0.007 nan 8.300 nan 0.000 0.532 214 K N 0.474 120.807 120.400 -0.111 0.000 2.218 214 K HA -0.161 4.159 4.320 -0.000 0.000 0.205 214 K C 0.667 177.223 176.600 -0.073 0.000 1.046 214 K CA 1.824 58.091 56.287 -0.033 0.000 0.933 214 K CB -0.189 32.275 32.500 -0.060 0.000 0.728 214 K HN 0.336 nan 8.250 nan 0.000 0.454 215 E N 1.419 121.481 120.200 -0.229 0.000 2.499 215 E HA 0.049 4.399 4.350 -0.000 0.000 0.199 215 E C -0.656 175.853 176.600 -0.152 0.000 1.016 215 E CA -0.251 55.849 56.400 -0.500 0.000 0.933 215 E CB 0.987 30.249 29.700 -0.729 0.000 1.050 215 E HN 0.236 nan 8.360 nan 0.000 0.462 216 S N 1.210 116.936 115.700 0.043 0.000 2.489 216 S HA 0.123 4.593 4.470 -0.000 0.000 0.277 216 S C 1.111 175.783 174.600 0.120 0.000 1.230 216 S CA -0.535 57.723 58.200 0.097 0.000 1.053 216 S CB 0.658 63.965 63.200 0.178 0.000 0.955 216 S HN 0.386 nan 8.310 nan 0.000 0.488 217 I N 4.993 125.503 120.570 -0.101 0.000 2.315 217 I HA -0.017 4.153 4.170 -0.000 0.000 0.248 217 I C 2.245 178.203 176.117 -0.265 0.000 1.117 217 I CA 0.974 61.972 61.300 -0.504 0.000 1.404 217 I CB -0.181 37.062 38.000 -1.262 0.000 1.071 217 I HN 0.662 nan 8.210 nan 0.000 0.419 218 R N -0.203 120.226 120.500 -0.117 0.000 2.083 218 R HA -0.239 4.101 4.340 -0.000 0.000 0.237 218 R C 2.440 178.773 176.300 0.056 0.000 1.137 218 R CA 2.053 58.137 56.100 -0.025 0.000 0.951 218 R CB -0.988 29.310 30.300 -0.003 0.000 0.851 218 R HN 0.553 nan 8.270 nan 0.000 0.434 219 H N 1.034 120.121 119.070 0.029 0.000 2.319 219 H HA -0.085 4.471 4.556 -0.000 0.000 0.297 219 H C 1.744 177.141 175.328 0.115 0.000 1.097 219 H CA 2.036 58.123 56.048 0.065 0.000 1.285 219 H CB -0.061 29.766 29.762 0.109 0.000 1.368 219 H HN 0.169 nan 8.280 nan 0.000 0.495 220 N N -0.220 118.579 118.700 0.165 0.000 2.250 220 N HA -0.107 4.633 4.740 -0.000 0.000 0.181 220 N C 1.995 177.649 175.510 0.239 0.000 1.017 220 N CA 0.805 53.994 53.050 0.232 0.000 0.866 220 N CB -0.171 38.651 38.487 0.558 0.000 0.985 220 N HN 0.250 nan 8.380 nan 0.000 0.429 221 L N 1.666 123.059 121.223 0.284 0.000 1.978 221 L HA -0.192 4.148 4.340 -0.000 0.000 0.218 221 L C 2.194 179.119 176.870 0.093 0.000 1.075 221 L CA 1.594 56.584 54.840 0.250 0.000 0.767 221 L CB -0.778 41.380 42.059 0.165 0.000 0.890 221 L HN -0.094 nan 8.230 nan 0.000 0.434 222 V N -1.042 118.878 119.914 0.009 0.000 2.323 222 V HA -0.242 3.878 4.120 -0.000 0.000 0.244 222 V C 2.386 178.403 176.094 -0.128 0.000 1.041 222 V CA 1.576 63.844 62.300 -0.053 0.000 1.025 222 V CB -0.598 31.169 31.823 -0.094 0.000 0.656 222 V HN 0.514 nan 8.190 nan 0.000 0.451 223 L N 0.992 122.105 121.223 -0.183 0.000 1.970 223 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 223 L C 2.133 178.929 176.870 -0.123 0.000 1.071 223 L CA 2.481 57.206 54.840 -0.191 0.000 0.751 223 L CB -0.967 40.948 42.059 -0.240 0.000 0.889 223 L HN 0.394 nan 8.230 nan 0.000 0.432 224 N N -0.874 117.807 118.700 -0.032 0.000 2.094 224 N HA -0.277 4.463 4.740 -0.000 0.000 0.191 224 N C 1.789 177.278 175.510 -0.036 0.000 1.023 224 N CA 1.341 54.389 53.050 -0.004 0.000 0.857 224 N CB -0.222 38.289 38.487 0.039 0.000 1.013 224 N HN 0.218 nan 8.380 nan 0.000 0.426 225 K N 1.675 122.052 120.400 -0.038 0.000 2.026 225 K HA -0.042 4.278 4.320 -0.000 0.000 0.208 225 K C 1.725 178.273 176.600 -0.087 0.000 1.048 225 K CA 1.170 57.433 56.287 -0.040 0.000 0.929 225 K CB -0.457 32.039 32.500 -0.007 0.000 0.713 225 K HN 0.147 nan 8.250 nan 0.000 0.439 226 L N 0.021 121.118 121.223 -0.211 0.000 2.046 226 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 226 L C 2.491 179.189 176.870 -0.287 0.000 1.077 226 L CA 1.284 55.882 54.840 -0.403 0.000 0.747 226 L CB -0.715 40.671 42.059 -1.121 0.000 0.896 226 L HN 0.275 nan 8.230 nan 0.000 0.432 227 A N -0.133 122.562 122.820 -0.209 0.000 1.883 227 A HA -0.279 4.041 4.320 -0.000 0.000 0.217 227 A C 2.306 179.953 177.584 0.104 0.000 1.186 227 A CA 2.022 54.111 52.037 0.088 0.000 0.624 227 A CB -0.568 18.492 19.000 0.100 0.000 0.822 227 A HN 0.483 nan 8.150 nan 0.000 0.444 228 E N -0.663 119.556 120.200 0.031 0.000 2.077 228 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 228 E C 1.830 178.439 176.600 0.015 0.000 0.989 228 E CA 1.170 57.582 56.400 0.019 0.000 0.800 228 E CB -0.067 29.626 29.700 -0.012 0.000 0.746 228 E HN 0.542 nan 8.360 nan 0.000 0.452 229 E N -0.307 119.892 120.200 -0.002 0.000 2.152 229 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 229 E C 1.089 177.597 176.600 -0.153 0.000 0.983 229 E CA 0.879 57.218 56.400 -0.101 0.000 0.818 229 E CB -0.069 29.530 29.700 -0.169 0.000 0.758 229 E HN 0.448 nan 8.360 nan 0.000 0.467 230 Y N 0.814 121.156 120.300 0.071 0.000 2.532 230 Y HA 0.134 4.684 4.550 -0.000 0.000 0.283 230 Y C 0.193 176.149 175.900 0.094 0.000 1.181 230 Y CA -0.271 57.899 58.100 0.117 0.000 1.256 230 Y CB -0.037 38.573 38.460 0.251 0.000 1.112 230 Y HN -0.161 nan 8.280 nan 0.000 0.521 231 K N 0.612 121.102 120.400 0.149 0.000 3.698 231 K HA -0.293 4.027 4.320 -0.000 0.000 0.272 231 K C 1.305 177.972 176.600 0.112 0.000 0.805 231 K CA 0.831 57.177 56.287 0.099 0.000 0.610 231 K CB -1.741 30.787 32.500 0.046 0.000 1.713 231 K HN 0.740 nan 8.250 nan 0.000 0.442 232 G N 0.051 108.939 108.800 0.145 0.000 2.162 232 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.260 232 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.260 232 G C 0.709 175.673 174.900 0.106 0.000 0.976 232 G CA 0.692 45.860 45.100 0.114 0.000 0.655 232 G HN 0.583 nan 8.290 nan 0.000 0.533 233 Q N -0.787 119.099 119.800 0.143 0.000 2.187 233 Q HA 0.105 4.445 4.340 -0.000 0.000 0.199 233 Q C 1.323 177.366 176.000 0.073 0.000 0.957 233 Q CA 0.775 56.652 55.803 0.123 0.000 0.857 233 Q CB 0.249 29.090 28.738 0.173 0.000 0.929 233 Q HN 0.544 nan 8.270 nan 0.000 0.453 234 R N 0.963 121.502 120.500 0.064 0.000 2.628 234 R HA 0.314 4.654 4.340 -0.000 0.000 0.288 234 R C -1.526 174.696 176.300 -0.130 0.000 0.980 234 R CA -0.680 55.329 56.100 -0.152 0.000 0.891 234 R CB 1.644 31.622 30.300 -0.537 0.000 1.188 234 R HN -0.021 nan 8.270 nan 0.000 0.450 235 D N 2.221 122.494 120.400 -0.211 0.000 2.225 235 D HA 0.336 4.976 4.640 -0.000 0.000 0.248 235 D C -0.569 175.514 176.300 -0.362 0.000 1.096 235 D CA 0.159 54.085 54.000 -0.124 0.000 0.863 235 D CB 0.794 41.565 40.800 -0.049 0.000 1.156 235 D HN 0.155 nan 8.370 nan 0.000 0.450 236 F N 1.001 120.952 119.950 0.002 0.000 2.492 236 F HA 0.435 4.962 4.527 -0.000 0.000 0.327 236 F C 0.735 176.548 175.800 0.022 0.000 1.079 236 F CA -0.618 57.380 58.000 -0.003 0.000 0.967 236 F CB 1.596 40.592 39.000 -0.008 0.000 1.169 236 F HN 0.227 nan 8.300 nan 0.000 0.472 237 Q N 0.060 119.974 119.800 0.191 0.000 2.737 237 Q HA 0.313 4.653 4.340 -0.000 0.000 0.307 237 Q C -1.650 174.461 176.000 0.186 0.000 0.905 237 Q CA -1.287 54.612 55.803 0.159 0.000 0.753 237 Q CB 1.671 30.468 28.738 0.098 0.000 1.463 237 Q HN 0.608 nan 8.270 nan 0.000 0.455 238 Q N 1.023 120.951 119.800 0.214 0.000 2.332 238 Q HA 0.255 4.595 4.340 -0.000 0.000 0.263 238 Q C -0.416 175.648 176.000 0.107 0.000 0.979 238 Q CA -0.249 55.684 55.803 0.218 0.000 0.885 238 Q CB 0.532 29.363 28.738 0.155 0.000 1.218 238 Q HN 0.575 nan 8.270 nan 0.000 0.405 239 I N 6.804 127.417 120.570 0.071 0.000 2.906 239 I HA -0.125 4.045 4.170 -0.000 0.000 0.301 239 I C -1.975 174.159 176.117 0.028 0.000 1.221 239 I CA -1.032 60.288 61.300 0.033 0.000 1.435 239 I CB -0.038 37.953 38.000 -0.016 0.000 1.345 239 I HN 0.420 nan 8.210 nan 0.000 0.558 240 P HA 0.220 nan 4.420 nan 0.000 0.271 240 P C -0.878 176.414 177.300 -0.013 0.000 1.233 240 P CA 0.172 63.277 63.100 0.007 0.000 0.764 240 P CB 0.467 32.161 31.700 -0.010 0.000 0.825 241 L N 2.519 123.742 121.223 0.000 0.000 2.385 241 L HA 0.614 4.954 4.340 -0.000 0.000 0.273 241 L C 0.232 177.085 176.870 -0.028 0.000 0.990 241 L CA -1.137 53.698 54.840 -0.009 0.000 0.821 241 L CB 2.136 44.260 42.059 0.108 0.000 1.279 241 L HN 0.253 nan 8.230 nan 0.000 0.412 242 A N 3.333 126.085 122.820 -0.112 0.000 2.671 242 A HA 0.763 5.083 4.320 -0.000 0.000 0.306 242 A C 0.047 177.625 177.584 -0.010 0.000 1.473 242 A CA 0.128 52.119 52.037 -0.075 0.000 1.155 242 A CB -0.281 18.543 19.000 -0.293 0.000 1.123 242 A HN 0.807 nan 8.150 nan 0.000 0.545 243 A N 1.826 124.621 122.820 -0.042 0.000 2.590 243 A HA 0.741 5.061 4.320 -0.000 0.000 0.294 243 A C -0.527 176.930 177.584 -0.212 0.000 1.046 243 A CA -0.474 51.443 52.037 -0.200 0.000 0.684 243 A CB 0.725 19.429 19.000 -0.494 0.000 1.279 243 A HN 0.664 nan 8.150 nan 0.000 0.415 244 T N 1.276 115.672 114.554 -0.265 0.000 2.881 244 T HA 0.492 4.842 4.350 -0.000 0.000 0.291 244 T C -0.078 174.449 174.700 -0.289 0.000 0.990 244 T CA -0.435 61.540 62.100 -0.209 0.000 0.976 244 T CB 1.257 70.064 68.868 -0.100 0.000 0.970 244 T HN 0.757 nan 8.240 nan 0.000 0.438 245 R N 2.299 122.615 120.500 -0.308 0.000 2.489 245 R HA 0.213 4.553 4.340 -0.000 0.000 0.287 245 R C 0.854 177.056 176.300 -0.164 0.000 1.053 245 R CA -0.210 55.701 56.100 -0.315 0.000 1.036 245 R CB 0.378 30.464 30.300 -0.357 0.000 0.966 245 R HN 0.423 nan 8.270 nan 0.000 0.432 246 R N 1.240 121.694 120.500 -0.076 0.000 2.307 246 R HA 0.131 4.471 4.340 -0.000 0.000 0.200 246 R C -0.012 176.273 176.300 -0.025 0.000 0.893 246 R CA 0.575 56.669 56.100 -0.010 0.000 1.042 246 R CB 0.482 30.831 30.300 0.082 0.000 1.059 246 R HN 0.787 nan 8.270 nan 0.000 0.530 247 S N -1.471 114.209 115.700 -0.033 0.000 2.627 247 S HA 0.281 4.751 4.470 -0.000 0.000 0.268 247 S C -2.650 171.908 174.600 -0.070 0.000 1.130 247 S CA -0.985 57.192 58.200 -0.038 0.000 0.819 247 S CB 1.850 65.051 63.200 0.001 0.000 1.100 247 S HN -0.259 nan 8.310 nan 0.000 0.465 248 P HA -0.022 nan 4.420 nan 0.000 0.220 248 P C 1.202 178.466 177.300 -0.059 0.000 1.144 248 P CA 2.117 65.169 63.100 -0.080 0.000 0.800 248 P CB -0.326 31.346 31.700 -0.047 0.000 0.772 249 T N -7.163 107.388 114.554 -0.005 0.000 3.003 249 T HA 0.238 4.588 4.350 -0.000 0.000 0.261 249 T C -0.056 174.690 174.700 0.076 0.000 1.003 249 T CA -0.293 61.828 62.100 0.035 0.000 0.917 249 T CB -0.391 68.520 68.868 0.071 0.000 1.084 249 T HN -0.106 nan 8.240 nan 0.000 0.522 250 F N 1.840 121.724 119.950 -0.109 0.000 2.518 250 F HA 0.672 5.199 4.527 -0.000 0.000 0.323 250 F C -1.421 174.242 175.800 -0.228 0.000 1.129 250 F CA -1.175 56.755 58.000 -0.117 0.000 0.920 250 F CB 2.037 40.988 39.000 -0.082 0.000 1.160 250 F HN -0.145 nan 8.300 nan 0.000 0.440 251 V N 5.194 124.609 119.914 -0.832 0.000 2.409 251 V HA 0.270 4.390 4.120 -0.000 0.000 0.291 251 V C -0.428 175.060 176.094 -1.011 0.000 1.020 251 V CA -0.885 60.890 62.300 -0.874 0.000 0.848 251 V CB 1.627 32.759 31.823 -1.153 0.000 0.990 251 V HN 0.722 nan 8.190 nan 0.000 0.430 252 E N 4.437 124.325 120.200 -0.519 0.000 1.996 252 E HA 0.179 4.529 4.350 -0.000 0.000 0.280 252 E C -1.126 175.259 176.600 -0.358 0.000 1.092 252 E CA -0.554 55.706 56.400 -0.234 0.000 0.862 252 E CB 0.466 30.191 29.700 0.042 0.000 1.066 252 E HN 0.631 nan 8.360 nan 0.000 0.396 253 W N 3.021 124.207 121.300 -0.189 0.000 2.238 253 W HA 0.146 4.806 4.660 -0.000 0.000 0.321 253 W C 0.632 177.151 176.519 0.001 0.000 1.293 253 W CA -0.587 56.618 57.345 -0.234 0.000 1.204 253 W CB 0.833 29.901 29.460 -0.654 0.000 1.167 253 W HN 0.315 nan 8.180 nan 0.000 0.553 254 S N 1.864 117.743 115.700 0.298 0.000 2.593 254 S HA 0.536 5.006 4.470 -0.000 0.000 0.269 254 S C 0.181 175.176 174.600 0.658 0.000 1.334 254 S CA -0.480 57.964 58.200 0.406 0.000 1.015 254 S CB 0.930 64.349 63.200 0.365 0.000 0.912 254 S HN 0.515 nan 8.310 nan 0.000 0.541 255 S N -0.295 115.763 115.700 0.598 0.000 2.661 255 S HA 0.685 5.155 4.470 -0.000 0.000 0.268 255 S C 0.770 175.588 174.600 0.363 0.000 1.162 255 S CA -0.378 58.119 58.200 0.495 0.000 0.817 255 S CB 0.556 63.978 63.200 0.370 0.000 1.141 255 S HN 0.760 nan 8.310 nan 0.000 0.477 256 A N 1.873 124.796 122.820 0.172 0.000 1.929 256 A HA -0.277 4.043 4.320 -0.000 0.000 0.221 256 A C 2.039 179.684 177.584 0.102 0.000 1.211 256 A CA 2.470 54.563 52.037 0.093 0.000 0.657 256 A CB -1.716 17.307 19.000 0.038 0.000 0.827 256 A HN 0.921 nan 8.150 nan 0.000 0.462 257 N N -0.828 117.936 118.700 0.106 0.000 2.192 257 N HA -0.165 4.575 4.740 -0.000 0.000 0.188 257 N C 1.545 177.094 175.510 0.066 0.000 1.013 257 N CA 2.080 55.167 53.050 0.061 0.000 0.863 257 N CB -0.257 38.274 38.487 0.074 0.000 0.990 257 N HN 0.519 nan 8.380 nan 0.000 0.430 258 T N 0.342 114.989 114.554 0.154 0.000 2.821 258 T HA -0.047 4.303 4.350 -0.000 0.000 0.267 258 T C 2.059 176.813 174.700 0.090 0.000 1.046 258 T CA 1.018 63.212 62.100 0.157 0.000 1.139 258 T CB -0.167 68.874 68.868 0.287 0.000 0.871 258 T HN 0.059 nan 8.240 nan 0.000 0.454 259 V N -0.372 119.582 119.914 0.067 0.000 2.453 259 V HA 0.154 4.274 4.120 -0.000 0.000 0.247 259 V C 0.439 176.512 176.094 -0.035 0.000 1.048 259 V CA 0.936 63.200 62.300 -0.060 0.000 1.049 259 V CB -0.381 31.356 31.823 -0.143 0.000 0.672 259 V HN 0.491 nan 8.190 nan 0.000 0.457 260 F N 0.902 120.740 119.950 -0.187 0.000 2.651 260 F HA 0.358 4.885 4.527 -0.000 0.000 0.329 260 F C 0.185 175.874 175.800 -0.185 0.000 1.186 260 F CA -1.704 56.153 58.000 -0.238 0.000 1.046 260 F CB 1.282 40.095 39.000 -0.311 0.000 1.296 260 F HN 0.152 nan 8.300 nan 0.000 0.497 261 D N 4.721 124.658 120.400 -0.772 0.000 2.371 261 D HA -0.053 4.587 4.640 -0.000 0.000 0.221 261 D C 1.284 177.258 176.300 -0.544 0.000 0.986 261 D CA 1.225 54.913 54.000 -0.519 0.000 0.899 261 D CB 0.004 40.581 40.800 -0.372 0.000 0.902 261 D HN 0.684 nan 8.370 nan 0.000 0.530 262 L N -2.069 118.581 121.223 -0.956 0.000 4.884 262 L HA -0.249 4.091 4.340 -0.000 0.000 0.430 262 L C -0.182 176.618 176.870 -0.118 0.000 1.087 262 L CA 0.528 55.133 54.840 -0.392 0.000 1.033 262 L CB -1.201 40.825 42.059 -0.054 0.000 2.030 262 L HN 0.245 nan 8.230 nan 0.000 0.762 263 Q N 0.945 120.584 119.800 -0.267 0.000 2.352 263 Q HA 0.193 4.533 4.340 -0.000 0.000 0.260 263 Q C 0.354 176.413 176.000 0.098 0.000 0.976 263 Q CA -0.099 55.654 55.803 -0.083 0.000 0.881 263 Q CB 0.553 29.213 28.738 -0.130 0.000 1.235 263 Q HN 0.140 nan 8.270 nan 0.000 0.419 264 N N 1.995 120.760 118.700 0.107 0.000 2.407 264 N HA 0.024 4.764 4.740 -0.000 0.000 0.250 264 N C -0.385 175.201 175.510 0.126 0.000 1.236 264 N CA 0.537 53.661 53.050 0.123 0.000 0.879 264 N CB 0.482 38.946 38.487 -0.038 0.000 1.088 264 N HN 0.246 nan 8.380 nan 0.000 0.450 265 R N 1.503 122.116 120.500 0.188 0.000 2.686 265 R HA 0.486 4.826 4.340 -0.000 0.000 0.283 265 R C -2.526 173.869 176.300 0.159 0.000 0.978 265 R CA -1.588 54.605 56.100 0.155 0.000 0.897 265 R CB 1.978 32.389 30.300 0.186 0.000 1.192 265 R HN 0.379 nan 8.270 nan 0.000 0.457 266 P HA 0.180 nan 4.420 nan 0.000 0.278 266 P C -1.349 175.993 177.300 0.070 0.000 1.238 266 P CA -0.477 62.696 63.100 0.120 0.000 0.794 266 P CB 0.756 32.558 31.700 0.169 0.000 0.955 267 N N -1.605 117.118 118.700 0.039 0.000 2.902 267 N HA 0.273 5.013 4.740 -0.000 0.000 0.268 267 N C 0.661 176.172 175.510 0.001 0.000 1.450 267 N CA -0.733 52.327 53.050 0.016 0.000 0.819 267 N CB -0.571 37.916 38.487 0.000 0.000 1.540 267 N HN 0.242 nan 8.380 nan 0.000 0.545 268 T N -3.483 111.068 114.554 -0.006 0.000 2.833 268 T HA -0.113 4.237 4.350 -0.000 0.000 0.269 268 T C 0.392 175.080 174.700 -0.021 0.000 1.054 268 T CA 1.409 63.502 62.100 -0.012 0.000 1.135 268 T CB -0.496 68.366 68.868 -0.012 0.000 0.869 268 T HN 0.576 nan 8.240 nan 0.000 0.466 269 D N 1.931 122.315 120.400 -0.026 0.000 2.347 269 D HA 0.294 4.934 4.640 -0.000 0.000 0.213 269 D C 0.832 177.111 176.300 -0.036 0.000 0.985 269 D CA 0.576 54.556 54.000 -0.034 0.000 0.879 269 D CB 0.168 40.943 40.800 -0.043 0.000 0.919 269 D HN 0.611 nan 8.370 nan 0.000 0.526 270 A N 1.355 124.157 122.820 -0.030 0.000 3.307 270 A HA 0.394 4.714 4.320 -0.000 0.000 0.289 270 A C -2.225 175.341 177.584 -0.029 0.000 1.138 270 A CA -0.844 51.175 52.037 -0.030 0.000 0.860 270 A CB 1.011 20.002 19.000 -0.016 0.000 1.318 270 A HN -0.188 nan 8.150 nan 0.000 0.551 271 P HA -0.024 nan 4.420 nan 0.000 0.229 271 P C 0.681 177.877 177.300 -0.173 0.000 1.160 271 P CA 1.069 64.131 63.100 -0.064 0.000 0.777 271 P CB 0.418 32.079 31.700 -0.065 0.000 0.814 272 E N -0.288 119.772 120.200 -0.235 0.000 2.501 272 E HA 0.113 4.463 4.350 -0.000 0.000 0.200 272 E C 0.033 176.485 176.600 -0.246 0.000 1.016 272 E CA 0.102 56.227 56.400 -0.457 0.000 0.921 272 E CB 0.409 29.848 29.700 -0.435 0.000 1.034 272 E HN 0.490 nan 8.360 nan 0.000 0.468 273 E N 1.058 121.221 120.200 -0.062 0.000 2.222 273 E HA 0.423 4.773 4.350 -0.000 0.000 0.272 273 E C -0.246 176.456 176.600 0.169 0.000 0.982 273 E CA -0.507 55.926 56.400 0.055 0.000 0.842 273 E CB 1.499 31.240 29.700 0.068 0.000 1.144 273 E HN -0.117 nan 8.360 nan 0.000 0.397 274 R N 2.009 122.640 120.500 0.218 0.000 2.435 274 R HA 0.430 4.770 4.340 -0.000 0.000 0.308 274 R C -1.497 174.987 176.300 0.306 0.000 0.975 274 R CA -0.525 55.730 56.100 0.259 0.000 0.867 274 R CB 0.982 31.439 30.300 0.261 0.000 1.171 274 R HN 0.407 nan 8.270 nan 0.000 0.470 275 F N 2.340 122.348 119.950 0.096 0.000 2.605 275 F HA 0.424 4.951 4.527 -0.000 0.000 0.320 275 F C -1.626 174.151 175.800 -0.039 0.000 1.159 275 F CA -0.649 57.383 58.000 0.053 0.000 0.999 275 F CB 1.884 40.971 39.000 0.145 0.000 1.258 275 F HN 0.400 nan 8.300 nan 0.000 0.464 276 N N 4.990 123.135 118.700 -0.924 0.000 2.296 276 N HA 0.606 5.346 4.740 -0.000 0.000 0.294 276 N C -1.941 172.610 175.510 -1.598 0.000 1.033 276 N CA -0.688 51.706 53.050 -1.093 0.000 0.839 276 N CB 2.427 40.419 38.487 -0.825 0.000 1.395 276 N HN 0.580 nan 8.380 nan 0.000 0.479 277 L N 2.327 122.790 121.223 -1.267 0.000 2.295 277 L HA 0.636 4.976 4.340 -0.000 0.000 0.285 277 L C -1.630 174.683 176.870 -0.927 0.000 1.035 277 L CA -0.261 54.053 54.840 -0.876 0.000 0.806 277 L CB 0.231 42.112 42.059 -0.297 0.000 1.214 277 L HN 0.457 nan 8.230 nan 0.000 0.426 278 F N 6.283 125.961 119.950 -0.454 0.000 2.359 278 F HA 0.540 5.067 4.527 -0.000 0.000 0.369 278 F C -2.110 173.630 175.800 -0.099 0.000 1.084 278 F CA -2.049 55.792 58.000 -0.264 0.000 1.096 278 F CB 0.755 39.579 39.000 -0.294 0.000 1.335 278 F HN 0.412 nan 8.300 nan 0.000 0.457 279 P HA 0.321 nan 4.420 nan 0.000 0.276 279 P C -0.033 177.327 177.300 0.100 0.000 1.252 279 P CA -0.265 62.876 63.100 0.069 0.000 0.802 279 P CB 1.142 32.861 31.700 0.033 0.000 1.035 280 A N -0.635 122.229 122.820 0.074 0.000 2.822 280 A HA -0.101 4.219 4.320 -0.000 0.000 0.287 280 A C -0.030 177.594 177.584 0.067 0.000 1.479 280 A CA 0.761 52.836 52.037 0.064 0.000 0.779 280 A CB -2.447 16.589 19.000 0.061 0.000 1.022 280 A HN 0.264 nan 8.150 nan 0.000 0.532 281 V N -0.293 119.678 119.914 0.095 0.000 2.376 281 V HA 0.662 4.782 4.120 -0.000 0.000 0.287 281 V C 0.633 176.743 176.094 0.026 0.000 1.015 281 V CA -0.322 62.037 62.300 0.098 0.000 0.834 281 V CB 1.442 33.425 31.823 0.265 0.000 1.001 281 V HN 1.451 nan 8.190 nan 0.000 0.428 282 A N 4.309 127.112 122.820 -0.029 0.000 2.350 282 A HA 0.429 4.749 4.320 -0.000 0.000 0.293 282 A C 0.260 177.824 177.584 -0.033 0.000 1.231 282 A CA -0.178 51.822 52.037 -0.063 0.000 0.883 282 A CB -0.232 18.756 19.000 -0.020 0.000 1.133 282 A HN 0.875 nan 8.150 nan 0.000 0.533 283 C N 2.631 121.888 119.300 -0.071 0.000 2.593 283 C HA 0.323 4.783 4.460 -0.000 0.000 0.409 283 C C 1.402 176.358 174.990 -0.057 0.000 1.304 283 C CA -0.210 58.755 59.018 -0.088 0.000 2.007 283 C CB -0.250 27.428 27.740 -0.102 0.000 2.614 283 C HN 1.002 nan 8.230 nan 0.000 0.585 284 E N 0.619 120.799 120.200 -0.032 0.000 2.354 284 E HA 0.126 4.476 4.350 -0.000 0.000 0.203 284 E C 0.054 176.630 176.600 -0.040 0.000 0.841 284 E CA 0.237 56.627 56.400 -0.017 0.000 1.046 284 E CB 0.460 30.175 29.700 0.024 0.000 1.040 284 E HN 0.652 nan 8.360 nan 0.000 0.504 285 R N 0.981 121.451 120.500 -0.049 0.000 2.668 285 R HA 0.400 4.740 4.340 -0.000 0.000 0.272 285 R C -0.796 175.411 176.300 -0.156 0.000 1.019 285 R CA -0.719 55.319 56.100 -0.104 0.000 0.894 285 R CB 2.262 32.477 30.300 -0.141 0.000 1.228 285 R HN -0.096 nan 8.270 nan 0.000 0.460 286 V N -0.670 119.144 119.914 -0.167 0.000 2.439 286 V HA 0.492 4.612 4.120 -0.000 0.000 0.282 286 V C 0.188 176.141 176.094 -0.235 0.000 1.039 286 V CA -0.813 61.346 62.300 -0.235 0.000 0.913 286 V CB 1.563 33.239 31.823 -0.245 0.000 0.983 286 V HN 0.439 nan 8.190 nan 0.000 0.460 287 V N 5.828 125.560 119.914 -0.303 0.000 2.432 287 V HA 0.436 4.556 4.120 -0.000 0.000 0.275 287 V C 0.635 176.647 176.094 -0.136 0.000 1.043 287 V CA -0.394 61.755 62.300 -0.251 0.000 0.925 287 V CB 0.866 32.513 31.823 -0.293 0.000 0.985 287 V HN 0.954 nan 8.190 nan 0.000 0.466 288 R N 3.964 124.418 120.500 -0.077 0.000 2.357 288 R HA 0.310 4.649 4.340 -0.000 0.000 0.296 288 R C 0.422 176.747 176.300 0.041 0.000 1.052 288 R CA -0.530 55.608 56.100 0.063 0.000 0.988 288 R CB 0.563 30.887 30.300 0.041 0.000 1.025 288 R HN 0.875 nan 8.270 nan 0.000 0.469 289 N N 1.923 120.671 118.700 0.079 0.000 2.317 289 N HA -0.002 4.738 4.740 -0.000 0.000 0.245 289 N C 0.576 176.082 175.510 -0.006 0.000 1.294 289 N CA 0.239 53.303 53.050 0.023 0.000 0.924 289 N CB 0.448 38.949 38.487 0.024 0.000 1.186 289 N HN 0.539 nan 8.380 nan 0.000 0.495 290 A N -0.206 122.603 122.820 -0.017 0.000 1.933 290 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 290 A C 1.856 179.413 177.584 -0.046 0.000 1.175 290 A CA 0.978 52.998 52.037 -0.028 0.000 0.628 290 A CB -0.620 18.367 19.000 -0.020 0.000 0.814 290 A HN 0.510 nan 8.150 nan 0.000 0.444 291 L N 0.167 121.353 121.223 -0.062 0.000 2.610 291 L HA 0.066 4.406 4.340 -0.000 0.000 0.232 291 L C 0.179 176.955 176.870 -0.157 0.000 1.149 291 L CA 0.460 55.246 54.840 -0.090 0.000 0.872 291 L CB -1.357 40.651 42.059 -0.085 0.000 0.992 291 L HN 0.462 nan 8.230 nan 0.000 0.447 292 N N -0.344 118.248 118.700 -0.179 0.000 2.716 292 N HA -0.225 4.515 4.740 -0.000 0.000 0.250 292 N C 1.098 176.047 175.510 -0.934 0.000 1.033 292 N CA 0.984 53.815 53.050 -0.365 0.000 0.727 292 N CB -1.182 37.221 38.487 -0.139 0.000 0.950 292 N HN 0.566 nan 8.380 nan 0.000 0.541 293 S N -2.011 113.277 115.700 -0.686 0.000 2.540 293 S HA 0.260 4.730 4.470 -0.000 0.000 0.222 293 S C 0.318 174.666 174.600 -0.420 0.000 1.008 293 S CA -0.163 57.691 58.200 -0.576 0.000 0.939 293 S CB 1.578 64.636 63.200 -0.236 0.000 0.865 293 S HN 0.391 nan 8.310 nan 0.000 0.499 294 E N 0.031 120.089 120.200 -0.237 0.000 2.388 294 E HA 0.372 4.722 4.350 -0.000 0.000 0.280 294 E C -1.843 174.971 176.600 0.357 0.000 1.019 294 E CA -0.787 55.725 56.400 0.186 0.000 0.806 294 E CB 1.329 31.101 29.700 0.118 0.000 1.246 294 E HN 0.089 nan 8.360 nan 0.000 0.443 295 I N 3.295 124.035 120.570 0.283 0.000 2.342 295 I HA 0.136 4.306 4.170 -0.000 0.000 0.291 295 I C 1.056 177.140 176.117 -0.055 0.000 1.010 295 I CA 0.187 61.479 61.300 -0.014 0.000 1.308 295 I CB 1.209 38.985 38.000 -0.372 0.000 1.400 295 I HN 0.661 nan 8.210 nan 0.000 0.488 296 E N 3.303 123.458 120.200 -0.074 0.000 2.364 296 E HA 0.076 4.426 4.350 -0.000 0.000 0.196 296 E C 0.185 176.817 176.600 0.053 0.000 0.990 296 E CA 0.388 56.807 56.400 0.032 0.000 0.886 296 E CB 0.669 30.391 29.700 0.036 0.000 0.866 296 E HN 0.743 nan 8.360 nan 0.000 0.493 297 S N -0.440 115.185 115.700 -0.124 0.000 2.627 297 S HA 0.437 4.907 4.470 -0.000 0.000 0.268 297 S C -1.486 173.029 174.600 -0.142 0.000 1.130 297 S CA -1.067 57.139 58.200 0.010 0.000 0.819 297 S CB 1.245 64.529 63.200 0.141 0.000 1.100 297 S HN 0.025 nan 8.310 nan 0.000 0.465 298 L N 1.551 122.828 121.223 0.089 0.000 2.313 298 L HA 0.604 4.944 4.340 -0.000 0.000 0.283 298 L C -0.897 176.057 176.870 0.139 0.000 1.013 298 L CA -0.134 54.722 54.840 0.026 0.000 0.816 298 L CB 1.098 43.206 42.059 0.080 0.000 1.236 298 L HN 0.906 nan 8.230 nan 0.000 0.419 299 H N 6.116 125.134 119.070 -0.087 0.000 2.552 299 H HA 0.528 5.084 4.556 -0.000 0.000 0.311 299 H C -0.368 174.903 175.328 -0.095 0.000 1.071 299 H CA -0.672 55.332 56.048 -0.073 0.000 1.307 299 H CB 1.297 31.022 29.762 -0.061 0.000 1.416 299 H HN 0.685 nan 8.280 nan 0.000 0.464 300 I N -0.096 120.474 120.570 0.000 0.000 2.846 300 I HA 0.411 4.581 4.170 -0.000 0.000 0.307 300 I C -0.798 175.374 176.117 0.091 0.000 1.053 300 I CA -0.948 60.330 61.300 -0.037 0.000 1.050 300 I CB 2.832 40.693 38.000 -0.232 0.000 1.239 300 I HN 0.591 nan 8.210 nan 0.000 0.439 301 H N 3.147 122.211 119.070 -0.010 0.000 2.727 301 H HA 0.222 4.778 4.556 -0.000 0.000 0.330 301 H C -1.491 173.883 175.328 0.076 0.000 0.986 301 H CA -0.676 55.386 56.048 0.025 0.000 1.251 301 H CB 1.590 31.365 29.762 0.021 0.000 1.493 301 H HN 0.788 nan 8.280 nan 0.000 0.515 302 D N 6.446 126.932 120.400 0.143 0.000 2.393 302 D HA 0.019 4.659 4.640 -0.000 0.000 0.232 302 D C 1.159 177.397 176.300 -0.103 0.000 1.192 302 D CA -0.254 53.795 54.000 0.082 0.000 0.882 302 D CB 0.858 41.827 40.800 0.282 0.000 1.038 302 D HN 0.685 nan 8.370 nan 0.000 0.499 303 L N 3.790 124.899 121.223 -0.190 0.000 2.275 303 L HA -0.149 4.191 4.340 -0.000 0.000 0.215 303 L C 2.030 178.869 176.870 -0.051 0.000 1.119 303 L CA 0.230 54.943 54.840 -0.211 0.000 0.790 303 L CB -0.206 41.792 42.059 -0.101 0.000 0.919 303 L HN 0.494 nan 8.230 nan 0.000 0.443 304 I N 0.003 120.578 120.570 0.008 0.000 2.193 304 I HA -0.200 3.970 4.170 -0.000 0.000 0.240 304 I C 2.807 178.952 176.117 0.047 0.000 1.084 304 I CA 1.896 63.217 61.300 0.035 0.000 1.365 304 I CB -1.207 36.824 38.000 0.051 0.000 1.064 304 I HN 0.324 nan 8.210 nan 0.000 0.410 305 S N 0.101 115.844 115.700 0.072 0.000 2.425 305 S HA 0.121 4.591 4.470 -0.000 0.000 0.225 305 S C 1.794 176.446 174.600 0.086 0.000 1.024 305 S CA 0.756 59.008 58.200 0.087 0.000 0.951 305 S CB -0.084 63.194 63.200 0.130 0.000 0.796 305 S HN 0.613 nan 8.310 nan 0.000 0.498 306 G N 0.881 109.742 108.800 0.102 0.000 2.141 306 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.231 306 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.231 306 G C -0.481 174.538 174.900 0.198 0.000 0.984 306 G CA 0.100 45.311 45.100 0.184 0.000 0.660 306 G HN 0.539 nan 8.290 nan 0.000 0.525 307 D N 0.159 120.634 120.400 0.125 0.000 2.253 307 D HA 0.533 5.173 4.640 -0.000 0.000 0.249 307 D C 0.764 176.973 176.300 -0.152 0.000 1.049 307 D CA -0.168 53.774 54.000 -0.096 0.000 0.929 307 D CB 0.733 41.390 40.800 -0.238 0.000 1.176 307 D HN 0.283 nan 8.370 nan 0.000 0.437 308 R N 1.460 121.719 120.500 -0.401 0.000 2.393 308 R HA 0.500 4.840 4.340 -0.000 0.000 0.310 308 R C -0.674 175.246 176.300 -0.633 0.000 0.968 308 R CA -0.583 55.318 56.100 -0.332 0.000 0.867 308 R CB 1.054 31.197 30.300 -0.262 0.000 1.124 308 R HN 0.267 nan 8.270 nan 0.000 0.450 309 F N 0.209 120.091 119.950 -0.114 0.000 2.579 309 F HA 0.323 4.850 4.527 -0.000 0.000 0.324 309 F C 0.362 176.048 175.800 -0.190 0.000 1.058 309 F CA -0.930 56.987 58.000 -0.138 0.000 0.944 309 F CB 1.752 40.688 39.000 -0.105 0.000 1.245 309 F HN 0.377 nan 8.300 nan 0.000 0.477 310 E N 2.524 122.752 120.200 0.047 0.000 2.158 310 E HA 0.470 4.820 4.350 -0.000 0.000 0.271 310 E C -1.583 175.087 176.600 0.118 0.000 0.911 310 E CA -0.529 55.894 56.400 0.038 0.000 0.767 310 E CB 1.060 30.748 29.700 -0.021 0.000 1.120 310 E HN 0.400 nan 8.360 nan 0.000 0.405 311 I N 3.495 124.144 120.570 0.132 0.000 2.474 311 I HA 0.370 4.540 4.170 -0.000 0.000 0.294 311 I C -0.280 175.985 176.117 0.246 0.000 1.005 311 I CA -0.955 60.439 61.300 0.156 0.000 1.113 311 I CB 1.417 39.459 38.000 0.071 0.000 1.289 311 I HN 0.498 nan 8.210 nan 0.000 0.436 312 K N 3.710 124.252 120.400 0.235 0.000 2.207 312 K HA 0.879 5.199 4.320 -0.000 0.000 0.255 312 K C -0.708 175.986 176.600 0.157 0.000 0.941 312 K CA -0.333 56.102 56.287 0.247 0.000 0.825 312 K CB 2.308 34.910 32.500 0.170 0.000 1.119 312 K HN 0.813 nan 8.250 nan 0.000 0.430 313 A N 1.446 124.264 122.820 -0.003 0.000 2.593 313 A HA 0.405 4.725 4.320 -0.000 0.000 0.290 313 A C -0.449 177.000 177.584 -0.225 0.000 1.126 313 A CA -0.617 51.276 52.037 -0.240 0.000 0.695 313 A CB 0.849 19.532 19.000 -0.528 0.000 1.290 313 A HN 0.650 nan 8.150 nan 0.000 0.414 314 D N -0.599 119.711 120.400 -0.151 0.000 2.123 314 D HA 0.103 4.743 4.640 -0.000 0.000 0.200 314 D C 0.354 176.525 176.300 -0.216 0.000 0.976 314 D CA 1.782 55.751 54.000 -0.050 0.000 0.831 314 D CB 0.141 40.963 40.800 0.037 0.000 0.974 314 D HN 0.229 nan 8.370 nan 0.000 0.469 315 V N 0.719 120.362 119.914 -0.452 0.000 2.588 315 V HA 0.288 4.408 4.120 -0.000 0.000 0.304 315 V C -1.270 174.560 176.094 -0.441 0.000 1.042 315 V CA -0.871 61.168 62.300 -0.435 0.000 0.877 315 V CB 1.710 33.167 31.823 -0.611 0.000 0.996 315 V HN -0.053 nan 8.190 nan 0.000 0.425 316 Y N 2.943 123.224 120.300 -0.031 0.000 2.328 316 Y HA 0.697 5.247 4.550 -0.000 0.000 0.336 316 Y C -0.144 175.719 175.900 -0.061 0.000 0.960 316 Y CA -1.024 57.048 58.100 -0.046 0.000 1.134 316 Y CB 2.087 40.520 38.460 -0.045 0.000 1.166 316 Y HN 0.346 nan 8.280 nan 0.000 0.464 317 V N 5.526 125.418 119.914 -0.036 0.000 2.407 317 V HA 0.390 4.510 4.120 -0.000 0.000 0.291 317 V C -0.459 175.509 176.094 -0.210 0.000 1.018 317 V CA -0.899 61.263 62.300 -0.230 0.000 0.842 317 V CB 1.483 32.959 31.823 -0.579 0.000 0.996 317 V HN 0.594 nan 8.190 nan 0.000 0.426 318 L N 5.225 126.321 121.223 -0.210 0.000 2.262 318 L HA 0.575 4.915 4.340 -0.000 0.000 0.288 318 L C 0.404 177.177 176.870 -0.161 0.000 1.035 318 L CA -0.162 54.574 54.840 -0.174 0.000 0.820 318 L CB 1.359 43.300 42.059 -0.197 0.000 1.204 318 L HN 0.795 nan 8.230 nan 0.000 0.424 319 T N -1.482 113.012 114.554 -0.100 0.000 3.630 319 T HA 0.395 4.745 4.350 -0.000 0.000 0.238 319 T C 0.575 175.281 174.700 0.009 0.000 1.195 319 T CA -0.171 61.908 62.100 -0.034 0.000 1.433 319 T CB 1.030 69.879 68.868 -0.030 0.000 0.940 319 T HN 0.531 nan 8.240 nan 0.000 0.641 320 A N 0.831 123.665 122.820 0.024 0.000 2.415 320 A HA 0.778 5.098 4.320 -0.000 0.000 0.248 320 A C 1.356 179.014 177.584 0.122 0.000 1.299 320 A CA 0.033 52.103 52.037 0.056 0.000 0.899 320 A CB -0.831 18.194 19.000 0.042 0.000 0.997 320 A HN 1.771 nan 8.150 nan 0.000 0.506 321 G N -2.466 106.406 108.800 0.119 0.000 2.690 321 G HA2 0.257 4.217 3.960 -0.000 0.000 0.686 321 G HA3 0.257 4.217 3.960 -0.000 0.000 0.686 321 G C 0.763 175.763 174.900 0.167 0.000 1.277 321 G CA -0.322 44.861 45.100 0.138 0.000 0.799 321 G HN 1.306 nan 8.290 nan 0.000 0.613 322 A N -0.155 122.751 122.820 0.144 0.000 1.940 322 A HA 0.158 4.478 4.320 -0.000 0.000 0.219 322 A C 2.664 180.330 177.584 0.136 0.000 1.176 322 A CA 3.281 55.394 52.037 0.126 0.000 0.631 322 A CB -0.377 18.674 19.000 0.085 0.000 0.814 322 A HN 1.616 nan 8.150 nan 0.000 0.446 323 V N -1.078 118.883 119.914 0.080 0.000 2.346 323 V HA -0.190 3.930 4.120 -0.000 0.000 0.244 323 V C 2.225 178.313 176.094 -0.009 0.000 1.037 323 V CA 2.187 64.494 62.300 0.013 0.000 1.029 323 V CB -0.974 30.749 31.823 -0.167 0.000 0.663 323 V HN 0.738 nan 8.190 nan 0.000 0.454 324 H N -0.397 118.744 119.070 0.117 0.000 2.482 324 H HA 0.004 4.560 4.556 -0.000 0.000 0.286 324 H C 2.300 177.615 175.328 -0.021 0.000 1.017 324 H CA 0.939 57.006 56.048 0.032 0.000 1.322 324 H CB 0.074 29.840 29.762 0.007 0.000 1.426 324 H HN 0.310 nan 8.280 nan 0.000 0.546 325 N N -0.042 118.728 118.700 0.118 0.000 2.061 325 N HA -0.141 4.599 4.740 -0.000 0.000 0.193 325 N C 1.765 177.269 175.510 -0.011 0.000 1.030 325 N CA 1.992 55.054 53.050 0.020 0.000 0.856 325 N CB -0.585 37.923 38.487 0.035 0.000 1.023 325 N HN 0.319 nan 8.380 nan 0.000 0.424 326 T N 0.774 115.386 114.554 0.096 0.000 2.746 326 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 326 T C 1.831 176.384 174.700 -0.245 0.000 1.039 326 T CA 1.081 63.227 62.100 0.077 0.000 1.142 326 T CB -0.251 68.794 68.868 0.295 0.000 0.866 326 T HN 0.346 nan 8.240 nan 0.000 0.444 327 Q N 0.385 119.877 119.800 -0.512 0.000 2.061 327 Q HA -0.104 4.236 4.340 -0.000 0.000 0.204 327 Q C 2.333 178.047 176.000 -0.477 0.000 0.984 327 Q CA 1.303 56.472 55.803 -1.056 0.000 0.846 327 Q CB -0.324 28.082 28.738 -0.554 0.000 0.902 327 Q HN 0.480 nan 8.270 nan 0.000 0.421 328 L N 0.211 121.294 121.223 -0.234 0.000 2.046 328 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 328 L C 2.298 179.086 176.870 -0.137 0.000 1.077 328 L CA 0.909 55.656 54.840 -0.154 0.000 0.747 328 L CB -0.101 41.889 42.059 -0.114 0.000 0.896 328 L HN 0.336 nan 8.230 nan 0.000 0.432 329 L N -1.696 119.437 121.223 -0.150 0.000 2.093 329 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 329 L C 2.379 179.302 176.870 0.088 0.000 1.085 329 L CA 0.622 55.415 54.840 -0.078 0.000 0.755 329 L CB -0.427 41.483 42.059 -0.249 0.000 0.904 329 L HN 0.054 nan 8.230 nan 0.000 0.435 330 V N -0.000 119.890 119.914 -0.040 0.000 2.358 330 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 330 V C 2.137 178.217 176.094 -0.023 0.000 1.047 330 V CA 1.933 64.230 62.300 -0.004 0.000 1.035 330 V CB -0.639 31.148 31.823 -0.059 0.000 0.658 330 V HN 0.481 nan 8.190 nan 0.000 0.452 331 N N 0.050 118.695 118.700 -0.092 0.000 2.453 331 N HA -0.105 4.635 4.740 -0.000 0.000 0.183 331 N C 1.560 177.046 175.510 -0.041 0.000 1.041 331 N CA 1.215 54.228 53.050 -0.063 0.000 0.900 331 N CB -0.044 38.392 38.487 -0.086 0.000 0.961 331 N HN 0.380 nan 8.380 nan 0.000 0.443 332 S N -1.572 114.122 115.700 -0.010 0.000 2.556 332 S HA 0.329 4.799 4.470 -0.000 0.000 0.216 332 S C 1.022 175.565 174.600 -0.095 0.000 0.970 332 S CA 0.271 58.459 58.200 -0.020 0.000 0.912 332 S CB 0.562 63.808 63.200 0.076 0.000 0.790 332 S HN 0.551 nan 8.310 nan 0.000 0.504 333 G N 1.024 109.778 108.800 -0.076 0.000 2.159 333 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.227 333 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.227 333 G C -0.080 174.661 174.900 -0.264 0.000 0.986 333 G CA -0.545 44.451 45.100 -0.172 0.000 0.651 333 G HN 0.407 nan 8.290 nan 0.000 0.523 334 F N 0.659 120.575 119.950 -0.057 0.000 2.378 334 F HA 0.587 5.114 4.527 -0.000 0.000 0.325 334 F C 1.651 177.458 175.800 0.012 0.000 1.097 334 F CA 0.736 58.716 58.000 -0.034 0.000 1.079 334 F CB 0.844 39.794 39.000 -0.084 0.000 1.240 334 F HN 0.708 nan 8.300 nan 0.000 0.519 335 G N 1.391 110.332 108.800 0.235 0.000 2.594 335 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.297 335 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.297 335 G C -0.662 174.313 174.900 0.125 0.000 1.273 335 G CA 0.105 45.310 45.100 0.176 0.000 0.974 335 G HN 0.810 nan 8.290 nan 0.000 0.552 336 Q N -0.969 118.912 119.800 0.134 0.000 2.292 336 Q HA 0.589 4.929 4.340 -0.000 0.000 0.270 336 Q C -0.870 175.212 176.000 0.138 0.000 1.024 336 Q CA -1.010 54.853 55.803 0.100 0.000 0.768 336 Q CB 1.627 30.404 28.738 0.064 0.000 1.250 336 Q HN 0.728 nan 8.270 nan 0.000 0.447 337 L N 3.608 124.901 121.223 0.117 0.000 2.426 337 L HA 0.657 4.997 4.340 -0.000 0.000 0.271 337 L C 0.420 177.372 176.870 0.138 0.000 1.169 337 L CA 2.041 56.975 54.840 0.157 0.000 0.836 337 L CB 0.808 42.935 42.059 0.113 0.000 1.112 337 L HN 0.834 nan 8.230 nan 0.000 0.465 338 G N 3.704 112.642 108.800 0.230 0.000 2.757 338 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.638 338 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.638 338 G C -0.411 174.421 174.900 -0.114 0.000 1.344 338 G CA -0.223 44.982 45.100 0.175 0.000 0.855 338 G HN 0.940 nan 8.290 nan 0.000 0.537 339 R N 0.689 120.898 120.500 -0.484 0.000 2.494 339 R HA 0.251 4.591 4.340 -0.000 0.000 0.291 339 R C -1.871 173.978 176.300 -0.750 0.000 0.953 339 R CA -0.158 55.213 56.100 -1.215 0.000 1.098 339 R CB -0.073 29.811 30.300 -0.693 0.000 0.911 339 R HN 0.355 nan 8.270 nan 0.000 0.407 340 P HA 0.021 nan 4.420 nan 0.000 0.267 340 P C -1.298 175.835 177.300 -0.279 0.000 1.205 340 P CA 0.163 63.002 63.100 -0.434 0.000 0.765 340 P CB 0.567 32.027 31.700 -0.400 0.000 0.828 341 N N 3.372 121.970 118.700 -0.170 0.000 2.607 341 N HA 0.289 5.029 4.740 -0.000 0.000 0.271 341 N C -2.388 173.078 175.510 -0.073 0.000 1.142 341 N CA -1.969 51.010 53.050 -0.118 0.000 0.810 341 N CB 1.044 39.467 38.487 -0.107 0.000 1.306 341 N HN -0.018 nan 8.380 nan 0.000 0.536 342 P HA -0.089 nan 4.420 nan 0.000 0.223 342 P C 1.245 178.528 177.300 -0.027 0.000 1.151 342 P CA 1.100 64.176 63.100 -0.039 0.000 0.787 342 P CB 0.174 31.851 31.700 -0.038 0.000 0.788 343 T N -3.795 110.740 114.554 -0.031 0.000 2.915 343 T HA -0.048 4.302 4.350 -0.000 0.000 0.269 343 T C 0.992 175.681 174.700 -0.019 0.000 1.071 343 T CA 0.898 62.984 62.100 -0.023 0.000 1.132 343 T CB -0.735 68.118 68.868 -0.025 0.000 0.878 343 T HN -0.061 nan 8.240 nan 0.000 0.479 344 N N 3.118 121.804 118.700 -0.022 0.000 3.012 344 N HA 0.309 5.049 4.740 -0.000 0.000 0.270 344 N C -2.871 172.633 175.510 -0.010 0.000 1.469 344 N CA -1.102 51.939 53.050 -0.015 0.000 0.928 344 N CB 1.573 40.049 38.487 -0.018 0.000 1.219 344 N HN 0.486 nan 8.380 nan 0.000 0.492 345 P HA 0.199 nan 4.420 nan 0.000 0.272 345 P C -2.477 174.833 177.300 0.016 0.000 1.223 345 P CA -0.772 62.333 63.100 0.008 0.000 0.784 345 P CB 0.011 31.719 31.700 0.012 0.000 0.923 346 P HA 0.149 nan 4.420 nan 0.000 0.271 346 P C 0.972 178.293 177.300 0.035 0.000 1.218 346 P CA -0.068 63.055 63.100 0.037 0.000 0.780 346 P CB 1.097 32.836 31.700 0.064 0.000 0.901 347 E N 0.569 120.782 120.200 0.022 0.000 2.058 347 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 347 E C 0.253 176.878 176.600 0.043 0.000 0.997 347 E CA 1.147 57.557 56.400 0.016 0.000 0.801 347 E CB 0.024 29.718 29.700 -0.010 0.000 0.746 347 E HN 0.434 nan 8.360 nan 0.000 0.450 348 L N 0.357 121.616 121.223 0.060 0.000 2.362 348 L HA 0.285 4.625 4.340 -0.000 0.000 0.271 348 L C 0.030 177.020 176.870 0.199 0.000 1.002 348 L CA -0.728 54.193 54.840 0.135 0.000 0.818 348 L CB 2.026 44.150 42.059 0.107 0.000 1.298 348 L HN 0.067 nan 8.230 nan 0.000 0.420 349 L N 2.888 124.250 121.223 0.231 0.000 3.746 349 L HA -0.167 4.173 4.340 -0.000 0.000 0.542 349 L C -1.428 175.550 176.870 0.180 0.000 1.268 349 L CA -0.426 54.550 54.840 0.226 0.000 0.818 349 L CB -0.812 41.413 42.059 0.276 0.000 1.472 349 L HN 0.610 nan 8.230 nan 0.000 0.843 350 P HA -0.113 nan 4.420 nan 0.000 0.225 350 P C 1.245 178.640 177.300 0.159 0.000 1.148 350 P CA 1.006 64.181 63.100 0.127 0.000 0.779 350 P CB 0.345 32.102 31.700 0.094 0.000 0.780 351 S N -0.751 115.060 115.700 0.185 0.000 2.548 351 S HA 0.072 4.542 4.470 -0.000 0.000 0.215 351 S C 0.794 175.548 174.600 0.256 0.000 0.976 351 S CA -0.426 57.927 58.200 0.255 0.000 0.908 351 S CB -0.643 62.697 63.200 0.234 0.000 0.781 351 S HN 0.059 nan 8.310 nan 0.000 0.519 352 L N 2.526 123.879 121.223 0.216 0.000 2.584 352 L HA 0.320 4.660 4.340 -0.000 0.000 0.272 352 L C 1.188 178.198 176.870 0.233 0.000 1.195 352 L CA 1.141 56.111 54.840 0.218 0.000 0.920 352 L CB -0.574 41.603 42.059 0.197 0.000 1.173 352 L HN 0.351 nan 8.230 nan 0.000 0.489 353 G N 2.325 111.270 108.800 0.242 0.000 2.159 353 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.256 353 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.256 353 G C 0.483 175.509 174.900 0.210 0.000 0.977 353 G CA 0.336 45.580 45.100 0.240 0.000 0.652 353 G HN 0.805 nan 8.290 nan 0.000 0.531 354 S N -1.529 114.302 115.700 0.218 0.000 2.747 354 S HA 0.637 5.107 4.470 -0.000 0.000 0.300 354 S C 0.466 175.219 174.600 0.254 0.000 1.121 354 S CA 0.090 58.367 58.200 0.128 0.000 0.995 354 S CB 0.690 63.901 63.200 0.020 0.000 1.113 354 S HN 0.925 nan 8.310 nan 0.000 0.547 355 Y N -0.904 119.464 120.300 0.113 0.000 3.825 355 Y HA -0.210 4.340 4.550 -0.000 0.000 0.221 355 Y C 0.496 176.477 175.900 0.135 0.000 1.195 355 Y CA 0.201 58.367 58.100 0.110 0.000 1.699 355 Y CB -2.138 36.382 38.460 0.099 0.000 1.531 355 Y HN 0.576 nan 8.280 nan 0.000 0.640 356 I N -0.173 120.546 120.570 0.249 0.000 2.634 356 I HA 0.496 4.666 4.170 -0.000 0.000 0.284 356 I C 0.620 176.901 176.117 0.273 0.000 1.124 356 I CA 0.332 61.776 61.300 0.241 0.000 1.417 356 I CB 1.310 39.449 38.000 0.232 0.000 1.396 356 I HN 0.187 nan 8.210 nan 0.000 0.571 357 T N 1.937 116.613 114.554 0.203 0.000 2.876 357 T HA 0.671 5.020 4.350 -0.000 0.000 0.289 357 T C -0.654 174.069 174.700 0.038 0.000 1.014 357 T CA -0.704 61.505 62.100 0.182 0.000 0.986 357 T CB 2.039 70.964 68.868 0.094 0.000 1.021 357 T HN 0.806 nan 8.240 nan 0.000 0.458 358 E N 1.222 121.422 120.200 0.001 0.000 2.314 358 E HA 0.351 4.701 4.350 -0.000 0.000 0.272 358 E C -1.000 175.712 176.600 0.187 0.000 0.884 358 E CA -0.597 55.759 56.400 -0.072 0.000 0.753 358 E CB 1.914 31.352 29.700 -0.436 0.000 1.213 358 E HN 0.695 nan 8.360 nan 0.000 0.432 359 Q N 1.152 121.061 119.800 0.182 0.000 2.340 359 Q HA 0.403 4.743 4.340 -0.000 0.000 0.249 359 Q C -0.311 175.875 176.000 0.310 0.000 0.957 359 Q CA -0.349 55.608 55.803 0.257 0.000 0.882 359 Q CB 1.138 30.058 28.738 0.304 0.000 1.235 359 Q HN 0.441 nan 8.270 nan 0.000 0.439 360 S N 1.269 117.071 115.700 0.170 0.000 2.572 360 S HA 0.311 4.781 4.470 -0.000 0.000 0.279 360 S C -0.673 173.978 174.600 0.085 0.000 1.341 360 S CA -0.414 57.779 58.200 -0.011 0.000 1.043 360 S CB 0.310 63.425 63.200 -0.142 0.000 0.887 360 S HN 0.381 nan 8.310 nan 0.000 0.516 361 L N 4.621 125.868 121.223 0.041 0.000 2.438 361 L HA 0.694 5.034 4.340 -0.000 0.000 0.270 361 L C -0.883 175.877 176.870 -0.184 0.000 0.972 361 L CA -0.627 54.145 54.840 -0.114 0.000 0.831 361 L CB 1.646 43.614 42.059 -0.152 0.000 1.273 361 L HN 0.448 nan 8.230 nan 0.000 0.405 362 V N 1.971 121.698 119.914 -0.311 0.000 2.667 362 V HA 0.758 4.878 4.120 -0.000 0.000 0.308 362 V C -0.994 174.982 176.094 -0.196 0.000 1.048 362 V CA -0.652 61.388 62.300 -0.434 0.000 0.928 362 V CB 1.657 33.026 31.823 -0.756 0.000 1.004 362 V HN 0.804 nan 8.190 nan 0.000 0.444 363 F N 4.781 124.533 119.950 -0.330 0.000 2.591 363 F HA 0.864 5.391 4.527 -0.000 0.000 0.309 363 F C -0.393 175.283 175.800 -0.207 0.000 1.098 363 F CA -0.251 57.635 58.000 -0.190 0.000 0.937 363 F CB 1.517 40.444 39.000 -0.122 0.000 1.250 363 F HN 1.211 nan 8.300 nan 0.000 0.447 364 C N 2.983 121.671 119.300 -1.019 0.000 3.320 364 C HA 0.796 5.256 4.460 -0.000 0.000 0.335 364 C C -1.762 172.740 174.990 -0.814 0.000 1.430 364 C CA -0.674 57.750 59.018 -0.990 0.000 1.271 364 C CB 1.718 29.089 27.740 -0.615 0.000 1.609 364 C HN 0.953 nan 8.230 nan 0.000 0.457 365 Q N 0.743 120.282 119.800 -0.435 0.000 2.377 365 Q HA 0.737 5.077 4.340 -0.000 0.000 0.271 365 Q C -0.437 175.615 176.000 0.088 0.000 1.077 365 Q CA -0.218 55.542 55.803 -0.072 0.000 0.820 365 Q CB 2.697 31.381 28.738 -0.090 0.000 1.347 365 Q HN 0.934 nan 8.270 nan 0.000 0.444 366 T N -2.164 112.525 114.554 0.224 0.000 2.942 366 T HA 0.776 5.126 4.350 -0.000 0.000 0.289 366 T C -0.105 174.662 174.700 0.111 0.000 1.044 366 T CA -0.614 61.585 62.100 0.164 0.000 1.023 366 T CB 1.245 70.245 68.868 0.221 0.000 1.123 366 T HN 0.280 nan 8.240 nan 0.000 0.512 370 T N 1.796 116.350 114.554 0.001 0.000 2.737 370 T HA -0.142 4.208 4.350 -0.000 0.000 0.269 370 T C 1.500 176.209 174.700 0.015 0.000 1.040 370 T CA 2.176 64.281 62.100 0.008 0.000 1.142 370 T CB -0.562 68.307 68.868 0.002 0.000 0.861 370 T HN 0.741 nan 8.240 nan 0.000 0.456 371 E N 0.542 120.747 120.200 0.008 0.000 2.051 371 E HA -0.076 4.273 4.350 -0.000 0.000 0.192 371 E C 2.246 178.864 176.600 0.030 0.000 0.991 371 E CA 0.959 57.367 56.400 0.012 0.000 0.799 371 E CB -0.272 29.428 29.700 -0.001 0.000 0.748 371 E HN 0.437 nan 8.360 nan 0.000 0.449 372 L N 0.680 121.925 121.223 0.036 0.000 2.072 372 L HA -0.163 4.177 4.340 -0.000 0.000 0.205 372 L C 2.396 179.310 176.870 0.074 0.000 1.079 372 L CA 0.395 55.272 54.840 0.062 0.000 0.752 372 L CB -0.261 41.835 42.059 0.062 0.000 0.906 372 L HN 0.186 nan 8.230 nan 0.000 0.436 373 I N 0.060 120.662 120.570 0.052 0.000 2.179 373 I HA -0.283 3.887 4.170 -0.000 0.000 0.242 373 I C 2.152 178.306 176.117 0.062 0.000 1.088 373 I CA 1.513 62.842 61.300 0.049 0.000 1.357 373 I CB -1.147 36.873 38.000 0.033 0.000 1.051 373 I HN 0.274 nan 8.210 nan 0.000 0.409 374 D N 0.680 121.113 120.400 0.056 0.000 2.149 374 D HA -0.161 4.479 4.640 -0.000 0.000 0.198 374 D C 2.371 178.722 176.300 0.085 0.000 0.990 374 D CA 1.747 55.783 54.000 0.060 0.000 0.839 374 D CB -0.172 40.653 40.800 0.042 0.000 0.948 374 D HN 0.359 nan 8.370 nan 0.000 0.460 375 S N -0.054 115.706 115.700 0.099 0.000 2.442 375 S HA -0.112 4.358 4.470 -0.000 0.000 0.236 375 S C 2.124 176.882 174.600 0.262 0.000 1.007 375 S CA 0.791 59.080 58.200 0.148 0.000 0.965 375 S CB -0.377 62.898 63.200 0.126 0.000 0.773 375 S HN 0.082 nan 8.310 nan 0.000 0.504 376 V N 2.955 122.996 119.914 0.211 0.000 2.332 376 V HA -0.169 3.951 4.120 -0.000 0.000 0.248 376 V C 2.269 178.495 176.094 0.219 0.000 1.055 376 V CA 2.203 64.645 62.300 0.238 0.000 1.038 376 V CB -0.788 31.105 31.823 0.117 0.000 0.651 376 V HN 0.827 nan 8.190 nan 0.000 0.450 377 K N 0.523 121.014 120.400 0.152 0.000 2.493 377 K HA 0.161 4.481 4.320 -0.000 0.000 0.207 377 K C 1.636 178.301 176.600 0.109 0.000 1.033 377 K CA 0.694 57.054 56.287 0.122 0.000 1.161 377 K CB 0.150 32.705 32.500 0.092 0.000 0.873 377 K HN 0.428 nan 8.250 nan 0.000 0.491 378 S N 0.046 115.825 115.700 0.133 0.000 2.419 378 S HA -0.140 4.330 4.470 -0.000 0.000 0.235 378 S C 0.463 175.086 174.600 0.038 0.000 1.019 378 S CA 0.799 59.042 58.200 0.071 0.000 0.982 378 S CB -0.357 62.867 63.200 0.039 0.000 0.789 378 S HN 0.352 nan 8.310 nan 0.000 0.490 382 I N 3.287 123.846 120.570 -0.018 0.000 2.418 382 I HA 0.545 4.715 4.170 -0.000 0.000 0.287 382 I C 0.112 176.208 176.117 -0.034 0.000 1.008 382 I CA -0.684 60.584 61.300 -0.052 0.000 1.104 382 I CB 1.564 39.575 38.000 0.018 0.000 1.264 382 I HN 0.298 nan 8.210 nan 0.000 0.438 383 R N 3.973 124.421 120.500 -0.088 0.000 2.778 383 R HA 0.818 5.158 4.340 -0.000 0.000 0.277 383 R C 0.160 176.485 176.300 0.042 0.000 0.977 383 R CA -0.715 55.373 56.100 -0.021 0.000 0.950 383 R CB 1.983 32.264 30.300 -0.032 0.000 1.165 383 R HN 0.831 nan 8.270 nan 0.000 0.474 384 G N 0.800 109.663 108.800 0.104 0.000 2.693 384 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.226 384 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.226 384 G C -0.848 174.220 174.900 0.280 0.000 1.354 384 G CA -0.517 44.686 45.100 0.171 0.000 0.873 384 G HN 0.555 nan 8.290 nan 0.000 0.562 385 T N 2.325 117.011 114.554 0.220 0.000 2.797 385 T HA 0.630 4.980 4.350 -0.000 0.000 0.279 385 T C -2.559 172.000 174.700 -0.235 0.000 0.991 385 T CA -0.930 61.201 62.100 0.052 0.000 0.979 385 T CB 2.059 70.927 68.868 0.001 0.000 0.943 385 T HN 0.535 nan 8.240 nan 0.000 0.444 386 P HA 0.150 nan 4.420 nan 0.000 0.263 386 P C 1.166 178.197 177.300 -0.447 0.000 1.175 386 P CA 1.250 63.717 63.100 -1.055 0.000 0.761 386 P CB 0.142 31.466 31.700 -0.626 0.000 0.794 387 G N 1.566 110.161 108.800 -0.342 0.000 2.195 387 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.246 387 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.246 387 G C 0.026 174.888 174.900 -0.064 0.000 0.984 387 G CA -0.180 44.835 45.100 -0.140 0.000 0.633 387 G HN 0.551 nan 8.290 nan 0.000 0.525 388 E N -0.675 119.499 120.200 -0.043 0.000 2.227 388 E HA 0.642 4.992 4.350 -0.000 0.000 0.268 388 E C 1.256 177.900 176.600 0.074 0.000 0.990 388 E CA -0.865 55.549 56.400 0.022 0.000 0.856 388 E CB 1.255 30.974 29.700 0.032 0.000 1.159 388 E HN 0.074 nan 8.360 nan 0.000 0.401 389 L N 0.839 122.096 121.223 0.058 0.000 2.395 389 L HA -0.089 4.250 4.340 -0.000 0.000 0.218 389 L C 2.340 179.252 176.870 0.071 0.000 1.130 389 L CA 1.051 55.927 54.840 0.060 0.000 0.826 389 L CB -0.238 41.842 42.059 0.035 0.000 0.941 389 L HN 0.646 nan 8.230 nan 0.000 0.451 390 T N -2.421 112.181 114.554 0.079 0.000 3.148 390 T HA -0.145 4.205 4.350 -0.000 0.000 0.253 390 T C 0.537 175.302 174.700 0.108 0.000 1.134 390 T CA -0.236 61.907 62.100 0.072 0.000 1.051 390 T CB -0.284 68.617 68.868 0.055 0.000 0.959 390 T HN 0.158 nan 8.240 nan 0.000 0.525 391 Y N 2.244 122.546 120.300 0.002 0.000 2.377 391 Y HA 0.488 5.038 4.550 -0.000 0.000 0.330 391 Y C -0.035 175.868 175.900 0.005 0.000 1.108 391 Y CA -0.703 57.399 58.100 0.004 0.000 1.308 391 Y CB 0.712 39.173 38.460 0.002 0.000 1.216 391 Y HN 0.157 nan 8.280 nan 0.000 0.518 392 S N 5.417 120.770 115.700 -0.579 0.000 2.614 392 S HA 0.660 5.129 4.470 -0.000 0.000 0.275 392 S C -2.116 172.193 174.600 -0.485 0.000 1.161 392 S CA -0.712 57.236 58.200 -0.420 0.000 0.969 392 S CB 0.652 63.748 63.200 -0.175 0.000 1.059 392 S HN 0.513 nan 8.310 nan 0.000 0.482 393 V N 4.845 124.545 119.914 -0.357 0.000 2.409 393 V HA 0.741 4.861 4.120 -0.000 0.000 0.291 393 V C 0.201 176.265 176.094 -0.050 0.000 1.020 393 V CA -0.409 61.773 62.300 -0.197 0.000 0.848 393 V CB 1.230 32.965 31.823 -0.148 0.000 0.990 393 V HN 1.018 nan 8.190 nan 0.000 0.430 394 T N 1.839 116.394 114.554 0.001 0.000 2.883 394 T HA 0.876 5.226 4.350 -0.000 0.000 0.296 394 T C -0.936 173.859 174.700 0.158 0.000 1.117 394 T CA -0.786 61.347 62.100 0.056 0.000 1.006 394 T CB 2.295 71.145 68.868 -0.031 0.000 1.191 394 T HN 0.780 nan 8.240 nan 0.000 0.508 395 Y N -1.912 118.379 120.300 -0.014 0.000 2.655 395 Y HA 0.766 5.316 4.550 -0.000 0.000 0.336 395 Y C -0.999 174.894 175.900 -0.012 0.000 1.154 395 Y CA -1.276 56.819 58.100 -0.009 0.000 1.055 395 Y CB 1.084 39.546 38.460 0.004 0.000 1.295 395 Y HN 0.608 nan 8.280 nan 0.000 0.465 396 T N 3.914 118.444 114.554 -0.040 0.000 2.801 396 T HA 0.385 4.735 4.350 -0.000 0.000 0.306 396 T C -2.805 171.858 174.700 -0.063 0.000 1.020 396 T CA -1.382 60.638 62.100 -0.133 0.000 0.948 396 T CB 0.671 69.514 68.868 -0.043 0.000 0.962 396 T HN 0.333 nan 8.240 nan 0.000 0.465 397 P HA 0.243 nan 4.420 nan 0.000 0.265 397 P C 1.140 178.455 177.300 0.025 0.000 1.193 397 P CA 0.719 63.825 63.100 0.011 0.000 0.765 397 P CB 0.426 32.089 31.700 -0.062 0.000 0.823 398 G N 1.737 110.573 108.800 0.059 0.000 2.205 398 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.261 398 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.261 398 G C 0.461 175.367 174.900 0.011 0.000 0.980 398 G CA 0.032 45.149 45.100 0.028 0.000 0.632 398 G HN 0.864 nan 8.290 nan 0.000 0.533 399 A N 0.794 123.621 122.820 0.012 0.000 2.520 399 A HA 0.617 4.937 4.320 -0.000 0.000 0.245 399 A C 1.726 179.298 177.584 -0.020 0.000 1.072 399 A CA 1.305 53.339 52.037 -0.005 0.000 0.761 399 A CB 0.287 19.287 19.000 -0.000 0.000 1.004 399 A HN 1.702 nan 8.150 nan 0.000 0.499 400 S N 1.513 117.199 115.700 -0.024 0.000 2.474 400 S HA -0.142 4.328 4.470 -0.000 0.000 0.235 400 S C 1.403 175.973 174.600 -0.051 0.000 0.997 400 S CA 1.466 59.645 58.200 -0.034 0.000 0.949 400 S CB -0.701 62.483 63.200 -0.027 0.000 0.766 400 S HN 1.183 nan 8.310 nan 0.000 0.517 401 T N -0.993 113.531 114.554 -0.050 0.000 3.081 401 T HA 0.198 4.548 4.350 -0.000 0.000 0.250 401 T C 0.384 175.029 174.700 -0.092 0.000 1.100 401 T CA -0.494 61.567 62.100 -0.064 0.000 1.038 401 T CB -0.564 68.275 68.868 -0.048 0.000 0.962 401 T HN 0.174 nan 8.240 nan 0.000 0.516 402 N N 2.607 121.253 118.700 -0.091 0.000 2.458 402 N HA 0.136 4.875 4.740 -0.000 0.000 0.258 402 N C 0.988 176.349 175.510 -0.250 0.000 1.219 402 N CA -0.117 52.850 53.050 -0.138 0.000 0.902 402 N CB 0.946 39.379 38.487 -0.090 0.000 1.076 402 N HN 0.279 nan 8.380 nan 0.000 0.455 403 K N 1.204 121.355 120.400 -0.415 0.000 2.361 403 K HA 0.034 4.354 4.320 -0.000 0.000 0.196 403 K C -0.059 175.998 176.600 -0.906 0.000 1.039 403 K CA 0.715 56.611 56.287 -0.652 0.000 1.001 403 K CB 0.166 32.174 32.500 -0.820 0.000 0.795 403 K HN 0.557 nan 8.250 nan 0.000 0.495 404 H N 0.623 119.383 119.070 -0.517 0.000 2.622 404 H HA 0.300 4.856 4.556 -0.000 0.000 0.363 404 H C -2.351 172.653 175.328 -0.540 0.000 1.151 404 H CA -2.557 53.010 56.048 -0.802 0.000 1.184 404 H CB 1.469 30.357 29.762 -1.456 0.000 1.643 404 H HN -0.116 nan 8.280 nan 0.000 0.531 405 P HA -0.029 nan 4.420 nan 0.000 0.270 405 P C 0.284 177.369 177.300 -0.359 0.000 1.223 405 P CA -0.204 62.694 63.100 -0.336 0.000 0.785 405 P CB 1.352 32.819 31.700 -0.387 0.000 0.923 406 D N 0.718 121.047 120.400 -0.118 0.000 2.158 406 D HA -0.166 4.474 4.640 -0.000 0.000 0.197 406 D C 1.909 178.217 176.300 0.014 0.000 0.995 406 D CA 1.449 55.467 54.000 0.031 0.000 0.846 406 D CB -0.483 40.427 40.800 0.183 0.000 0.941 406 D HN 0.634 nan 8.370 nan 0.000 0.456 407 W N -0.016 121.364 121.300 0.134 0.000 2.402 407 W HA -0.084 4.576 4.660 -0.000 0.000 0.286 407 W C 1.963 178.556 176.519 0.123 0.000 1.221 407 W CA -0.058 57.356 57.345 0.114 0.000 1.257 407 W CB -1.306 28.213 29.460 0.099 0.000 1.120 407 W HN 0.037 nan 8.180 nan 0.000 0.551 408 W N 3.734 124.559 121.300 -0.792 0.000 2.380 408 W HA -0.174 4.486 4.660 -0.000 0.000 0.317 408 W C 1.917 178.182 176.519 -0.424 0.000 1.196 408 W CA 1.736 58.635 57.345 -0.744 0.000 1.307 408 W CB -1.092 27.670 29.460 -1.164 0.000 1.157 408 W HN -0.136 nan 8.180 nan 0.000 0.483 409 N N 1.022 119.670 118.700 -0.087 0.000 2.061 409 N HA -0.243 4.496 4.740 -0.000 0.000 0.193 409 N C 1.503 176.718 175.510 -0.492 0.000 1.030 409 N CA 2.229 55.006 53.050 -0.455 0.000 0.856 409 N CB -0.927 36.887 38.487 -1.122 0.000 1.023 409 N HN 0.189 nan 8.380 nan 0.000 0.424 410 E N 1.356 121.401 120.200 -0.258 0.000 2.070 410 E HA -0.138 4.212 4.350 -0.000 0.000 0.197 410 E C 1.686 178.315 176.600 0.048 0.000 1.004 410 E CA 1.488 57.917 56.400 0.049 0.000 0.805 410 E CB -0.061 29.744 29.700 0.174 0.000 0.744 410 E HN 0.319 nan 8.360 nan 0.000 0.451 411 K N -0.701 119.720 120.400 0.036 0.000 2.057 411 K HA -0.080 4.240 4.320 -0.000 0.000 0.207 411 K C 2.118 178.715 176.600 -0.004 0.000 1.049 411 K CA 1.288 57.592 56.287 0.028 0.000 0.931 411 K CB -0.079 32.429 32.500 0.013 0.000 0.714 411 K HN 0.026 nan 8.250 nan 0.000 0.440 412 V N 1.812 121.692 119.914 -0.057 0.000 2.307 412 V HA -0.255 3.865 4.120 -0.000 0.000 0.245 412 V C 2.349 178.472 176.094 0.049 0.000 1.045 412 V CA 1.645 63.931 62.300 -0.025 0.000 1.024 412 V CB -0.410 31.392 31.823 -0.035 0.000 0.651 412 V HN 0.334 nan 8.190 nan 0.000 0.449 413 K N 0.496 120.914 120.400 0.030 0.000 2.032 413 K HA -0.256 4.064 4.320 -0.000 0.000 0.209 413 K C 1.928 178.576 176.600 0.079 0.000 1.048 413 K CA 2.376 58.710 56.287 0.077 0.000 0.927 413 K CB -0.337 32.260 32.500 0.162 0.000 0.712 413 K HN 0.609 nan 8.250 nan 0.000 0.441 414 N N -0.570 118.182 118.700 0.087 0.000 2.120 414 N HA -0.172 4.568 4.740 -0.000 0.000 0.188 414 N C 1.021 176.577 175.510 0.077 0.000 1.024 414 N CA 0.599 53.696 53.050 0.078 0.000 0.852 414 N CB -0.229 38.311 38.487 0.088 0.000 1.003 414 N HN 0.284 nan 8.380 nan 0.000 0.424 419 H N 1.220 120.194 119.070 -0.160 0.000 2.448 419 H HA 0.274 4.830 4.556 -0.000 0.000 0.237 419 H C -0.051 175.191 175.328 -0.143 0.000 1.391 419 H CA -0.064 55.904 56.048 -0.133 0.000 1.477 419 H CB 0.766 30.408 29.762 -0.200 0.000 1.520 419 H HN 0.210 nan 8.280 nan 0.000 0.502 420 Q N 0.742 120.532 119.800 -0.017 0.000 2.378 420 Q HA -0.089 4.251 4.340 -0.000 0.000 0.205 420 Q C 1.707 177.662 176.000 -0.075 0.000 0.954 420 Q CA 0.655 56.413 55.803 -0.075 0.000 0.901 420 Q CB 0.473 29.131 28.738 -0.135 0.000 0.981 420 Q HN 0.525 nan 8.270 nan 0.000 0.483 421 E N 1.035 121.235 120.200 0.002 0.000 2.482 421 E HA -0.092 4.258 4.350 -0.000 0.000 0.196 421 E C -0.456 176.182 176.600 0.062 0.000 1.047 421 E CA 0.439 56.853 56.400 0.023 0.000 0.869 421 E CB -0.001 29.729 29.700 0.050 0.000 0.836 421 E HN 0.157 nan 8.360 nan 0.000 0.520 422 D N 1.893 122.343 120.400 0.084 0.000 2.232 422 D HA 0.151 4.791 4.640 -0.000 0.000 0.242 422 D C -1.622 174.731 176.300 0.088 0.000 1.093 422 D CA -2.115 51.962 54.000 0.129 0.000 0.845 422 D CB 1.632 42.550 40.800 0.197 0.000 1.124 422 D HN -0.183 nan 8.370 nan 0.000 0.467 423 P HA 0.132 nan 4.420 nan 0.000 0.255 423 P C -0.344 177.003 177.300 0.080 0.000 1.248 423 P CA 0.100 63.241 63.100 0.069 0.000 0.807 423 P CB 0.329 32.061 31.700 0.054 0.000 1.150 424 L N 1.466 122.751 121.223 0.103 0.000 2.331 424 L HA 0.393 4.732 4.340 -0.000 0.000 0.275 424 L C -1.480 175.442 176.870 0.087 0.000 1.022 424 L CA -2.272 52.611 54.840 0.071 0.000 0.812 424 L CB 2.163 44.242 42.059 0.034 0.000 1.257 424 L HN -0.321 nan 8.230 nan 0.000 0.435 425 P HA 0.112 nan 4.420 nan 0.000 0.249 425 P C 0.188 177.401 177.300 -0.146 0.000 1.229 425 P CA 0.540 63.661 63.100 0.036 0.000 0.788 425 P CB 0.330 32.051 31.700 0.035 0.000 1.072 426 I N 1.973 122.372 120.570 -0.285 0.000 2.371 426 I HA 0.224 4.394 4.170 -0.000 0.000 0.290 426 I C -2.151 173.496 176.117 -0.784 0.000 1.028 426 I CA -2.770 58.285 61.300 -0.409 0.000 1.345 426 I CB 0.861 38.703 38.000 -0.262 0.000 1.407 426 I HN -0.251 nan 8.210 nan 0.000 0.501 427 P HA 0.010 nan 4.420 nan 0.000 0.267 427 P C 0.316 177.327 177.300 -0.481 0.000 1.200 427 P CA -0.034 62.624 63.100 -0.737 0.000 0.772 427 P CB 0.340 31.880 31.700 -0.267 0.000 0.855 428 F N 0.717 120.526 119.950 -0.234 0.000 2.161 428 F HA -0.146 4.381 4.527 -0.000 0.000 0.300 428 F C 1.816 177.578 175.800 -0.064 0.000 1.089 428 F CA 1.589 59.518 58.000 -0.119 0.000 1.282 428 F CB -0.947 37.999 39.000 -0.089 0.000 1.010 428 F HN 0.409 nan 8.300 nan 0.000 0.485 429 E N -0.189 120.090 120.200 0.132 0.000 2.444 429 E HA -0.016 4.334 4.350 -0.000 0.000 0.191 429 E C -0.219 176.403 176.600 0.037 0.000 1.041 429 E CA -0.172 56.282 56.400 0.089 0.000 0.883 429 E CB -0.257 29.499 29.700 0.093 0.000 1.024 429 E HN 0.245 nan 8.360 nan 0.000 0.470 430 D N 2.567 122.966 120.400 -0.001 0.000 2.434 430 D HA 0.017 4.657 4.640 -0.000 0.000 0.252 430 D C -2.319 173.999 176.300 0.032 0.000 1.185 430 D CA -1.445 52.542 54.000 -0.021 0.000 0.886 430 D CB 0.797 41.544 40.800 -0.089 0.000 1.148 430 D HN -0.140 nan 8.370 nan 0.000 0.483 431 P HA 0.037 nan 4.420 nan 0.000 0.269 431 P C -0.494 176.923 177.300 0.194 0.000 1.217 431 P CA -0.249 62.945 63.100 0.156 0.000 0.783 431 P CB 0.352 32.151 31.700 0.165 0.000 0.898 432 E N 2.449 122.785 120.200 0.227 0.000 2.404 432 E HA 0.120 4.470 4.350 -0.000 0.000 0.261 432 E C -2.295 174.341 176.600 0.060 0.000 1.074 432 E CA -1.987 54.476 56.400 0.105 0.000 0.917 432 E CB -1.095 28.638 29.700 0.054 0.000 0.965 432 E HN 0.300 nan 8.360 nan 0.000 0.433 433 P HA -0.004 nan 4.420 nan 0.000 0.269 433 P C -0.319 176.997 177.300 0.026 0.000 1.209 433 P CA 0.195 63.364 63.100 0.116 0.000 0.776 433 P CB 0.421 32.136 31.700 0.025 0.000 0.876 434 Q N 1.198 121.109 119.800 0.185 0.000 3.180 434 Q HA 0.286 4.626 4.340 -0.000 0.000 0.317 434 Q C -0.893 175.195 176.000 0.146 0.000 0.824 434 Q CA -0.338 55.441 55.803 -0.040 0.000 0.926 434 Q CB 1.082 29.526 28.738 -0.489 0.000 1.487 434 Q HN 0.195 nan 8.270 nan 0.000 0.389 435 V N 0.508 120.476 119.914 0.090 0.000 2.630 435 V HA 0.743 4.863 4.120 -0.000 0.000 0.305 435 V C 0.219 176.330 176.094 0.029 0.000 1.046 435 V CA -0.414 61.933 62.300 0.078 0.000 0.934 435 V CB 2.011 33.819 31.823 -0.026 0.000 1.003 435 V HN 0.398 nan 8.190 nan 0.000 0.451 436 T N 1.793 116.394 114.554 0.077 0.000 2.956 436 T HA 0.465 4.815 4.350 -0.000 0.000 0.312 436 T C -0.908 173.776 174.700 -0.028 0.000 1.151 436 T CA -0.305 61.791 62.100 -0.008 0.000 1.024 436 T CB 1.800 70.637 68.868 -0.051 0.000 1.140 436 T HN 0.861 nan 8.240 nan 0.000 0.473 437 T N 4.734 119.166 114.554 -0.205 0.000 2.779 437 T HA 0.659 5.009 4.350 -0.000 0.000 0.280 437 T C -0.126 174.463 174.700 -0.185 0.000 0.987 437 T CA -0.596 61.241 62.100 -0.438 0.000 0.966 437 T CB 0.078 68.280 68.868 -1.110 0.000 0.933 437 T HN 0.516 nan 8.240 nan 0.000 0.442 438 L N 4.226 125.395 121.223 -0.091 0.000 2.439 438 L HA 0.457 4.797 4.340 -0.000 0.000 0.261 438 L C 0.655 177.512 176.870 -0.022 0.000 1.153 438 L CA -1.049 53.805 54.840 0.023 0.000 0.808 438 L CB 0.355 42.434 42.059 0.034 0.000 1.126 438 L HN 0.671 nan 8.230 nan 0.000 0.460 439 F N 2.380 122.247 119.950 -0.139 0.000 2.579 439 F HA -0.121 4.406 4.527 -0.000 0.000 0.397 439 F C 0.228 175.760 175.800 -0.448 0.000 1.027 439 F CA 0.602 58.424 58.000 -0.297 0.000 1.217 439 F CB 0.153 39.035 39.000 -0.196 0.000 0.986 439 F HN 0.392 nan 8.300 nan 0.000 0.551 440 Q N 6.952 126.144 119.800 -1.014 0.000 2.421 440 Q HA 0.242 4.581 4.340 -0.000 0.000 0.280 440 Q C -1.937 173.539 176.000 -0.874 0.000 1.085 440 Q CA -1.869 53.463 55.803 -0.784 0.000 0.807 440 Q CB 1.568 29.776 28.738 -0.882 0.000 1.405 440 Q HN 0.280 nan 8.270 nan 0.000 0.419 441 P HA -0.218 nan 4.420 nan 0.000 0.217 441 P C 1.235 178.308 177.300 -0.379 0.000 1.148 441 P CA 2.049 64.950 63.100 -0.330 0.000 0.834 441 P CB 0.306 31.919 31.700 -0.146 0.000 0.783 442 S N -1.394 114.090 115.700 -0.358 0.000 2.496 442 S HA -0.100 4.370 4.470 -0.000 0.000 0.224 442 S C 0.663 175.072 174.600 -0.319 0.000 0.996 442 S CA 0.103 58.163 58.200 -0.234 0.000 0.927 442 S CB -1.175 61.979 63.200 -0.077 0.000 0.774 442 S HN 0.415 nan 8.310 nan 0.000 0.524 443 H N -0.694 117.951 119.070 -0.709 0.000 2.488 443 H HA 0.525 5.081 4.556 -0.000 0.000 0.237 443 H C -3.140 171.060 175.328 -1.880 0.000 1.395 443 H CA -2.023 53.259 56.048 -1.276 0.000 1.491 443 H CB 0.662 29.930 29.762 -0.824 0.000 1.567 443 H HN 0.092 nan 8.280 nan 0.000 0.508 444 P HA 0.080 nan 4.420 nan 0.000 0.226 444 P C -1.298 175.508 177.300 -0.822 0.000 1.783 444 P CA 0.166 62.218 63.100 -1.747 0.000 0.980 444 P CB -1.038 30.144 31.700 -0.864 0.000 1.967 445 W N -0.173 120.918 121.300 -0.348 0.000 3.118 445 W HA 0.525 5.185 4.660 -0.000 0.000 0.328 445 W C -0.963 175.648 176.519 0.153 0.000 1.239 445 W CA -1.295 56.104 57.345 0.090 0.000 1.176 445 W CB 0.082 29.601 29.460 0.099 0.000 1.433 445 W HN 0.013 nan 8.180 nan 0.000 0.562 446 H N 1.051 120.382 119.070 0.434 0.000 2.511 446 H HA 0.697 5.253 4.556 -0.000 0.000 0.346 446 H C -0.196 175.291 175.328 0.265 0.000 1.128 446 H CA 0.377 56.581 56.048 0.261 0.000 1.342 446 H CB 1.442 31.290 29.762 0.143 0.000 1.470 446 H HN 0.569 nan 8.280 nan 0.000 0.546 447 T N 2.333 116.589 114.554 -0.497 0.000 2.893 447 T HA 0.481 4.831 4.350 -0.000 0.000 0.293 447 T C -0.727 173.706 174.700 -0.444 0.000 1.027 447 T CA -1.129 60.683 62.100 -0.480 0.000 0.988 447 T CB 1.658 70.134 68.868 -0.653 0.000 1.043 447 T HN 0.673 nan 8.240 nan 0.000 0.461 448 Q N 1.814 121.553 119.800 -0.102 0.000 2.292 448 Q HA 0.542 4.882 4.340 -0.000 0.000 0.270 448 Q C -1.335 174.601 176.000 -0.107 0.000 1.024 448 Q CA -0.629 55.044 55.803 -0.215 0.000 0.768 448 Q CB 2.398 30.942 28.738 -0.325 0.000 1.250 448 Q HN 0.703 nan 8.270 nan 0.000 0.447 449 I N 3.748 124.219 120.570 -0.165 0.000 2.437 449 I HA 0.374 4.544 4.170 -0.000 0.000 0.279 449 I C -0.337 175.719 176.117 -0.102 0.000 1.028 449 I CA -0.187 60.934 61.300 -0.298 0.000 1.142 449 I CB 0.524 38.197 38.000 -0.545 0.000 1.266 449 I HN 0.712 nan 8.210 nan 0.000 0.461 450 H N 3.620 122.542 119.070 -0.247 0.000 2.888 450 H HA 0.649 5.205 4.556 -0.000 0.000 0.267 450 H C -1.207 174.064 175.328 -0.094 0.000 1.482 450 H CA -1.384 54.579 56.048 -0.143 0.000 1.165 450 H CB 1.324 31.026 29.762 -0.100 0.000 1.866 450 H HN 0.116 nan 8.280 nan 0.000 0.599 451 R N 1.356 121.687 120.500 -0.282 0.000 2.451 451 R HA 0.277 4.617 4.340 -0.000 0.000 0.307 451 R C -1.410 174.704 176.300 -0.309 0.000 0.965 451 R CA -0.625 55.306 56.100 -0.280 0.000 0.865 451 R CB 1.617 31.873 30.300 -0.073 0.000 1.174 451 R HN 0.711 nan 8.270 nan 0.000 0.455 452 D N 1.075 121.264 120.400 -0.352 0.000 2.217 452 D HA 0.368 5.008 4.640 -0.000 0.000 0.248 452 D C 0.688 177.044 176.300 0.094 0.000 1.008 452 D CA -0.180 53.719 54.000 -0.168 0.000 0.914 452 D CB 2.166 42.894 40.800 -0.119 0.000 1.182 452 D HN 0.458 nan 8.370 nan 0.000 0.451 453 A N 3.710 126.618 122.820 0.147 0.000 1.841 453 A HA -0.095 4.225 4.320 -0.000 0.000 0.214 453 A C 1.174 178.983 177.584 0.374 0.000 1.195 453 A CA 0.624 52.839 52.037 0.295 0.000 0.611 453 A CB -0.721 18.470 19.000 0.318 0.000 0.835 453 A HN 0.662 nan 8.150 nan 0.000 0.443 454 F N 0.554 120.572 119.950 0.113 0.000 2.669 454 F HA 0.092 4.619 4.527 -0.000 0.000 0.344 454 F C 1.450 177.241 175.800 -0.015 0.000 1.161 454 F CA 1.450 59.465 58.000 0.024 0.000 1.377 454 F CB 0.269 39.250 39.000 -0.032 0.000 1.047 454 F HN 0.307 nan 8.300 nan 0.000 0.627 455 S N 2.365 117.757 115.700 -0.513 0.000 3.527 455 S HA -0.264 4.206 4.470 -0.000 0.000 0.409 455 S C -1.070 173.364 174.600 -0.277 0.000 0.900 455 S CA 0.300 58.255 58.200 -0.408 0.000 1.320 455 S CB -1.479 61.481 63.200 -0.400 0.000 0.915 455 S HN 0.569 nan 8.310 nan 0.000 0.575 456 Y N -0.080 120.120 120.300 -0.166 0.000 2.376 456 Y HA 0.597 5.147 4.550 -0.000 0.000 0.340 456 Y C 0.765 176.608 175.900 -0.095 0.000 0.965 456 Y CA 0.156 58.209 58.100 -0.078 0.000 1.078 456 Y CB 2.407 40.845 38.460 -0.036 0.000 1.193 456 Y HN 0.580 nan 8.280 nan 0.000 0.452 457 G N 1.947 110.791 108.800 0.074 0.000 2.864 457 G HA2 0.491 4.451 3.960 -0.000 0.000 0.223 457 G HA3 0.491 4.451 3.960 -0.000 0.000 0.223 457 G C -1.806 173.103 174.900 0.015 0.000 3.561 457 G CA -0.176 44.942 45.100 0.030 0.000 0.548 457 G HN 0.804 nan 8.290 nan 0.000 0.377 458 A N 1.031 123.873 122.820 0.036 0.000 2.414 458 A HA 0.868 5.188 4.320 -0.000 0.000 0.306 458 A C 0.835 178.432 177.584 0.022 0.000 1.054 458 A CA -0.138 51.914 52.037 0.025 0.000 0.724 458 A CB 1.986 21.005 19.000 0.031 0.000 1.267 458 A HN 1.882 nan 8.150 nan 0.000 0.418 459 V N -0.406 119.516 119.914 0.014 0.000 3.331 459 V HA 0.354 4.474 4.120 -0.000 0.000 0.332 459 V C 0.171 176.273 176.094 0.014 0.000 1.341 459 V CA 0.648 62.955 62.300 0.013 0.000 1.218 459 V CB -0.732 31.096 31.823 0.008 0.000 1.152 459 V HN 0.753 nan 8.190 nan 0.000 0.445 460 Q N 0.768 120.579 119.800 0.018 0.000 2.038 460 Q HA 0.242 4.582 4.340 -0.000 0.000 0.240 460 Q C 1.117 177.133 176.000 0.026 0.000 0.831 460 Q CA 0.241 56.055 55.803 0.018 0.000 1.068 460 Q CB 0.961 29.706 28.738 0.011 0.000 1.241 460 Q HN 0.872 nan 8.270 nan 0.000 0.435 461 Q N -1.255 118.567 119.800 0.037 0.000 2.329 461 Q HA 0.178 4.518 4.340 -0.000 0.000 0.208 461 Q C 1.220 177.245 176.000 0.041 0.000 0.934 461 Q CA 0.535 56.369 55.803 0.052 0.000 0.951 461 Q CB 0.311 29.091 28.738 0.071 0.000 1.017 461 Q HN 0.075 nan 8.270 nan 0.000 0.490 462 S N 0.227 115.945 115.700 0.031 0.000 2.423 462 S HA 0.002 4.472 4.470 -0.000 0.000 0.231 462 S C 0.646 175.264 174.600 0.030 0.000 1.014 462 S CA 0.207 58.423 58.200 0.027 0.000 0.965 462 S CB 0.038 63.251 63.200 0.021 0.000 0.785 462 S HN 0.445 nan 8.310 nan 0.000 0.495 463 I N 2.468 123.057 120.570 0.032 0.000 2.342 463 I HA 0.170 4.340 4.170 -0.000 0.000 0.291 463 I C 0.252 176.395 176.117 0.044 0.000 1.010 463 I CA -0.399 60.921 61.300 0.034 0.000 1.308 463 I CB 0.970 38.986 38.000 0.028 0.000 1.400 463 I HN 0.108 nan 8.210 nan 0.000 0.488 464 D N 4.156 124.586 120.400 0.048 0.000 2.586 464 D HA -0.129 4.511 4.640 -0.000 0.000 0.234 464 D C 1.237 177.574 176.300 0.061 0.000 1.132 464 D CA 0.511 54.548 54.000 0.061 0.000 0.860 464 D CB 0.958 41.800 40.800 0.070 0.000 1.159 464 D HN 0.619 nan 8.370 nan 0.000 0.490 465 S N 3.922 119.667 115.700 0.075 0.000 2.387 465 S HA -0.206 4.264 4.470 -0.000 0.000 0.230 465 S C 1.774 176.414 174.600 0.066 0.000 1.035 465 S CA 1.201 59.451 58.200 0.084 0.000 1.014 465 S CB 0.096 63.364 63.200 0.114 0.000 0.836 465 S HN 0.525 nan 8.310 nan 0.000 0.466 466 R N 0.180 120.716 120.500 0.061 0.000 2.193 466 R HA 0.083 4.423 4.340 -0.000 0.000 0.229 466 R C 1.955 178.268 176.300 0.022 0.000 1.110 466 R CA 1.067 57.187 56.100 0.033 0.000 0.988 466 R CB -0.286 30.021 30.300 0.012 0.000 0.871 466 R HN 0.434 nan 8.270 nan 0.000 0.458 467 L N 0.351 121.593 121.223 0.032 0.000 2.418 467 L HA 0.113 4.453 4.340 -0.000 0.000 0.218 467 L C 0.645 177.536 176.870 0.036 0.000 1.125 467 L CA 0.250 55.108 54.840 0.030 0.000 0.835 467 L CB 0.088 42.166 42.059 0.032 0.000 0.953 467 L HN 0.062 nan 8.230 nan 0.000 0.454 468 I N -0.022 120.568 120.570 0.033 0.000 2.385 468 I HA 0.264 4.434 4.170 -0.000 0.000 0.294 468 I C -0.588 175.539 176.117 0.018 0.000 0.988 468 I CA -0.457 60.861 61.300 0.030 0.000 1.265 468 I CB 1.855 39.861 38.000 0.010 0.000 1.388 468 I HN -0.315 nan 8.210 nan 0.000 0.480 469 V N 4.625 124.564 119.914 0.042 0.000 2.656 469 V HA 0.343 4.463 4.120 -0.000 0.000 0.307 469 V C -0.811 175.270 176.094 -0.023 0.000 1.051 469 V CA -0.854 61.429 62.300 -0.028 0.000 0.893 469 V CB 2.087 33.878 31.823 -0.053 0.000 0.999 469 V HN 0.582 nan 8.190 nan 0.000 0.426 470 D N 2.504 122.839 120.400 -0.109 0.000 2.210 470 D HA 0.472 5.112 4.640 -0.000 0.000 0.249 470 D C -1.020 175.241 176.300 -0.066 0.000 1.062 470 D CA 0.081 54.085 54.000 0.007 0.000 0.891 470 D CB 1.407 42.255 40.800 0.079 0.000 1.186 470 D HN 0.460 nan 8.370 nan 0.000 0.432 471 W N 1.269 122.594 121.300 0.041 0.000 2.619 471 W HA 0.427 5.087 4.660 -0.000 0.000 0.327 471 W C 0.211 176.813 176.519 0.139 0.000 1.027 471 W CA -0.855 56.554 57.345 0.107 0.000 1.233 471 W CB 1.320 30.725 29.460 -0.092 0.000 1.370 471 W HN -0.080 nan 8.180 nan 0.000 0.453 472 R N 2.850 123.635 120.500 0.476 0.000 2.451 472 R HA 0.536 4.876 4.340 -0.000 0.000 0.307 472 R C -1.505 175.038 176.300 0.405 0.000 0.965 472 R CA -0.848 55.412 56.100 0.267 0.000 0.865 472 R CB 1.494 31.892 30.300 0.164 0.000 1.174 472 R HN 0.182 nan 8.270 nan 0.000 0.455 473 F N 3.246 123.078 119.950 -0.196 0.000 2.482 473 F HA 0.497 5.024 4.527 -0.000 0.000 0.331 473 F C -0.392 175.326 175.800 -0.137 0.000 1.115 473 F CA -1.419 56.548 58.000 -0.054 0.000 0.955 473 F CB 1.127 40.042 39.000 -0.142 0.000 1.136 473 F HN 0.303 nan 8.300 nan 0.000 0.452 474 F N 1.317 121.462 119.950 0.325 0.000 2.477 474 F HA 0.675 5.202 4.527 -0.000 0.000 0.335 474 F C 0.589 176.592 175.800 0.338 0.000 1.130 474 F CA -1.063 57.124 58.000 0.313 0.000 0.948 474 F CB 1.613 40.848 39.000 0.392 0.000 1.154 474 F HN 0.518 nan 8.300 nan 0.000 0.439 475 G N 2.082 111.129 108.800 0.411 0.000 2.491 475 G HA2 0.693 4.653 3.960 -0.000 0.000 0.327 475 G HA3 0.693 4.653 3.960 -0.000 0.000 0.327 475 G C -1.055 174.021 174.900 0.294 0.000 1.189 475 G CA -1.088 44.236 45.100 0.373 0.000 0.956 475 G HN 0.697 nan 8.290 nan 0.000 0.491 476 R N -1.009 119.657 120.500 0.277 0.000 2.540 476 R HA 0.697 5.037 4.340 -0.000 0.000 0.287 476 R C -1.112 175.277 176.300 0.147 0.000 0.980 476 R CA -0.587 55.603 56.100 0.150 0.000 0.966 476 R CB 1.484 31.881 30.300 0.161 0.000 1.106 476 R HN 0.275 nan 8.270 nan 0.000 0.480 477 T N 2.737 117.350 114.554 0.098 0.000 2.786 477 T HA 0.112 4.462 4.350 -0.000 0.000 0.283 477 T C -0.683 174.097 174.700 0.135 0.000 0.992 477 T CA -0.840 61.368 62.100 0.181 0.000 0.954 477 T CB 1.120 70.158 68.868 0.284 0.000 0.934 477 T HN 0.687 nan 8.240 nan 0.000 0.440 478 E N 4.139 124.422 120.200 0.139 0.000 2.415 478 E HA 0.113 4.463 4.350 -0.000 0.000 0.263 478 E C -2.511 174.172 176.600 0.139 0.000 0.995 478 E CA -1.727 54.747 56.400 0.123 0.000 0.915 478 E CB 0.090 29.855 29.700 0.107 0.000 0.951 478 E HN 0.204 nan 8.360 nan 0.000 0.449 479 P HA 0.106 nan 4.420 nan 0.000 0.276 479 P C -0.810 176.649 177.300 0.264 0.000 1.264 479 P CA 0.033 63.276 63.100 0.239 0.000 0.769 479 P CB 0.529 32.391 31.700 0.270 0.000 0.840 480 K N 2.815 123.300 120.400 0.142 0.000 2.324 480 K HA 0.195 4.515 4.320 -0.000 0.000 0.253 480 K C 1.063 177.490 176.600 -0.289 0.000 0.932 480 K CA -0.778 55.511 56.287 0.005 0.000 0.799 480 K CB 2.168 34.639 32.500 -0.047 0.000 1.154 480 K HN 0.426 nan 8.250 nan 0.000 0.425 481 E N 1.853 121.718 120.200 -0.558 0.000 2.130 481 E HA -0.225 4.125 4.350 -0.000 0.000 0.196 481 E C 1.013 177.364 176.600 -0.416 0.000 0.998 481 E CA 1.491 57.343 56.400 -0.913 0.000 0.806 481 E CB 0.473 29.848 29.700 -0.542 0.000 0.738 481 E HN 0.526 nan 8.360 nan 0.000 0.459 482 E N 0.365 120.423 120.200 -0.237 0.000 2.478 482 E HA -0.093 4.256 4.350 -0.000 0.000 0.198 482 E C -0.091 176.448 176.600 -0.101 0.000 1.046 482 E CA 0.288 56.604 56.400 -0.141 0.000 0.870 482 E CB -0.193 29.440 29.700 -0.112 0.000 0.818 482 E HN 0.058 nan 8.360 nan 0.000 0.527 483 N N 2.019 120.650 118.700 -0.115 0.000 2.406 483 N HA 0.194 4.934 4.740 -0.000 0.000 0.251 483 N C -0.804 174.768 175.510 0.103 0.000 1.069 483 N CA 0.056 53.094 53.050 -0.020 0.000 0.947 483 N CB 1.159 39.604 38.487 -0.070 0.000 1.111 483 N HN 0.101 nan 8.380 nan 0.000 0.497 484 K N 1.233 121.746 120.400 0.188 0.000 2.426 484 K HA 0.447 4.767 4.320 -0.000 0.000 0.251 484 K C -1.098 175.667 176.600 0.275 0.000 0.941 484 K CA -0.914 55.504 56.287 0.219 0.000 0.808 484 K CB 2.448 35.084 32.500 0.227 0.000 1.265 484 K HN 0.186 nan 8.250 nan 0.000 0.432 485 L N 4.236 125.577 121.223 0.196 0.000 2.305 485 L HA 0.559 4.899 4.340 -0.000 0.000 0.284 485 L C -1.205 175.618 176.870 -0.078 0.000 1.013 485 L CA -0.111 54.699 54.840 -0.050 0.000 0.819 485 L CB 0.486 42.520 42.059 -0.042 0.000 1.227 485 L HN 0.669 nan 8.230 nan 0.000 0.417 486 W N 3.660 124.693 121.300 -0.446 0.000 2.967 486 W HA 0.661 5.321 4.660 -0.000 0.000 0.342 486 W C -2.080 173.967 176.519 -0.786 0.000 1.162 486 W CA -1.283 55.837 57.345 -0.376 0.000 1.085 486 W CB 0.791 30.179 29.460 -0.120 0.000 1.460 486 W HN 0.338 nan 8.180 nan 0.000 0.584 487 F N 1.352 121.459 119.950 0.262 0.000 2.540 487 F HA 0.343 4.870 4.527 -0.000 0.000 0.317 487 F C 0.751 176.695 175.800 0.241 0.000 1.104 487 F CA -1.002 57.041 58.000 0.072 0.000 0.913 487 F CB 2.109 41.138 39.000 0.049 0.000 1.170 487 F HN 0.265 nan 8.300 nan 0.000 0.450 488 S N 0.846 116.678 115.700 0.219 0.000 2.562 488 S HA 0.064 4.534 4.470 -0.000 0.000 0.281 488 S C 0.608 175.352 174.600 0.240 0.000 1.333 488 S CA -0.530 57.837 58.200 0.277 0.000 1.052 488 S CB 0.325 63.600 63.200 0.125 0.000 0.884 488 S HN 0.690 nan 8.310 nan 0.000 0.506 489 D N 2.941 123.473 120.400 0.219 0.000 2.325 489 D HA 0.171 4.811 4.640 -0.000 0.000 0.225 489 D C 0.884 177.248 176.300 0.106 0.000 1.096 489 D CA 0.351 54.437 54.000 0.142 0.000 0.844 489 D CB 0.219 41.087 40.800 0.112 0.000 0.925 489 D HN 0.484 nan 8.370 nan 0.000 0.513 490 K N -0.705 119.762 120.400 0.112 0.000 2.567 490 K HA 0.213 4.533 4.320 -0.000 0.000 0.199 490 K C -0.021 176.623 176.600 0.074 0.000 1.412 490 K CA -0.233 56.104 56.287 0.083 0.000 1.020 490 K CB 0.877 33.425 32.500 0.081 0.000 1.487 490 K HN 0.033 nan 8.250 nan 0.000 0.531 491 I N 2.770 123.386 120.570 0.078 0.000 2.428 491 I HA 0.033 4.203 4.170 -0.000 0.000 0.289 491 I C 0.449 176.604 176.117 0.063 0.000 1.019 491 I CA 0.084 61.419 61.300 0.058 0.000 1.351 491 I CB 1.479 39.502 38.000 0.038 0.000 1.412 491 I HN 0.147 nan 8.210 nan 0.000 0.513 492 T N 0.892 115.481 114.554 0.059 0.000 2.932 492 T HA 0.652 5.002 4.350 -0.000 0.000 0.289 492 T C -0.480 174.262 174.700 0.069 0.000 1.039 492 T CA -1.009 61.134 62.100 0.071 0.000 1.024 492 T CB 1.715 70.621 68.868 0.064 0.000 1.090 492 T HN 0.536 nan 8.240 nan 0.000 0.496 493 D N 0.875 121.334 120.400 0.098 0.000 2.478 493 D HA 0.436 5.076 4.640 -0.000 0.000 0.274 493 D C 1.579 177.933 176.300 0.091 0.000 1.234 493 D CA -0.478 53.587 54.000 0.109 0.000 1.069 493 D CB -0.063 40.839 40.800 0.170 0.000 1.113 493 D HN 0.646 nan 8.370 nan 0.000 0.571 494 A N -1.408 121.462 122.820 0.083 0.000 2.178 494 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 494 A C 1.038 178.494 177.584 -0.214 0.000 1.157 494 A CA 0.819 52.815 52.037 -0.068 0.000 0.689 494 A CB -0.968 17.958 19.000 -0.124 0.000 0.787 494 A HN 0.556 nan 8.150 nan 0.000 0.465 495 Y N -0.279 120.048 120.300 0.044 0.000 2.681 495 Y HA 0.250 4.800 4.550 -0.000 0.000 0.267 495 Y C 0.307 176.242 175.900 0.059 0.000 1.166 495 Y CA -0.305 57.826 58.100 0.051 0.000 1.209 495 Y CB -0.419 38.059 38.460 0.029 0.000 1.161 495 Y HN 0.445 nan 8.280 nan 0.000 0.534 499 Q N 4.186 124.080 119.800 0.158 0.000 2.289 499 Q HA 0.341 4.681 4.340 -0.000 0.000 0.273 499 Q C -2.295 173.655 176.000 -0.083 0.000 1.029 499 Q CA -1.084 54.756 55.803 0.062 0.000 0.896 499 Q CB 0.480 29.207 28.738 -0.018 0.000 1.182 499 Q HN 0.109 nan 8.270 nan 0.000 0.385 500 P HA 0.168 nan 4.420 nan 0.000 0.276 500 P C -1.190 175.592 177.300 -0.862 0.000 1.230 500 P CA -0.174 62.472 63.100 -0.756 0.000 0.776 500 P CB 1.197 32.559 31.700 -0.563 0.000 0.888 501 T N 3.035 116.849 114.554 -1.233 0.000 2.921 501 T HA 0.521 4.871 4.350 -0.000 0.000 0.297 501 T C -0.654 173.369 174.700 -1.128 0.000 1.013 501 T CA -0.194 61.197 62.100 -1.181 0.000 0.990 501 T CB 0.508 68.322 68.868 -1.757 0.000 1.023 501 T HN 0.064 nan 8.240 nan 0.000 0.447 502 F N 1.715 121.392 119.950 -0.455 0.000 2.425 502 F HA 0.497 5.024 4.527 -0.000 0.000 0.331 502 F C 0.687 176.441 175.800 -0.076 0.000 1.085 502 F CA -0.729 57.129 58.000 -0.238 0.000 1.028 502 F CB 1.195 40.105 39.000 -0.150 0.000 1.177 502 F HN 0.388 nan 8.300 nan 0.000 0.487 503 D N 3.539 124.115 120.400 0.294 0.000 2.420 503 D HA 0.219 4.859 4.640 -0.000 0.000 0.255 503 D C -1.791 174.640 176.300 0.218 0.000 1.185 503 D CA -0.100 54.054 54.000 0.257 0.000 0.904 503 D CB 0.693 41.670 40.800 0.294 0.000 1.102 503 D HN 0.337 nan 8.370 nan 0.000 0.534 504 F N 3.111 123.054 119.950 -0.011 0.000 2.574 504 F HA 0.583 5.110 4.527 -0.000 0.000 0.313 504 F C -1.195 174.495 175.800 -0.182 0.000 1.130 504 F CA -0.728 57.197 58.000 -0.125 0.000 0.936 504 F CB 1.600 40.457 39.000 -0.239 0.000 1.219 504 F HN 0.163 nan 8.300 nan 0.000 0.445 505 R N 4.243 124.173 120.500 -0.949 0.000 2.651 505 R HA 0.516 4.856 4.340 -0.000 0.000 0.278 505 R C -1.682 174.014 176.300 -1.008 0.000 1.010 505 R CA -0.677 55.005 56.100 -0.696 0.000 0.896 505 R CB 1.317 31.447 30.300 -0.283 0.000 1.211 505 R HN 0.582 nan 8.270 nan 0.000 0.456 506 F N 4.413 124.144 119.950 -0.365 0.000 2.602 506 F HA 0.159 4.686 4.527 -0.000 0.000 0.385 506 F C -1.387 174.298 175.800 -0.193 0.000 1.063 506 F CA -0.778 57.100 58.000 -0.204 0.000 1.233 506 F CB 0.318 39.316 39.000 -0.003 0.000 1.067 506 F HN 0.310 nan 8.300 nan 0.000 0.564 507 P HA 0.070 nan 4.420 nan 0.000 0.264 507 P C -0.502 176.819 177.300 0.034 0.000 1.193 507 P CA -0.142 62.950 63.100 -0.013 0.000 0.763 507 P CB 0.526 32.232 31.700 0.011 0.000 0.810 508 A N 3.276 126.101 122.820 0.007 0.000 2.475 508 A HA 0.501 4.821 4.320 -0.000 0.000 0.239 508 A C 1.138 178.739 177.584 0.027 0.000 1.087 508 A CA 0.946 52.991 52.037 0.014 0.000 0.779 508 A CB -1.038 17.962 19.000 0.000 0.000 1.036 508 A HN 0.849 nan 8.150 nan 0.000 0.506 509 G N -0.093 108.724 108.800 0.029 0.000 2.484 509 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.225 509 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.225 509 G C 0.932 175.863 174.900 0.052 0.000 1.250 509 G CA 0.690 45.812 45.100 0.038 0.000 0.926 509 G HN 1.061 nan 8.290 nan 0.000 0.581 510 R N -0.303 120.234 120.500 0.062 0.000 2.103 510 R HA -0.111 4.229 4.340 -0.000 0.000 0.242 510 R C 2.759 179.117 176.300 0.097 0.000 1.142 510 R CA 2.794 58.942 56.100 0.079 0.000 0.960 510 R CB -0.923 29.425 30.300 0.081 0.000 0.858 510 R HN 0.627 nan 8.270 nan 0.000 0.439 511 T N -0.004 114.610 114.554 0.099 0.000 2.720 511 T HA -0.110 4.240 4.350 -0.000 0.000 0.268 511 T C 1.895 176.642 174.700 0.079 0.000 1.037 511 T CA 1.837 64.007 62.100 0.117 0.000 1.144 511 T CB -0.136 68.821 68.868 0.149 0.000 0.864 511 T HN 0.294 nan 8.240 nan 0.000 0.444 512 S N 0.467 116.200 115.700 0.054 0.000 2.371 512 S HA -0.001 4.469 4.470 -0.000 0.000 0.224 512 S C 2.011 176.622 174.600 0.020 0.000 1.029 512 S CA 0.830 59.033 58.200 0.006 0.000 0.978 512 S CB -0.162 63.038 63.200 0.001 0.000 0.833 512 S HN 0.481 nan 8.310 nan 0.000 0.466 513 K N 1.429 121.857 120.400 0.048 0.000 2.032 513 K HA -0.152 4.168 4.320 -0.000 0.000 0.209 513 K C 1.892 178.553 176.600 0.102 0.000 1.048 513 K CA 1.542 57.867 56.287 0.063 0.000 0.927 513 K CB -0.165 32.376 32.500 0.069 0.000 0.712 513 K HN 0.344 nan 8.250 nan 0.000 0.441 514 E N -0.231 120.056 120.200 0.145 0.000 2.153 514 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 514 E C 1.880 178.587 176.600 0.177 0.000 0.988 514 E CA 0.927 57.478 56.400 0.251 0.000 0.811 514 E CB -0.070 29.813 29.700 0.305 0.000 0.746 514 E HN 0.460 nan 8.360 nan 0.000 0.466 515 A N 1.102 123.986 122.820 0.107 0.000 1.930 515 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 515 A C 2.033 179.680 177.584 0.105 0.000 1.175 515 A CA 1.534 53.626 52.037 0.092 0.000 0.627 515 A CB -0.217 18.814 19.000 0.053 0.000 0.815 515 A HN 0.098 nan 8.150 nan 0.000 0.443 516 E N 0.847 121.095 120.200 0.080 0.000 2.112 516 E HA -0.039 4.311 4.350 -0.000 0.000 0.190 516 E C 0.243 176.830 176.600 -0.022 0.000 0.979 516 E CA 0.430 56.876 56.400 0.077 0.000 0.814 516 E CB -0.222 29.506 29.700 0.047 0.000 0.762 516 E HN 0.513 nan 8.360 nan 0.000 0.460 527 A N 2.940 125.495 122.820 -0.442 0.000 1.986 527 A HA -0.057 4.263 4.320 -0.000 0.000 0.220 527 A C 1.945 179.410 177.584 -0.197 0.000 1.171 527 A CA 1.790 53.625 52.037 -0.336 0.000 0.640 527 A CB -0.635 18.193 19.000 -0.286 0.000 0.811 527 A HN 0.482 nan 8.150 nan 0.000 0.451 528 K N -0.374 119.952 120.400 -0.125 0.000 2.283 528 K HA -0.013 4.307 4.320 -0.000 0.000 0.202 528 K C 1.422 178.017 176.600 -0.007 0.000 1.048 528 K CA 0.783 57.038 56.287 -0.053 0.000 0.948 528 K CB -0.309 32.190 32.500 -0.002 0.000 0.742 528 K HN 0.523 nan 8.250 nan 0.000 0.458 529 I N -0.978 119.607 120.570 0.025 0.000 3.172 529 I HA 0.151 4.321 4.170 -0.000 0.000 0.278 529 I C 1.124 177.265 176.117 0.040 0.000 1.174 529 I CA 0.529 61.891 61.300 0.103 0.000 1.445 529 I CB -0.314 37.886 38.000 0.332 0.000 1.175 529 I HN 0.098 nan 8.210 nan 0.000 0.447 530 G N -0.490 108.286 108.800 -0.040 0.000 2.328 530 G HA2 0.451 4.411 3.960 -0.000 0.000 0.295 530 G HA3 0.451 4.411 3.960 -0.000 0.000 0.295 530 G C -0.683 174.091 174.900 -0.211 0.000 1.413 530 G CA -0.176 44.877 45.100 -0.080 0.000 0.817 530 G HN 0.282 nan 8.290 nan 0.000 0.546 531 G N -1.071 107.594 108.800 -0.226 0.000 2.537 531 G HA2 0.561 4.521 3.960 -0.000 0.000 0.273 531 G HA3 0.561 4.521 3.960 -0.000 0.000 0.273 531 G C -0.172 174.551 174.900 -0.294 0.000 1.189 531 G CA -0.562 44.308 45.100 -0.384 0.000 0.881 531 G HN 0.488 nan 8.290 nan 0.000 0.535 532 F N -0.654 119.208 119.950 -0.147 0.000 2.602 532 F HA 0.161 4.688 4.527 -0.000 0.000 0.367 532 F C 0.752 176.491 175.800 -0.103 0.000 1.126 532 F CA -0.688 57.220 58.000 -0.153 0.000 1.321 532 F CB 0.436 39.330 39.000 -0.176 0.000 1.094 532 F HN 0.185 nan 8.300 nan 0.000 0.594 533 L N 6.070 127.362 121.223 0.115 0.000 2.360 533 L HA 0.413 4.753 4.340 -0.000 0.000 0.276 533 L C -2.444 174.444 176.870 0.029 0.000 1.121 533 L CA -1.841 53.026 54.840 0.045 0.000 0.845 533 L CB 0.145 42.214 42.059 0.017 0.000 1.143 533 L HN 0.277 nan 8.230 nan 0.000 0.452 534 P HA 0.237 nan 4.420 nan 0.000 0.265 534 P C 0.597 177.894 177.300 -0.004 0.000 1.193 534 P CA 0.885 63.990 63.100 0.009 0.000 0.765 534 P CB 0.823 32.529 31.700 0.010 0.000 0.823 535 G N 1.980 110.770 108.800 -0.015 0.000 2.241 535 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.244 535 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.244 535 G C 0.411 175.301 174.900 -0.015 0.000 0.998 535 G CA 0.204 45.296 45.100 -0.013 0.000 0.621 535 G HN 0.531 nan 8.290 nan 0.000 0.519 536 S N 0.985 116.658 115.700 -0.045 0.000 2.327 536 S HA 0.553 5.023 4.470 -0.000 0.000 0.203 536 S C 0.294 174.752 174.600 -0.236 0.000 1.326 536 S CA -0.558 57.589 58.200 -0.089 0.000 1.248 536 S CB 0.325 63.471 63.200 -0.091 0.000 1.199 536 S HN 0.496 nan 8.310 nan 0.000 0.422 537 L N 1.681 122.757 121.223 -0.245 0.000 2.439 537 L HA 0.414 4.754 4.340 -0.000 0.000 0.261 537 L C -2.304 174.239 176.870 -0.545 0.000 1.153 537 L CA -2.452 52.116 54.840 -0.454 0.000 0.808 537 L CB -0.191 41.677 42.059 -0.319 0.000 1.126 537 L HN 0.061 nan 8.230 nan 0.000 0.460 538 P HA 0.002 nan 4.420 nan 0.000 0.262 538 P C -1.295 175.765 177.300 -0.400 0.000 1.182 538 P CA 0.161 62.861 63.100 -0.666 0.000 0.761 538 P CB 0.348 31.578 31.700 -0.784 0.000 0.795 539 Q N 1.654 121.261 119.800 -0.322 0.000 2.472 539 Q HA 0.480 4.820 4.340 -0.000 0.000 0.281 539 Q C -1.251 174.620 176.000 -0.215 0.000 0.997 539 Q CA -0.831 54.876 55.803 -0.161 0.000 0.828 539 Q CB 0.726 29.437 28.738 -0.046 0.000 1.443 539 Q HN 0.116 nan 8.270 nan 0.000 0.390 543 P HA 0.093 nan 4.420 nan 0.000 0.264 543 P C 0.721 177.952 177.300 -0.116 0.000 1.193 543 P CA 1.070 64.202 63.100 0.054 0.000 0.763 543 P CB 0.474 32.168 31.700 -0.009 0.000 0.810 544 G N 2.335 111.052 108.800 -0.138 0.000 2.217 544 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.246 544 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.246 544 G C 0.722 175.555 174.900 -0.112 0.000 0.990 544 G CA 0.194 45.168 45.100 -0.211 0.000 0.627 544 G HN 0.542 nan 8.290 nan 0.000 0.522 545 L N 1.067 122.253 121.223 -0.062 0.000 2.265 545 L HA 0.258 4.598 4.340 -0.000 0.000 0.215 545 L C 2.715 179.524 176.870 -0.101 0.000 1.117 545 L CA 2.370 57.179 54.840 -0.053 0.000 0.782 545 L CB -0.058 42.002 42.059 0.002 0.000 0.914 545 L HN 0.521 nan 8.230 nan 0.000 0.441 546 V N -0.327 119.533 119.914 -0.090 0.000 2.809 546 V HA -0.090 4.030 4.120 -0.000 0.000 0.256 546 V C 1.521 177.463 176.094 -0.253 0.000 1.080 546 V CA 0.962 63.173 62.300 -0.148 0.000 1.102 546 V CB -0.302 31.489 31.823 -0.053 0.000 0.705 546 V HN 0.463 nan 8.190 nan 0.000 0.475 547 L N 0.368 121.523 121.223 -0.113 0.000 3.634 547 L HA -0.247 4.093 4.340 -0.000 0.000 0.423 547 L C 0.291 177.260 176.870 0.166 0.000 1.253 547 L CA 0.985 55.824 54.840 -0.002 0.000 0.885 547 L CB -2.676 39.399 42.059 0.027 0.000 1.789 547 L HN 0.567 nan 8.230 nan 0.000 0.904 548 H N -0.655 118.502 119.070 0.145 0.000 2.481 548 H HA 0.305 4.861 4.556 -0.000 0.000 0.273 548 H C 0.493 175.940 175.328 0.199 0.000 1.145 548 H CA -1.171 55.007 56.048 0.217 0.000 0.964 548 H CB 0.660 30.598 29.762 0.292 0.000 1.722 548 H HN 0.187 nan 8.280 nan 0.000 0.573 549 L N 2.035 123.385 121.223 0.212 0.000 2.601 549 L HA 0.142 4.482 4.340 -0.000 0.000 0.277 549 L C 0.625 177.618 176.870 0.206 0.000 1.219 549 L CA 0.847 55.764 54.840 0.129 0.000 0.915 549 L CB 0.102 42.203 42.059 0.070 0.000 1.160 549 L HN 0.351 nan 8.230 nan 0.000 0.494 550 G N 2.055 110.990 108.800 0.226 0.000 2.798 550 G HA2 0.536 4.496 3.960 -0.000 0.000 0.286 550 G HA3 0.536 4.496 3.960 -0.000 0.000 0.286 550 G C 0.326 175.326 174.900 0.167 0.000 1.389 550 G CA -0.293 44.954 45.100 0.244 0.000 0.894 550 G HN 1.309 nan 8.290 nan 0.000 0.488 551 G N -1.349 107.519 108.800 0.113 0.000 2.166 551 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.260 551 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.260 551 G C 1.270 176.224 174.900 0.090 0.000 0.986 551 G CA 1.728 46.895 45.100 0.110 0.000 0.683 551 G HN 1.840 nan 8.290 nan 0.000 0.527 552 T N -2.263 112.291 114.554 0.001 0.000 2.995 552 T HA 0.139 4.489 4.350 -0.000 0.000 0.269 552 T C 1.021 175.772 174.700 0.084 0.000 1.091 552 T CA 1.720 63.858 62.100 0.063 0.000 1.128 552 T CB -0.210 68.706 68.868 0.079 0.000 0.891 552 T HN 1.378 nan 8.240 nan 0.000 0.492 553 H N 0.201 119.343 119.070 0.119 0.000 2.514 553 H HA 0.525 5.081 4.556 -0.000 0.000 0.226 553 H C 0.088 175.456 175.328 0.066 0.000 1.421 553 H CA -1.392 54.702 56.048 0.077 0.000 1.394 553 H CB -0.048 29.723 29.762 0.016 0.000 1.701 553 H HN 0.348 nan 8.280 nan 0.000 0.515 557 F N 0.050 120.101 119.950 0.167 0.000 2.335 557 F HA 0.282 4.809 4.527 -0.000 0.000 0.296 557 F C 1.186 177.122 175.800 0.226 0.000 1.091 557 F CA 1.059 59.160 58.000 0.168 0.000 1.399 557 F CB 0.632 39.688 39.000 0.094 0.000 1.067 557 F HN 0.326 nan 8.300 nan 0.000 0.520 558 D N -0.338 120.236 120.400 0.290 0.000 2.863 558 D HA 0.045 4.685 4.640 -0.000 0.000 0.245 558 D C 0.510 176.657 176.300 -0.255 0.000 1.211 558 D CA -0.086 53.931 54.000 0.027 0.000 0.888 558 D CB 1.825 42.653 40.800 0.047 0.000 1.483 558 D HN 0.185 nan 8.370 nan 0.000 0.533 559 E N 2.981 122.680 120.200 -0.835 0.000 2.085 559 E HA -0.232 4.118 4.350 -0.000 0.000 0.194 559 E C 1.058 177.464 176.600 -0.322 0.000 0.994 559 E CA 1.388 57.251 56.400 -0.895 0.000 0.801 559 E CB 0.418 29.421 29.700 -1.160 0.000 0.743 559 E HN 0.269 nan 8.360 nan 0.000 0.453 560 K N 0.152 120.414 120.400 -0.230 0.000 2.044 560 K HA -0.018 4.302 4.320 -0.000 0.000 0.204 560 K C 2.123 178.687 176.600 -0.060 0.000 1.045 560 K CA 1.169 57.393 56.287 -0.107 0.000 0.951 560 K CB 0.164 32.617 32.500 -0.079 0.000 0.738 560 K HN 0.052 nan 8.250 nan 0.000 0.443 561 E N 0.610 120.782 120.200 -0.047 0.000 2.106 561 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 561 E C 0.554 177.153 176.600 -0.002 0.000 0.984 561 E CA 1.012 57.407 56.400 -0.008 0.000 0.806 561 E CB 0.077 29.784 29.700 0.012 0.000 0.750 561 E HN 0.378 nan 8.360 nan 0.000 0.458 562 D N 0.314 120.710 120.400 -0.008 0.000 2.340 562 D HA 0.037 4.677 4.640 -0.000 0.000 0.217 562 D C -0.524 175.722 176.300 -0.091 0.000 1.081 562 D CA -0.071 53.922 54.000 -0.011 0.000 0.842 562 D CB -0.062 40.771 40.800 0.055 0.000 0.934 562 D HN 0.101 nan 8.370 nan 0.000 0.511 563 N N 0.814 119.453 118.700 -0.102 0.000 2.667 563 N HA -0.188 4.552 4.740 -0.000 0.000 0.263 563 N C -0.249 175.181 175.510 -0.133 0.000 1.038 563 N CA 0.453 53.417 53.050 -0.142 0.000 0.749 563 N CB -1.329 36.971 38.487 -0.311 0.000 0.892 563 N HN 0.411 nan 8.380 nan 0.000 0.546 564 C N -3.154 116.141 119.300 -0.008 0.000 3.285 564 C HA 0.757 5.217 4.460 -0.000 0.000 0.320 564 C C 1.402 176.543 174.990 0.252 0.000 1.411 564 C CA -0.682 58.400 59.018 0.107 0.000 1.429 564 C CB 1.526 29.352 27.740 0.144 0.000 1.812 564 C HN 0.501 nan 8.230 nan 0.000 0.454 565 C N 0.305 119.781 119.300 0.294 0.000 2.800 565 C HA 0.477 4.937 4.460 -0.000 0.000 0.379 565 C C 0.734 175.846 174.990 0.203 0.000 1.304 565 C CA 0.634 59.828 59.018 0.293 0.000 1.960 565 C CB -0.358 27.485 27.740 0.172 0.000 2.599 565 C HN 0.940 nan 8.230 nan 0.000 0.578 566 V N 1.206 121.136 119.914 0.027 0.000 3.001 566 V HA 0.685 4.805 4.120 -0.000 0.000 0.314 566 V C -0.670 175.126 176.094 -0.496 0.000 1.099 566 V CA -0.702 61.387 62.300 -0.352 0.000 0.989 566 V CB 1.460 33.165 31.823 -0.195 0.000 1.040 566 V HN 0.413 nan 8.190 nan 0.000 0.434 567 N N 0.810 119.044 118.700 -0.775 0.000 2.374 567 N HA 0.223 4.963 4.740 -0.000 0.000 0.284 567 N C 1.115 176.465 175.510 -0.267 0.000 1.280 567 N CA 0.308 53.068 53.050 -0.483 0.000 0.963 567 N CB -0.173 38.019 38.487 -0.493 0.000 1.141 567 N HN 0.924 nan 8.380 nan 0.000 0.565 568 T N -4.420 110.010 114.554 -0.207 0.000 3.007 568 T HA -0.051 4.299 4.350 -0.000 0.000 0.270 568 T C 0.307 174.914 174.700 -0.155 0.000 1.107 568 T CA 0.905 62.890 62.100 -0.191 0.000 1.118 568 T CB -0.386 68.379 68.868 -0.172 0.000 0.889 568 T HN 0.455 nan 8.240 nan 0.000 0.506 569 D N 1.287 121.590 120.400 -0.161 0.000 2.328 569 D HA 0.160 4.800 4.640 -0.000 0.000 0.226 569 D C 0.573 176.872 176.300 -0.001 0.000 1.066 569 D CA 0.236 54.168 54.000 -0.114 0.000 0.861 569 D CB -0.055 40.585 40.800 -0.266 0.000 0.912 569 D HN 0.369 nan 8.370 nan 0.000 0.521 570 S N 0.088 115.754 115.700 -0.057 0.000 3.476 570 S HA -0.261 4.208 4.470 -0.000 0.000 0.309 570 S C 0.544 175.123 174.600 -0.035 0.000 1.222 570 S CA 0.439 58.642 58.200 0.004 0.000 0.922 570 S CB -1.423 61.860 63.200 0.140 0.000 1.023 570 S HN 0.469 nan 8.310 nan 0.000 0.591 571 R N 1.182 121.538 120.500 -0.240 0.000 2.297 571 R HA 0.471 4.811 4.340 -0.000 0.000 0.308 571 R C -0.033 175.952 176.300 -0.526 0.000 1.029 571 R CA -0.472 55.302 56.100 -0.544 0.000 0.929 571 R CB 0.724 30.669 30.300 -0.591 0.000 1.046 571 R HN 0.144 nan 8.270 nan 0.000 0.461 572 V N 6.143 125.779 119.914 -0.463 0.000 2.540 572 V HA -0.027 4.093 4.120 -0.000 0.000 0.297 572 V C 0.248 176.275 176.094 -0.111 0.000 1.024 572 V CA 0.335 62.456 62.300 -0.299 0.000 1.105 572 V CB -0.243 31.369 31.823 -0.351 0.000 0.938 572 V HN 0.559 nan 8.190 nan 0.000 0.482 573 F N 3.940 123.918 119.950 0.047 0.000 2.608 573 F HA 0.400 4.927 4.527 -0.000 0.000 0.380 573 F C 1.570 177.494 175.800 0.208 0.000 1.083 573 F CA 1.582 59.638 58.000 0.093 0.000 1.266 573 F CB 0.054 39.103 39.000 0.081 0.000 1.076 573 F HN 0.797 nan 8.300 nan 0.000 0.574 574 G N 2.477 111.460 108.800 0.304 0.000 2.268 574 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.240 574 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.240 574 G C -0.036 174.818 174.900 -0.075 0.000 1.010 574 G CA -0.409 44.760 45.100 0.116 0.000 0.618 574 G HN 0.471 nan 8.290 nan 0.000 0.516 575 F N 0.921 120.890 119.950 0.031 0.000 2.427 575 F HA 0.595 5.122 4.527 -0.000 0.000 0.346 575 F C 1.351 177.129 175.800 -0.037 0.000 1.120 575 F CA -0.626 57.377 58.000 0.006 0.000 1.033 575 F CB 1.839 40.837 39.000 -0.003 0.000 1.126 575 F HN -0.095 nan 8.300 nan 0.000 0.462 576 K N 1.429 121.923 120.400 0.156 0.000 2.288 576 K HA -0.094 4.226 4.320 -0.000 0.000 0.201 576 K C 0.775 177.575 176.600 0.334 0.000 1.048 576 K CA 1.112 57.526 56.287 0.212 0.000 0.956 576 K CB 0.085 32.714 32.500 0.216 0.000 0.746 576 K HN 0.661 nan 8.250 nan 0.000 0.461 577 N N -0.205 118.644 118.700 0.247 0.000 2.301 577 N HA 0.019 4.759 4.740 -0.000 0.000 0.247 577 N C -1.008 174.580 175.510 0.130 0.000 1.347 577 N CA -0.348 52.888 53.050 0.310 0.000 0.844 577 N CB 0.102 38.825 38.487 0.393 0.000 1.332 577 N HN -0.063 nan 8.380 nan 0.000 0.494 578 L N 0.756 121.833 121.223 -0.243 0.000 2.349 578 L HA 0.700 5.040 4.340 -0.000 0.000 0.278 578 L C -1.784 174.649 176.870 -0.729 0.000 0.996 578 L CA -0.613 54.052 54.840 -0.292 0.000 0.825 578 L CB 0.870 42.764 42.059 -0.276 0.000 1.243 578 L HN -0.012 nan 8.230 nan 0.000 0.412 579 F N 5.045 124.906 119.950 -0.148 0.000 2.532 579 F HA 0.649 5.176 4.527 -0.000 0.000 0.321 579 F C -0.527 175.117 175.800 -0.260 0.000 1.089 579 F CA -0.719 57.176 58.000 -0.175 0.000 0.926 579 F CB 1.782 40.715 39.000 -0.112 0.000 1.168 579 F HN 0.181 nan 8.300 nan 0.000 0.459 580 L N 2.145 123.308 121.223 -0.100 0.000 2.346 580 L HA 0.829 5.169 4.340 -0.000 0.000 0.276 580 L C 0.108 176.964 176.870 -0.024 0.000 1.006 580 L CA -0.800 53.906 54.840 -0.224 0.000 0.817 580 L CB 1.852 43.591 42.059 -0.533 0.000 1.272 580 L HN 0.792 nan 8.230 nan 0.000 0.421 581 G N 0.512 109.315 108.800 0.006 0.000 2.448 581 G HA2 0.777 4.737 3.960 -0.000 0.000 0.324 581 G HA3 0.777 4.737 3.960 -0.000 0.000 0.324 581 G C -0.378 174.633 174.900 0.186 0.000 1.203 581 G CA -0.225 44.980 45.100 0.176 0.000 0.954 581 G HN 0.960 nan 8.290 nan 0.000 0.480 582 G N -1.086 107.817 108.800 0.173 0.000 2.353 582 G HA2 0.015 3.975 3.960 -0.000 0.000 0.615 582 G HA3 0.015 3.975 3.960 -0.000 0.000 0.615 582 G C 0.832 175.787 174.900 0.092 0.000 1.280 582 G CA 0.000 45.179 45.100 0.131 0.000 1.000 582 G HN 1.187 nan 8.290 nan 0.000 0.516 583 C N 0.632 119.962 119.300 0.050 0.000 2.409 583 C HA 0.168 4.628 4.460 -0.000 0.000 0.284 583 C C 3.069 178.046 174.990 -0.022 0.000 1.354 583 C CA 1.835 60.864 59.018 0.019 0.000 1.787 583 C CB -1.409 26.377 27.740 0.077 0.000 1.900 583 C HN 1.357 nan 8.230 nan 0.000 0.520 584 G N 1.088 109.791 108.800 -0.162 0.000 2.479 584 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.220 584 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.220 584 G C 1.442 176.017 174.900 -0.543 0.000 1.115 584 G CA 0.827 45.543 45.100 -0.640 0.000 0.757 584 G HN 0.560 nan 8.290 nan 0.000 0.560 585 N N 0.258 118.879 118.700 -0.131 0.000 2.354 585 N HA 0.043 4.783 4.740 -0.000 0.000 0.179 585 N C 0.911 176.445 175.510 0.040 0.000 1.021 585 N CA 0.081 53.171 53.050 0.067 0.000 0.887 585 N CB 0.048 38.612 38.487 0.128 0.000 0.974 585 N HN 0.292 nan 8.380 nan 0.000 0.437 586 I N 3.044 123.631 120.570 0.028 0.000 2.587 586 I HA 0.019 4.189 4.170 -0.000 0.000 0.284 586 I C -1.311 174.887 176.117 0.133 0.000 1.134 586 I CA -0.908 60.429 61.300 0.062 0.000 1.410 586 I CB 1.086 39.069 38.000 -0.029 0.000 1.392 586 I HN -0.022 nan 8.210 nan 0.000 0.545 587 P HA 0.058 nan 4.420 nan 0.000 0.264 587 P C 0.271 177.654 177.300 0.138 0.000 1.259 587 P CA 0.265 63.429 63.100 0.106 0.000 0.841 587 P CB 0.196 31.921 31.700 0.043 0.000 1.232 588 T N -2.180 112.483 114.554 0.181 0.000 2.897 588 T HA 0.683 5.033 4.350 -0.000 0.000 0.278 588 T C 0.204 175.026 174.700 0.203 0.000 0.981 588 T CA -0.884 61.311 62.100 0.158 0.000 0.973 588 T CB 0.994 69.929 68.868 0.111 0.000 1.092 588 T HN 0.055 nan 8.240 nan 0.000 0.543 589 A N 1.660 124.544 122.820 0.106 0.000 2.347 589 A HA 0.591 4.911 4.320 -0.000 0.000 0.287 589 A C -0.607 176.954 177.584 -0.039 0.000 1.199 589 A CA -0.805 51.251 52.037 0.032 0.000 0.851 589 A CB -0.953 18.077 19.000 0.050 0.000 1.118 589 A HN 0.846 nan 8.150 nan 0.000 0.525 590 Y N -0.231 119.979 120.300 -0.150 0.000 2.499 590 Y HA 0.724 5.274 4.550 -0.000 0.000 0.347 590 Y C 0.776 176.548 175.900 -0.213 0.000 0.987 590 Y CA -0.765 57.072 58.100 -0.438 0.000 1.044 590 Y CB 1.353 39.362 38.460 -0.751 0.000 1.245 590 Y HN 0.391 nan 8.280 nan 0.000 0.461 591 G N 0.604 109.311 108.800 -0.155 0.000 2.576 591 G HA2 0.359 4.319 3.960 -0.000 0.000 0.210 591 G HA3 0.359 4.319 3.960 -0.000 0.000 0.210 591 G C 0.486 175.452 174.900 0.110 0.000 1.143 591 G CA 0.189 45.379 45.100 0.149 0.000 0.819 591 G HN 0.960 nan 8.290 nan 0.000 0.534 592 A N 0.723 123.452 122.820 -0.152 0.000 2.386 592 A HA 0.446 4.766 4.320 -0.000 0.000 0.246 592 A C -0.066 177.428 177.584 -0.151 0.000 1.089 592 A CA -0.450 51.387 52.037 -0.334 0.000 0.790 592 A CB 0.005 18.856 19.000 -0.247 0.000 1.042 592 A HN 0.367 nan 8.150 nan 0.000 0.497 593 N N 1.920 120.368 118.700 -0.421 0.000 2.447 593 N HA 0.221 4.961 4.740 -0.000 0.000 0.263 593 N C -1.976 173.428 175.510 -0.175 0.000 1.226 593 N CA -0.795 52.003 53.050 -0.419 0.000 0.906 593 N CB 0.463 38.773 38.487 -0.295 0.000 1.060 593 N HN 0.412 nan 8.380 nan 0.000 0.468 594 P HA -0.016 nan 4.420 nan 0.000 0.240 594 P C 0.561 177.744 177.300 -0.194 0.000 1.190 594 P CA 0.672 63.645 63.100 -0.211 0.000 0.781 594 P CB 0.310 31.879 31.700 -0.218 0.000 0.931 595 T N 1.053 115.582 114.554 -0.041 0.000 2.684 595 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 595 T C 1.766 176.526 174.700 0.100 0.000 1.036 595 T CA 1.156 63.295 62.100 0.065 0.000 1.148 595 T CB -0.850 68.125 68.868 0.177 0.000 0.863 595 T HN 0.023 nan 8.240 nan 0.000 0.436 596 L N 0.904 122.210 121.223 0.138 0.000 2.046 596 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 596 L C 2.578 179.482 176.870 0.056 0.000 1.077 596 L CA 1.771 56.721 54.840 0.185 0.000 0.747 596 L CB -1.077 41.104 42.059 0.204 0.000 0.896 596 L HN 0.205 nan 8.230 nan 0.000 0.432 597 T N 0.114 114.576 114.554 -0.154 0.000 2.708 597 T HA -0.041 4.309 4.350 -0.000 0.000 0.266 597 T C 1.095 175.697 174.700 -0.162 0.000 1.037 597 T CA 0.866 62.786 62.100 -0.299 0.000 1.146 597 T CB -0.478 67.808 68.868 -0.970 0.000 0.865 597 T HN 0.532 nan 8.240 nan 0.000 0.435 601 L N 2.966 124.048 121.223 -0.235 0.000 2.046 601 L HA 0.206 4.546 4.340 -0.000 0.000 0.208 601 L C 2.599 179.335 176.870 -0.225 0.000 1.077 601 L CA 2.354 57.058 54.840 -0.226 0.000 0.747 601 L CB -1.297 40.702 42.059 -0.100 0.000 0.896 601 L HN 0.488 nan 8.230 nan 0.000 0.432 602 A N -0.757 121.921 122.820 -0.236 0.000 1.930 602 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 602 A C 2.312 179.572 177.584 -0.540 0.000 1.175 602 A CA 1.474 53.258 52.037 -0.420 0.000 0.627 602 A CB -0.610 18.140 19.000 -0.417 0.000 0.815 602 A HN 0.373 nan 8.150 nan 0.000 0.443 603 I N -0.280 120.061 120.570 -0.381 0.000 2.208 603 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 603 I C 2.473 178.421 176.117 -0.283 0.000 1.097 603 I CA 1.962 63.072 61.300 -0.317 0.000 1.363 603 I CB -0.149 37.678 38.000 -0.288 0.000 1.051 603 I HN 0.385 nan 8.210 nan 0.000 0.413 604 K N 0.273 120.503 120.400 -0.283 0.000 2.147 604 K HA -0.192 4.128 4.320 -0.000 0.000 0.205 604 K C 2.274 178.781 176.600 -0.155 0.000 1.049 604 K CA 1.668 57.817 56.287 -0.230 0.000 0.936 604 K CB -0.113 32.215 32.500 -0.287 0.000 0.722 604 K HN 0.121 nan 8.250 nan 0.000 0.446 605 S N -0.348 115.241 115.700 -0.185 0.000 2.368 605 S HA -0.121 4.349 4.470 -0.000 0.000 0.224 605 S C 1.925 176.435 174.600 -0.151 0.000 1.029 605 S CA 1.233 59.367 58.200 -0.109 0.000 0.988 605 S CB -0.427 62.732 63.200 -0.067 0.000 0.838 605 S HN 0.590 nan 8.310 nan 0.000 0.462 606 C N 1.490 120.624 119.300 -0.277 0.000 2.432 606 C HA 0.037 4.497 4.460 -0.000 0.000 0.280 606 C C 2.466 177.384 174.990 -0.121 0.000 1.353 606 C CA 0.468 59.344 59.018 -0.237 0.000 1.766 606 C CB -1.440 26.127 27.740 -0.289 0.000 1.924 606 C HN 0.664 nan 8.230 nan 0.000 0.509 607 E N -0.425 119.721 120.200 -0.091 0.000 2.085 607 E HA -0.249 4.101 4.350 -0.000 0.000 0.194 607 E C 1.836 178.446 176.600 0.018 0.000 0.994 607 E CA 1.527 57.903 56.400 -0.040 0.000 0.801 607 E CB -0.280 29.388 29.700 -0.053 0.000 0.743 607 E HN 0.811 nan 8.360 nan 0.000 0.453 608 Y N 1.117 121.383 120.300 -0.057 0.000 2.114 608 Y HA -0.230 4.320 4.550 -0.000 0.000 0.284 608 Y C 1.958 177.883 175.900 0.041 0.000 1.143 608 Y CA 1.632 59.738 58.100 0.009 0.000 1.135 608 Y CB -0.173 38.328 38.460 0.069 0.000 0.980 608 Y HN -0.030 nan 8.280 nan 0.000 0.499 609 I N 0.326 120.931 120.570 0.058 0.000 2.194 609 I HA -0.379 3.791 4.170 -0.000 0.000 0.246 609 I C 2.317 178.451 176.117 0.029 0.000 1.093 609 I CA 1.823 63.143 61.300 0.033 0.000 1.355 609 I CB -0.469 37.363 38.000 -0.280 0.000 1.046 609 I HN 0.225 nan 8.210 nan 0.000 0.413 610 K N 0.367 120.761 120.400 -0.010 0.000 2.147 610 K HA -0.210 4.110 4.320 -0.000 0.000 0.205 610 K C 1.964 178.586 176.600 0.036 0.000 1.049 610 K CA 1.259 57.600 56.287 0.090 0.000 0.936 610 K CB -0.127 32.414 32.500 0.068 0.000 0.722 610 K HN 0.422 nan 8.250 nan 0.000 0.446 611 Q N -0.242 119.504 119.800 -0.089 0.000 2.444 611 Q HA 0.053 4.393 4.340 -0.000 0.000 0.206 611 Q C 0.765 176.614 176.000 -0.252 0.000 0.948 611 Q CA 0.491 56.202 55.803 -0.154 0.000 0.946 611 Q CB 0.429 29.057 28.738 -0.183 0.000 1.027 611 Q HN 0.269 nan 8.270 nan 0.000 0.513 612 N N -1.251 117.266 118.700 -0.305 0.000 2.067 612 N HA 0.136 4.876 4.740 -0.000 0.000 0.227 612 N C -1.056 174.011 175.510 -0.738 0.000 1.348 612 N CA 0.218 52.931 53.050 -0.560 0.000 0.879 612 N CB 1.139 39.086 38.487 -0.900 0.000 1.109 612 N HN -0.009 nan 8.380 nan 0.000 0.501 613 F N 0.814 120.767 119.950 0.005 0.000 2.561 613 F HA 0.328 4.855 4.527 -0.000 0.000 0.313 613 F C 0.074 176.020 175.800 0.243 0.000 1.126 613 F CA -0.657 57.408 58.000 0.108 0.000 0.918 613 F CB 1.714 40.758 39.000 0.073 0.000 1.199 613 F HN -0.358 nan 8.300 nan 0.000 0.444 614 T N 3.881 118.634 114.554 0.332 0.000 2.817 614 T HA 0.354 4.704 4.350 -0.000 0.000 0.293 614 T C -2.562 172.258 174.700 0.198 0.000 0.964 614 T CA -1.392 60.825 62.100 0.195 0.000 1.085 614 T CB 0.882 69.797 68.868 0.078 0.000 0.921 614 T HN 0.126 nan 8.240 nan 0.000 0.502 615 P HA 0.111 nan 4.420 nan 0.000 0.266 615 P C 0.017 177.266 177.300 -0.085 0.000 1.195 615 P CA -0.335 62.529 63.100 -0.393 0.000 0.768 615 P CB 0.324 31.535 31.700 -0.815 0.000 0.838 616 S N 3.248 118.952 115.700 0.008 0.000 2.585 616 S HA 0.334 4.804 4.470 -0.000 0.000 0.273 616 S C -2.232 172.377 174.600 0.015 0.000 1.339 616 S CA -1.100 57.114 58.200 0.023 0.000 1.028 616 S CB -0.678 62.544 63.200 0.037 0.000 0.906 616 S HN 0.230 nan 8.310 nan 0.000 0.528 617 P HA 0.088 nan 4.420 nan 0.000 0.264 617 P C -0.600 176.743 177.300 0.072 0.000 1.183 617 P CA -0.096 63.028 63.100 0.041 0.000 0.763 617 P CB 0.003 31.716 31.700 0.021 0.000 0.807 618 F N 4.461 124.395 119.950 -0.027 0.000 2.502 618 F HA 0.313 4.840 4.527 -0.000 0.000 0.371 618 F C 0.254 176.046 175.800 -0.013 0.000 1.083 618 F CA 0.447 58.437 58.000 -0.017 0.000 1.174 618 F CB 0.134 39.124 39.000 -0.016 0.000 1.096 618 F HN 0.344 nan 8.300 nan 0.000 0.545 619 T N 0.000 114.201 114.554 -0.588 0.000 3.816 619 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 619 T CA 0.000 61.831 62.100 -0.448 0.000 1.349 619 T CB 0.000 68.751 68.868 -0.195 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658