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_A 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 0.000 176.228 176.300 -0.120 0.000 2.045 44 D CA 0.000 53.953 54.000 -0.079 0.000 0.868 44 D CB 0.000 40.650 40.800 -0.250 0.000 0.688 45 I N 1.799 122.252 120.570 -0.195 0.000 2.339 45 I HA 0.105 4.274 4.170 -0.001 0.000 0.245 45 I C 0.312 176.357 176.117 -0.120 0.000 1.096 45 I CA 1.407 62.641 61.300 -0.111 0.000 1.408 45 I CB 0.140 38.093 38.000 -0.079 0.000 1.092 45 I HN 0.232 nan 8.210 nan 0.000 0.423 46 K N -0.234 119.976 120.400 -0.315 0.000 2.345 46 K HA 0.442 4.762 4.320 -0.001 0.000 0.255 46 K C -1.882 174.416 176.600 -0.504 0.000 0.934 46 K CA -0.395 55.749 56.287 -0.238 0.000 0.801 46 K CB 0.877 33.298 32.500 -0.131 0.000 1.137 46 K HN 0.081 nan 8.250 nan 0.000 0.424 47 Y N 1.422 121.717 120.300 -0.008 0.000 2.570 47 Y HA 0.257 4.807 4.550 -0.001 0.000 0.345 47 Y C 0.639 176.521 175.900 -0.031 0.000 1.014 47 Y CA -0.723 57.366 58.100 -0.019 0.000 1.063 47 Y CB 1.958 40.404 38.460 -0.024 0.000 1.272 47 Y HN 0.662 nan 8.280 nan 0.000 0.477 48 D N 0.270 120.772 120.400 0.170 0.000 2.084 48 D HA -0.006 4.634 4.640 -0.001 0.000 0.196 48 D C -0.176 176.126 176.300 0.003 0.000 0.985 48 D CA 1.555 55.636 54.000 0.135 0.000 0.826 48 D CB 0.196 41.164 40.800 0.279 0.000 0.978 48 D HN 0.128 nan 8.370 nan 0.000 0.456 49 V N 0.349 120.254 119.914 -0.014 0.000 2.876 49 V HA 0.466 4.586 4.120 -0.001 0.000 0.312 49 V C -0.412 175.581 176.094 -0.168 0.000 1.085 49 V CA -0.847 61.348 62.300 -0.176 0.000 0.945 49 V CB 3.095 34.789 31.823 -0.215 0.000 1.017 49 V HN -0.237 nan 8.190 nan 0.000 0.428 50 V N 5.114 124.883 119.914 -0.241 0.000 2.577 50 V HA 0.563 4.683 4.120 -0.001 0.000 0.303 50 V C -0.753 175.279 176.094 -0.103 0.000 1.042 50 V CA -0.278 61.932 62.300 -0.150 0.000 0.872 50 V CB 1.896 33.650 31.823 -0.116 0.000 0.998 50 V HN 0.717 nan 8.190 nan 0.000 0.423 51 I N 5.705 126.238 120.570 -0.062 0.000 2.406 51 I HA 0.478 4.648 4.170 -0.001 0.000 0.290 51 I C -0.503 175.637 176.117 0.037 0.000 0.999 51 I CA -0.945 60.312 61.300 -0.072 0.000 1.124 51 I CB 2.090 40.035 38.000 -0.093 0.000 1.289 51 I HN 0.207 nan 8.210 nan 0.000 0.441 52 V N 5.466 125.386 119.914 0.011 0.000 2.333 52 V HA 0.757 4.876 4.120 -0.001 0.000 0.274 52 V C 0.467 176.569 176.094 0.013 0.000 1.028 52 V CA -0.268 62.062 62.300 0.051 0.000 0.851 52 V CB 0.518 32.345 31.823 0.008 0.000 1.000 52 V HN 1.075 nan 8.190 nan 0.000 0.456 53 G N 3.937 112.763 108.800 0.042 0.000 3.067 53 G HA2 -0.037 3.923 3.960 -0.001 0.000 0.686 53 G HA3 -0.037 3.923 3.960 -0.001 0.000 0.686 53 G C -0.090 174.827 174.900 0.029 0.000 1.119 53 G CA -0.269 44.846 45.100 0.025 0.000 0.790 53 G HN 1.319 nan 8.290 nan 0.000 0.605 54 S N 1.383 117.103 115.700 0.035 0.000 2.526 54 S HA 0.631 5.101 4.470 -0.001 0.000 0.245 54 S C 1.198 175.811 174.600 0.022 0.000 1.103 54 S CA 0.640 58.868 58.200 0.047 0.000 1.095 54 S CB 0.583 63.823 63.200 0.067 0.000 0.826 54 S HN 1.890 nan 8.310 nan 0.000 0.468 55 G N 2.400 111.200 108.800 -0.000 0.000 2.535 55 G HA2 0.453 4.412 3.960 -0.001 0.000 0.282 55 G HA3 0.453 4.412 3.960 -0.001 0.000 0.282 55 G C -1.277 173.595 174.900 -0.047 0.000 1.350 55 G CA -1.545 43.532 45.100 -0.038 0.000 1.039 55 G HN 0.264 nan 8.290 nan 0.000 0.509 56 P HA -0.060 nan 4.420 nan 0.000 0.220 56 P C 1.733 178.950 177.300 -0.138 0.000 1.148 56 P CA 0.726 63.746 63.100 -0.132 0.000 0.803 56 P CB 0.191 31.795 31.700 -0.160 0.000 0.782 57 I N 0.230 120.757 120.570 -0.072 0.000 2.233 57 I HA -0.057 4.113 4.170 -0.001 0.000 0.243 57 I C 2.721 178.891 176.117 0.089 0.000 1.093 57 I CA 1.618 62.916 61.300 -0.004 0.000 1.380 57 I CB -2.326 35.703 38.000 0.047 0.000 1.067 57 I HN 0.001 nan 8.210 nan 0.000 0.413 58 G N 0.350 109.186 108.800 0.060 0.000 2.440 58 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.218 58 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.218 58 G C 1.767 176.690 174.900 0.037 0.000 1.154 58 G CA 1.050 46.187 45.100 0.062 0.000 0.767 58 G HN 0.415 nan 8.290 nan 0.000 0.552 59 C N 0.569 119.864 119.300 -0.008 0.000 2.432 59 C HA 0.046 4.505 4.460 -0.001 0.000 0.282 59 C C 3.173 178.079 174.990 -0.141 0.000 1.388 59 C CA 1.310 60.297 59.018 -0.053 0.000 1.777 59 C CB -0.972 26.775 27.740 0.012 0.000 1.882 59 C HN 0.448 nan 8.230 nan 0.000 0.520 60 T N 0.103 114.585 114.554 -0.121 0.000 2.674 60 T HA -0.159 4.191 4.350 -0.001 0.000 0.265 60 T C 1.465 176.028 174.700 -0.229 0.000 1.039 60 T CA 1.626 63.622 62.100 -0.174 0.000 1.150 60 T CB -0.442 68.321 68.868 -0.176 0.000 0.864 60 T HN 0.542 nan 8.240 nan 0.000 0.427 61 Y N 1.602 121.784 120.300 -0.198 0.000 2.114 61 Y HA -0.165 4.384 4.550 -0.001 0.000 0.282 61 Y C 2.762 178.472 175.900 -0.317 0.000 1.165 61 Y CA 1.177 59.138 58.100 -0.232 0.000 1.148 61 Y CB -0.769 37.570 38.460 -0.202 0.000 0.972 61 Y HN 0.209 nan 8.280 nan 0.000 0.504 62 A N 0.009 122.678 122.820 -0.253 0.000 1.877 62 A HA -0.231 4.089 4.320 -0.001 0.000 0.216 62 A C 2.292 179.327 177.584 -0.914 0.000 1.186 62 A CA 1.787 53.456 52.037 -0.613 0.000 0.620 62 A CB -0.801 17.676 19.000 -0.871 0.000 0.822 62 A HN 0.430 nan 8.150 nan 0.000 0.443 63 R N -0.291 119.715 120.500 -0.823 0.000 2.096 63 R HA -0.193 4.147 4.340 -0.001 0.000 0.240 63 R C 2.066 178.145 176.300 -0.368 0.000 1.139 63 R CA 1.955 57.719 56.100 -0.559 0.000 0.952 63 R CB -0.267 29.771 30.300 -0.437 0.000 0.854 63 R HN 0.627 nan 8.270 nan 0.000 0.436 64 E N 0.278 120.298 120.200 -0.300 0.000 2.047 64 E HA -0.168 4.182 4.350 -0.001 0.000 0.191 64 E C 2.179 178.714 176.600 -0.108 0.000 0.987 64 E CA 1.215 57.508 56.400 -0.178 0.000 0.799 64 E CB -0.094 29.504 29.700 -0.170 0.000 0.752 64 E HN 0.424 nan 8.360 nan 0.000 0.449 65 L N 0.501 121.643 121.223 -0.136 0.000 2.127 65 L HA -0.070 4.270 4.340 -0.001 0.000 0.203 65 L C 2.591 179.523 176.870 0.104 0.000 1.080 65 L CA 0.358 55.188 54.840 -0.018 0.000 0.768 65 L CB -0.434 41.508 42.059 -0.195 0.000 0.924 65 L HN -0.062 nan 8.230 nan 0.000 0.444 66 V N 0.764 120.637 119.914 -0.068 0.000 2.343 66 V HA -0.217 3.903 4.120 -0.001 0.000 0.247 66 V C 2.646 178.756 176.094 0.027 0.000 1.051 66 V CA 2.115 64.409 62.300 -0.010 0.000 1.036 66 V CB -1.274 30.457 31.823 -0.153 0.000 0.654 66 V HN 0.574 nan 8.190 nan 0.000 0.451 67 G N -0.650 108.132 108.800 -0.030 0.000 2.448 67 G HA2 -0.126 3.834 3.960 -0.001 0.000 0.219 67 G HA3 -0.126 3.834 3.960 -0.001 0.000 0.219 67 G C 1.460 176.369 174.900 0.015 0.000 1.127 67 G CA 0.879 45.974 45.100 -0.008 0.000 0.766 67 G HN 0.642 nan 8.290 nan 0.000 0.552 68 A N -0.720 122.135 122.820 0.058 0.000 2.275 68 A HA 0.508 4.827 4.320 -0.001 0.000 0.212 68 A C 1.825 179.381 177.584 -0.047 0.000 1.201 68 A CA 1.193 53.264 52.037 0.055 0.000 0.843 68 A CB -0.171 18.931 19.000 0.172 0.000 0.873 68 A HN 1.520 nan 8.150 nan 0.000 0.492 69 G N -2.159 106.633 108.800 -0.013 0.000 2.148 69 G HA2 -0.231 3.729 3.960 -0.001 0.000 0.203 69 G HA3 -0.231 3.729 3.960 -0.001 0.000 0.203 69 G C -0.114 174.713 174.900 -0.123 0.000 0.993 69 G CA -0.074 44.986 45.100 -0.067 0.000 0.661 69 G HN 0.359 nan 8.290 nan 0.000 0.518 70 Y N 0.412 120.737 120.300 0.041 0.000 2.336 70 Y HA 0.438 4.987 4.550 -0.001 0.000 0.331 70 Y C 1.105 177.047 175.900 0.071 0.000 1.211 70 Y CA 0.112 58.238 58.100 0.044 0.000 1.346 70 Y CB 0.776 39.242 38.460 0.009 0.000 1.271 70 Y HN 0.096 nan 8.280 nan 0.000 0.538 71 K N 2.735 123.272 120.400 0.227 0.000 2.262 71 K HA 0.379 4.699 4.320 -0.001 0.000 0.288 71 K C -1.587 175.152 176.600 0.233 0.000 1.090 71 K CA -0.139 56.270 56.287 0.204 0.000 0.918 71 K CB -0.083 32.504 32.500 0.145 0.000 1.139 71 K HN 0.477 nan 8.250 nan 0.000 0.462 72 V N 3.705 123.724 119.914 0.174 0.000 2.459 72 V HA 0.622 4.742 4.120 -0.001 0.000 0.295 72 V C 0.042 176.000 176.094 -0.226 0.000 1.029 72 V CA -0.746 61.579 62.300 0.041 0.000 0.874 72 V CB 1.195 33.093 31.823 0.125 0.000 0.985 72 V HN 0.930 nan 8.190 nan 0.000 0.438 76 D N 2.615 123.113 120.400 0.164 0.000 2.481 76 D HA 0.401 5.041 4.640 -0.001 0.000 0.244 76 D C 0.388 176.721 176.300 0.056 0.000 1.057 76 D CA -0.380 53.669 54.000 0.082 0.000 0.848 76 D CB 2.689 43.518 40.800 0.048 0.000 1.388 76 D HN 0.716 nan 8.370 nan 0.000 0.475 77 I N 1.663 122.218 120.570 -0.026 0.000 2.761 77 I HA 0.071 4.240 4.170 -0.001 0.000 0.261 77 I C 1.075 177.155 176.117 -0.063 0.000 1.198 77 I CA 0.578 61.814 61.300 -0.106 0.000 1.482 77 I CB 0.219 38.037 38.000 -0.303 0.000 1.100 77 I HN 0.306 nan 8.210 nan 0.000 0.445 78 G N -0.156 108.631 108.800 -0.022 0.000 2.613 78 G HA2 0.443 4.403 3.960 -0.001 0.000 0.303 78 G HA3 0.443 4.403 3.960 -0.001 0.000 0.303 78 G C -1.008 173.916 174.900 0.040 0.000 1.312 78 G CA -0.413 44.698 45.100 0.018 0.000 1.036 78 G HN 0.228 nan 8.290 nan 0.000 0.513 79 E N -1.337 118.892 120.200 0.049 0.000 2.281 79 E HA 0.387 4.737 4.350 -0.001 0.000 0.262 79 E C -0.409 176.220 176.600 0.048 0.000 0.933 79 E CA -0.746 55.684 56.400 0.050 0.000 0.809 79 E CB 2.521 32.254 29.700 0.054 0.000 1.242 79 E HN 0.273 nan 8.360 nan 0.000 0.418 80 I N 2.225 122.822 120.570 0.045 0.000 2.581 80 I HA -0.065 4.104 4.170 -0.001 0.000 0.285 80 I C 0.349 176.497 176.117 0.052 0.000 1.129 80 I CA 0.679 62.006 61.300 0.044 0.000 1.397 80 I CB 0.246 38.267 38.000 0.035 0.000 1.399 80 I HN 0.580 nan 8.210 nan 0.000 0.537 81 D N 2.314 122.750 120.400 0.061 0.000 3.194 81 D HA 0.002 4.641 4.640 -0.001 0.000 0.290 81 D C 1.210 177.563 176.300 0.088 0.000 1.280 81 D CA 0.592 54.635 54.000 0.072 0.000 1.058 81 D CB 0.381 41.225 40.800 0.074 0.000 1.241 81 D HN 0.444 nan 8.370 nan 0.000 0.421 82 S N 0.335 116.095 115.700 0.100 0.000 2.699 82 S HA 0.594 5.064 4.470 -0.001 0.000 0.251 82 S C 0.847 175.522 174.600 0.126 0.000 1.179 82 S CA 0.078 58.358 58.200 0.133 0.000 1.200 82 S CB -0.082 63.212 63.200 0.156 0.000 0.848 82 S HN 0.503 nan 8.310 nan 0.000 0.472 83 G N 1.071 109.930 108.800 0.099 0.000 2.582 83 G HA2 -0.182 3.778 3.960 -0.001 0.000 0.222 83 G HA3 -0.182 3.778 3.960 -0.001 0.000 0.222 83 G C 0.109 175.046 174.900 0.061 0.000 1.311 83 G CA -0.403 44.747 45.100 0.084 0.000 0.915 83 G HN 0.389 nan 8.290 nan 0.000 0.528 84 L N 0.025 121.277 121.223 0.050 0.000 2.291 84 L HA 0.116 4.455 4.340 -0.001 0.000 0.214 84 L C 1.518 178.401 176.870 0.023 0.000 1.120 84 L CA 0.940 55.798 54.840 0.030 0.000 0.799 84 L CB -0.334 41.738 42.059 0.021 0.000 0.925 84 L HN 0.324 nan 8.230 nan 0.000 0.446 85 K N 1.793 122.216 120.400 0.038 0.000 2.273 85 K HA 0.329 4.648 4.320 -0.001 0.000 0.287 85 K C -0.273 176.352 176.600 0.041 0.000 1.089 85 K CA -0.225 56.081 56.287 0.031 0.000 0.909 85 K CB 0.914 33.443 32.500 0.048 0.000 1.123 85 K HN 0.089 nan 8.250 nan 0.000 0.473 86 I N 1.954 122.532 120.570 0.013 0.000 2.598 86 I HA -0.035 4.134 4.170 -0.001 0.000 0.284 86 I C 1.317 177.454 176.117 0.034 0.000 1.140 86 I CA 0.574 61.887 61.300 0.021 0.000 1.420 86 I CB 0.418 38.420 38.000 0.003 0.000 1.387 86 I HN 0.937 nan 8.210 nan 0.000 0.553 87 G N 4.409 113.242 108.800 0.054 0.000 2.198 87 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.260 87 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.260 87 G C 0.268 175.221 174.900 0.090 0.000 1.025 87 G CA 0.135 45.272 45.100 0.061 0.000 0.769 87 G HN 0.970 nan 8.290 nan 0.000 0.507 88 A N -0.562 122.329 122.820 0.118 0.000 2.246 88 A HA 0.674 4.993 4.320 -0.001 0.000 0.291 88 A C 0.520 178.244 177.584 0.234 0.000 1.103 88 A CA -0.423 51.722 52.037 0.180 0.000 0.844 88 A CB 0.409 19.513 19.000 0.173 0.000 1.136 88 A HN 0.611 nan 8.150 nan 0.000 0.500 89 H N 0.307 119.515 119.070 0.229 0.000 2.767 89 H HA 0.142 4.697 4.556 -0.001 0.000 0.316 89 H C 0.662 176.134 175.328 0.240 0.000 1.059 89 H CA 0.621 56.823 56.048 0.257 0.000 1.461 89 H CB 0.947 30.882 29.762 0.288 0.000 1.475 89 H HN 0.682 nan 8.280 nan 0.000 0.531 90 K N 3.261 123.904 120.400 0.406 0.000 2.365 90 K HA -0.069 4.250 4.320 -0.001 0.000 0.199 90 K C 1.745 178.638 176.600 0.490 0.000 1.045 90 K CA 0.528 57.098 56.287 0.471 0.000 0.962 90 K CB 0.364 33.154 32.500 0.485 0.000 0.759 90 K HN 0.438 nan 8.250 nan 0.000 0.469 91 K N 0.882 121.453 120.400 0.285 0.000 2.432 91 K HA -0.010 4.310 4.320 -0.001 0.000 0.196 91 K C 0.265 176.915 176.600 0.084 0.000 1.038 91 K CA 0.418 56.554 56.287 -0.252 0.000 0.986 91 K CB 0.182 32.135 32.500 -0.912 0.000 0.782 91 K HN 0.051 nan 8.250 nan 0.000 0.485 92 N N 1.969 120.823 118.700 0.257 0.000 2.652 92 N HA -0.031 4.708 4.740 -0.001 0.000 0.259 92 N C -0.520 175.283 175.510 0.490 0.000 1.240 92 N CA 0.313 53.560 53.050 0.329 0.000 0.951 92 N CB 0.384 39.087 38.487 0.361 0.000 1.281 92 N HN 0.216 nan 8.380 nan 0.000 0.507 93 T N -4.621 110.188 114.554 0.425 0.000 2.912 93 T HA 0.359 4.708 4.350 -0.001 0.000 0.288 93 T C 1.448 176.392 174.700 0.407 0.000 1.030 93 T CA -0.796 61.527 62.100 0.372 0.000 1.020 93 T CB 1.637 70.655 68.868 0.250 0.000 1.056 93 T HN -0.192 nan 8.240 nan 0.000 0.480 94 V N 1.293 121.387 119.914 0.300 0.000 2.332 94 V HA -0.124 3.995 4.120 -0.001 0.000 0.248 94 V C 2.831 179.015 176.094 0.149 0.000 1.055 94 V CA 2.431 64.887 62.300 0.260 0.000 1.038 94 V CB -0.994 30.887 31.823 0.097 0.000 0.651 94 V HN 1.062 nan 8.190 nan 0.000 0.450 95 E N -0.284 119.938 120.200 0.037 0.000 2.097 95 E HA -0.243 4.106 4.350 -0.001 0.000 0.196 95 E C 1.985 178.528 176.600 -0.095 0.000 1.000 95 E CA 1.877 58.226 56.400 -0.085 0.000 0.804 95 E CB -0.349 29.224 29.700 -0.212 0.000 0.740 95 E HN 0.691 nan 8.360 nan 0.000 0.454 96 Y N 0.343 120.708 120.300 0.108 0.000 2.373 96 Y HA 0.032 4.582 4.550 -0.001 0.000 0.293 96 Y C 2.028 177.935 175.900 0.011 0.000 1.129 96 Y CA 1.051 59.196 58.100 0.074 0.000 1.226 96 Y CB -0.074 38.444 38.460 0.097 0.000 1.000 96 Y HN 0.164 nan 8.280 nan 0.000 0.549 97 Q N -0.469 119.426 119.800 0.159 0.000 2.451 97 Q HA -0.038 4.302 4.340 -0.001 0.000 0.206 97 Q C 1.506 177.555 176.000 0.081 0.000 0.947 97 Q CA 0.498 56.345 55.803 0.074 0.000 0.937 97 Q CB 0.177 28.894 28.738 -0.034 0.000 1.025 97 Q HN 0.412 nan 8.270 nan 0.000 0.511 98 K N -0.084 120.367 120.400 0.086 0.000 2.352 98 K HA 0.111 4.431 4.320 -0.001 0.000 0.194 98 K C 0.215 176.838 176.600 0.038 0.000 1.038 98 K CA 0.290 56.611 56.287 0.057 0.000 1.023 98 K CB 0.642 33.170 32.500 0.046 0.000 0.840 98 K HN 0.043 nan 8.250 nan 0.000 0.519 99 N N 1.198 119.930 118.700 0.054 0.000 2.703 99 N HA 0.054 4.794 4.740 -0.001 0.000 0.283 99 N C 0.089 175.637 175.510 0.064 0.000 1.851 99 N CA 0.043 53.119 53.050 0.043 0.000 0.826 99 N CB 1.049 39.560 38.487 0.039 0.000 1.239 99 N HN -0.010 nan 8.380 nan 0.000 0.495 100 I N 1.868 122.427 120.570 -0.018 0.000 2.700 100 I HA -0.204 3.966 4.170 -0.001 0.000 0.261 100 I C 1.902 177.753 176.117 -0.444 0.000 1.219 100 I CA 1.471 62.700 61.300 -0.118 0.000 1.463 100 I CB 0.014 37.960 38.000 -0.089 0.000 1.092 100 I HN 0.285 nan 8.210 nan 0.000 0.452 101 D N -0.100 119.983 120.400 -0.527 0.000 2.269 101 D HA -0.200 4.439 4.640 -0.001 0.000 0.208 101 D C 1.506 177.618 176.300 -0.313 0.000 0.963 101 D CA 0.872 54.385 54.000 -0.813 0.000 0.864 101 D CB -0.343 40.252 40.800 -0.342 0.000 0.936 101 D HN 0.331 nan 8.370 nan 0.000 0.505 102 K N -0.432 119.930 120.400 -0.063 0.000 2.361 102 K HA 0.009 4.329 4.320 -0.001 0.000 0.196 102 K C 1.689 178.342 176.600 0.089 0.000 1.039 102 K CA -0.177 56.165 56.287 0.091 0.000 1.001 102 K CB -0.260 32.377 32.500 0.230 0.000 0.795 102 K HN 0.140 nan 8.250 nan 0.000 0.495 103 F N 1.812 121.673 119.950 -0.148 0.000 2.333 103 F HA -0.160 4.367 4.527 -0.001 0.000 0.300 103 F C 2.075 177.788 175.800 -0.146 0.000 1.083 103 F CA 0.497 58.297 58.000 -0.333 0.000 1.395 103 F CB -0.146 38.621 39.000 -0.389 0.000 1.056 103 F HN -0.244 nan 8.300 nan 0.000 0.529 104 V N 0.949 120.847 119.914 -0.027 0.000 2.453 104 V HA -0.336 3.784 4.120 -0.001 0.000 0.252 104 V C 2.073 178.108 176.094 -0.099 0.000 1.068 104 V CA 2.591 64.895 62.300 0.006 0.000 1.070 104 V CB -0.524 31.328 31.823 0.048 0.000 0.664 104 V HN 0.422 nan 8.190 nan 0.000 0.461 105 N N 0.027 118.653 118.700 -0.123 0.000 2.142 105 N HA -0.108 4.631 4.740 -0.001 0.000 0.186 105 N C 1.787 177.181 175.510 -0.194 0.000 1.023 105 N CA 1.743 54.730 53.050 -0.106 0.000 0.852 105 N CB -0.419 38.044 38.487 -0.040 0.000 0.998 105 N HN 0.475 nan 8.380 nan 0.000 0.424 106 V N 2.255 121.941 119.914 -0.381 0.000 2.332 106 V HA -0.198 3.922 4.120 -0.001 0.000 0.248 106 V C 2.368 178.159 176.094 -0.505 0.000 1.055 106 V CA 1.280 63.271 62.300 -0.516 0.000 1.038 106 V CB -0.486 30.738 31.823 -0.997 0.000 0.651 106 V HN 0.195 nan 8.190 nan 0.000 0.450 107 I N -0.612 119.604 120.570 -0.589 0.000 2.179 107 I HA -0.248 3.921 4.170 -0.001 0.000 0.242 107 I C 2.722 178.669 176.117 -0.284 0.000 1.088 107 I CA 1.394 62.406 61.300 -0.481 0.000 1.357 107 I CB -0.462 37.341 38.000 -0.329 0.000 1.051 107 I HN 0.278 nan 8.210 nan 0.000 0.409 108 Q N 0.627 120.362 119.800 -0.108 0.000 2.170 108 Q HA -0.109 4.230 4.340 -0.001 0.000 0.203 108 Q C 2.227 178.194 176.000 -0.056 0.000 0.976 108 Q CA 1.579 57.367 55.803 -0.026 0.000 0.858 108 Q CB -0.529 28.217 28.738 0.013 0.000 0.907 108 Q HN 0.599 nan 8.270 nan 0.000 0.433 109 G N 0.829 109.578 108.800 -0.085 0.000 2.598 109 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.215 109 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.215 109 G C 0.947 175.825 174.900 -0.036 0.000 1.131 109 G CA 0.586 45.655 45.100 -0.053 0.000 0.785 109 G HN 0.493 nan 8.290 nan 0.000 0.539 110 Q N -0.681 119.082 119.800 -0.061 0.000 2.110 110 Q HA 0.470 4.809 4.340 -0.001 0.000 0.232 110 Q C 0.181 176.181 176.000 0.001 0.000 0.810 110 Q CA -0.314 55.485 55.803 -0.006 0.000 1.083 110 Q CB 0.213 28.971 28.738 0.034 0.000 1.193 110 Q HN 0.260 nan 8.270 nan 0.000 0.471 114 V N 1.535 121.497 119.914 0.079 0.000 2.358 114 V HA 0.089 4.208 4.120 -0.001 0.000 0.246 114 V C 1.091 177.189 176.094 0.008 0.000 1.047 114 V CA 1.740 64.077 62.300 0.060 0.000 1.035 114 V CB 0.149 32.036 31.823 0.106 0.000 0.658 114 V HN 0.812 nan 8.190 nan 0.000 0.452 115 S N -0.701 115.021 115.700 0.036 0.000 2.689 115 S HA 0.513 4.983 4.470 -0.001 0.000 0.274 115 S C -1.267 173.338 174.600 0.009 0.000 1.176 115 S CA -0.491 57.696 58.200 -0.020 0.000 1.014 115 S CB 1.565 64.710 63.200 -0.093 0.000 1.071 115 S HN -0.020 nan 8.310 nan 0.000 0.478 116 V N 7.554 127.460 119.914 -0.013 0.000 2.350 116 V HA 0.549 4.669 4.120 -0.001 0.000 0.285 116 V C -1.985 174.094 176.094 -0.025 0.000 1.014 116 V CA -1.804 60.489 62.300 -0.012 0.000 0.831 116 V CB 1.497 33.315 31.823 -0.009 0.000 1.000 116 V HN 0.737 nan 8.190 nan 0.000 0.433 117 P HA 0.053 nan 4.420 nan 0.000 0.270 117 P C -0.008 177.267 177.300 -0.040 0.000 1.227 117 P CA 0.045 63.126 63.100 -0.032 0.000 0.788 117 P CB 0.780 32.460 31.700 -0.033 0.000 0.926 118 V N 2.227 122.119 119.914 -0.037 0.000 2.673 118 V HA -0.025 4.094 4.120 -0.001 0.000 0.303 118 V C 1.244 177.284 176.094 -0.090 0.000 1.046 118 V CA 0.187 62.460 62.300 -0.045 0.000 1.126 118 V CB -0.462 31.356 31.823 -0.009 0.000 0.934 118 V HN 0.601 nan 8.190 nan 0.000 0.487 119 N N 3.479 122.118 118.700 -0.103 0.000 2.458 119 N HA 0.109 4.848 4.740 -0.001 0.000 0.270 119 N C 0.578 175.906 175.510 -0.304 0.000 1.102 119 N CA 0.297 53.259 53.050 -0.147 0.000 0.967 119 N CB 1.563 39.995 38.487 -0.091 0.000 1.078 119 N HN 0.854 nan 8.380 nan 0.000 0.471 120 T N 1.006 115.265 114.554 -0.491 0.000 3.228 120 T HA 0.191 4.541 4.350 -0.001 0.000 0.278 120 T C 0.550 174.775 174.700 -0.791 0.000 1.014 120 T CA -0.540 60.853 62.100 -1.178 0.000 0.904 120 T CB -0.017 68.237 68.868 -1.023 0.000 1.110 120 T HN 0.149 nan 8.240 nan 0.000 0.541 121 L N 2.537 123.569 121.223 -0.318 0.000 2.490 121 L HA 0.271 4.611 4.340 -0.001 0.000 0.274 121 L C 0.249 177.155 176.870 0.060 0.000 1.201 121 L CA -0.332 54.445 54.840 -0.105 0.000 0.869 121 L CB 0.603 42.636 42.059 -0.043 0.000 1.123 121 L HN 0.179 nan 8.230 nan 0.000 0.484 122 V N 5.184 125.159 119.914 0.102 0.000 2.364 122 V HA 0.239 4.359 4.120 -0.001 0.000 0.272 122 V C 0.134 176.298 176.094 0.117 0.000 1.036 122 V CA -0.612 61.804 62.300 0.193 0.000 0.880 122 V CB 1.520 33.439 31.823 0.159 0.000 0.991 122 V HN 0.431 nan 8.190 nan 0.000 0.460 123 V N 5.610 125.597 119.914 0.121 0.000 2.311 123 V HA 0.360 4.480 4.120 -0.001 0.000 0.275 123 V C 0.272 176.400 176.094 0.056 0.000 1.022 123 V CA -0.389 61.956 62.300 0.076 0.000 0.830 123 V CB 1.365 33.232 31.823 0.074 0.000 1.012 123 V HN 1.053 nan 8.190 nan 0.000 0.452 124 D N 2.093 122.518 120.400 0.041 0.000 2.571 124 D HA 0.004 4.643 4.640 -0.001 0.000 0.239 124 D C 1.083 177.394 176.300 0.019 0.000 1.267 124 D CA 0.218 54.233 54.000 0.025 0.000 0.823 124 D CB 0.400 41.213 40.800 0.022 0.000 1.056 124 D HN 0.545 nan 8.370 nan 0.000 0.494 125 T N -1.569 112.999 114.554 0.023 0.000 3.215 125 T HA 0.351 4.700 4.350 -0.001 0.000 0.271 125 T C 0.697 175.410 174.700 0.022 0.000 1.012 125 T CA -0.529 61.583 62.100 0.019 0.000 0.899 125 T CB -0.293 68.587 68.868 0.019 0.000 1.089 125 T HN 0.012 nan 8.240 nan 0.000 0.552 126 L N 1.751 122.989 121.223 0.025 0.000 2.452 126 L HA 0.359 4.699 4.340 -0.001 0.000 0.267 126 L C 1.109 177.992 176.870 0.022 0.000 1.188 126 L CA -0.663 54.195 54.840 0.030 0.000 0.821 126 L CB 0.436 42.518 42.059 0.039 0.000 1.102 126 L HN 0.186 nan 8.230 nan 0.000 0.470 127 S N 1.773 117.488 115.700 0.025 0.000 2.558 127 S HA 0.062 4.532 4.470 -0.001 0.000 0.288 127 S C -1.389 173.220 174.600 0.015 0.000 1.318 127 S CA -0.991 57.221 58.200 0.020 0.000 1.056 127 S CB 0.648 63.863 63.200 0.026 0.000 0.853 127 S HN 0.414 nan 8.310 nan 0.000 0.505 128 P HA -0.059 nan 4.420 nan 0.000 0.220 128 P C 1.270 178.572 177.300 0.003 0.000 1.144 128 P CA 0.986 64.084 63.100 -0.003 0.000 0.800 128 P CB 0.035 31.733 31.700 -0.004 0.000 0.772 129 T N -1.883 112.682 114.554 0.017 0.000 3.067 129 T HA 0.086 4.436 4.350 -0.001 0.000 0.261 129 T C 0.827 175.560 174.700 0.054 0.000 1.110 129 T CA 0.313 62.430 62.100 0.030 0.000 1.113 129 T CB -0.339 68.546 68.868 0.030 0.000 0.917 129 T HN 0.017 nan 8.240 nan 0.000 0.499 130 S N 0.951 116.686 115.700 0.059 0.000 2.545 130 S HA 0.259 4.728 4.470 -0.001 0.000 0.275 130 S C -0.728 173.957 174.600 0.142 0.000 1.299 130 S CA -0.800 57.463 58.200 0.106 0.000 1.048 130 S CB 0.362 63.620 63.200 0.097 0.000 0.938 130 S HN 0.547 nan 8.310 nan 0.000 0.496 131 W N 3.636 124.943 121.300 0.013 0.000 2.322 131 W HA 0.130 4.789 4.660 -0.001 0.000 0.328 131 W C 0.143 176.676 176.519 0.023 0.000 1.395 131 W CA 0.376 57.728 57.345 0.011 0.000 1.267 131 W CB 0.349 29.816 29.460 0.011 0.000 1.259 131 W HN 0.364 nan 8.180 nan 0.000 0.560 132 Q N 4.840 124.346 119.800 -0.490 0.000 2.304 132 Q HA 0.494 4.833 4.340 -0.001 0.000 0.270 132 Q C -0.358 175.026 176.000 -1.026 0.000 1.035 132 Q CA -0.595 54.918 55.803 -0.483 0.000 0.781 132 Q CB 1.927 30.532 28.738 -0.222 0.000 1.261 132 Q HN 0.617 nan 8.270 nan 0.000 0.444 133 A N 1.565 123.885 122.820 -0.834 0.000 2.346 133 A HA 0.351 4.670 4.320 -0.001 0.000 0.252 133 A C 0.911 178.318 177.584 -0.294 0.000 1.089 133 A CA 0.440 52.139 52.037 -0.564 0.000 0.797 133 A CB 0.298 19.277 19.000 -0.035 0.000 1.047 133 A HN 0.802 nan 8.150 nan 0.000 0.494 134 S N -1.113 114.447 115.700 -0.233 0.000 2.540 134 S HA 0.270 4.740 4.470 -0.001 0.000 0.218 134 S C 0.477 174.969 174.600 -0.181 0.000 0.977 134 S CA 0.589 58.668 58.200 -0.200 0.000 0.918 134 S CB -0.622 62.478 63.200 -0.167 0.000 0.806 134 S HN 1.432 nan 8.310 nan 0.000 0.496 135 T N -1.591 112.891 114.554 -0.121 0.000 2.864 135 T HA 0.644 4.993 4.350 -0.001 0.000 0.299 135 T C -0.772 173.888 174.700 -0.067 0.000 1.166 135 T CA -0.899 61.136 62.100 -0.107 0.000 1.007 135 T CB 0.531 69.432 68.868 0.055 0.000 1.219 135 T HN 0.068 nan 8.240 nan 0.000 0.506 136 F N 3.014 123.040 119.950 0.126 0.000 2.679 136 F HA 0.326 4.853 4.527 -0.001 0.000 0.351 136 F C 0.613 176.460 175.800 0.079 0.000 1.279 136 F CA -1.232 56.803 58.000 0.058 0.000 1.227 136 F CB -0.718 38.288 39.000 0.011 0.000 1.623 136 F HN 0.538 nan 8.300 nan 0.000 0.666 137 F N -0.659 119.390 119.950 0.166 0.000 2.399 137 F HA 0.530 5.057 4.527 -0.001 0.000 0.313 137 F C -0.039 175.836 175.800 0.124 0.000 1.202 137 F CA -1.515 56.562 58.000 0.128 0.000 1.192 137 F CB -0.010 39.056 39.000 0.110 0.000 1.256 137 F HN -0.189 nan 8.300 nan 0.000 0.558 138 V N 3.752 123.786 119.914 0.200 0.000 2.425 138 V HA 0.182 4.302 4.120 -0.001 0.000 0.276 138 V C 0.252 176.348 176.094 0.003 0.000 1.017 138 V CA -0.114 62.229 62.300 0.071 0.000 1.062 138 V CB -1.177 30.720 31.823 0.122 0.000 0.997 138 V HN 0.870 nan 8.190 nan 0.000 0.476 139 R N 3.440 123.851 120.500 -0.147 0.000 2.799 139 R HA 0.533 4.872 4.340 -0.001 0.000 0.270 139 R C -0.281 175.978 176.300 -0.068 0.000 1.010 139 R CA -0.994 55.029 56.100 -0.129 0.000 0.916 139 R CB 0.911 30.998 30.300 -0.355 0.000 1.228 139 R HN 0.415 nan 8.270 nan 0.000 0.469 140 N N -0.461 118.224 118.700 -0.026 0.000 2.747 140 N HA -0.174 4.565 4.740 -0.001 0.000 0.249 140 N C 0.735 176.238 175.510 -0.012 0.000 1.107 140 N CA 1.774 54.813 53.050 -0.018 0.000 0.707 140 N CB -1.274 37.195 38.487 -0.030 0.000 1.054 140 N HN 1.160 nan 8.380 nan 0.000 0.555 141 G N -2.253 106.545 108.800 -0.004 0.000 2.179 141 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.260 141 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.260 141 G C 0.280 175.178 174.900 -0.005 0.000 0.977 141 G CA 0.508 45.608 45.100 0.000 0.000 0.641 141 G HN 0.592 nan 8.290 nan 0.000 0.533 142 S N 0.025 115.717 115.700 -0.014 0.000 2.566 142 S HA 0.312 4.781 4.470 -0.001 0.000 0.280 142 S C 0.484 175.075 174.600 -0.014 0.000 1.343 142 S CA 0.255 58.443 58.200 -0.020 0.000 1.036 142 S CB 0.734 63.915 63.200 -0.031 0.000 0.866 142 S HN 0.585 nan 8.310 nan 0.000 0.526 143 N N 2.485 121.168 118.700 -0.027 0.000 2.501 143 N HA 0.335 5.075 4.740 -0.001 0.000 0.245 143 N C -1.827 173.668 175.510 -0.025 0.000 0.974 143 N CA -2.301 50.725 53.050 -0.040 0.000 0.941 143 N CB 1.336 39.772 38.487 -0.086 0.000 1.122 143 N HN 0.182 nan 8.380 nan 0.000 0.507 144 P HA -0.009 nan 4.420 nan 0.000 0.233 144 P C 0.297 177.620 177.300 0.038 0.000 1.167 144 P CA 0.764 63.881 63.100 0.029 0.000 0.770 144 P CB 0.581 32.313 31.700 0.054 0.000 0.837 145 E N -0.169 120.039 120.200 0.013 0.000 2.285 145 E HA -0.089 4.260 4.350 -0.001 0.000 0.194 145 E C 0.868 177.473 176.600 0.008 0.000 0.997 145 E CA 0.543 56.970 56.400 0.044 0.000 0.845 145 E CB -0.112 29.561 29.700 -0.045 0.000 0.782 145 E HN 0.287 nan 8.360 nan 0.000 0.491 146 Q N 2.350 122.119 119.800 -0.053 0.000 2.307 146 Q HA 0.017 4.357 4.340 -0.001 0.000 0.259 146 Q C -0.829 175.176 176.000 0.008 0.000 0.998 146 Q CA -0.154 55.619 55.803 -0.050 0.000 0.923 146 Q CB 0.682 29.376 28.738 -0.073 0.000 1.196 146 Q HN -0.179 nan 8.270 nan 0.000 0.416 147 D N 6.240 126.664 120.400 0.041 0.000 2.382 147 D HA 0.029 4.669 4.640 -0.001 0.000 0.259 147 D C -1.655 174.658 176.300 0.021 0.000 1.224 147 D CA -1.802 52.222 54.000 0.040 0.000 0.894 147 D CB 1.208 42.045 40.800 0.061 0.000 1.127 147 D HN 0.431 nan 8.370 nan 0.000 0.487 148 P HA -0.107 nan 4.420 nan 0.000 0.222 148 P C 1.353 178.651 177.300 -0.004 0.000 1.147 148 P CA 0.727 63.823 63.100 -0.007 0.000 0.790 148 P CB 0.315 32.000 31.700 -0.025 0.000 0.780 149 L N -1.220 120.003 121.223 0.000 0.000 2.591 149 L HA 0.132 4.472 4.340 -0.001 0.000 0.228 149 L C 1.668 178.538 176.870 -0.001 0.000 1.133 149 L CA 0.375 55.213 54.840 -0.003 0.000 0.880 149 L CB -0.267 41.788 42.059 -0.006 0.000 1.033 149 L HN -0.151 nan 8.230 nan 0.000 0.450 150 R N -0.269 120.240 120.500 0.016 0.000 2.727 150 R HA 0.200 4.540 4.340 -0.001 0.000 0.410 150 R C -0.344 175.994 176.300 0.064 0.000 1.101 150 R CA -0.270 55.846 56.100 0.027 0.000 1.045 150 R CB 0.256 30.579 30.300 0.039 0.000 1.380 150 R HN 0.063 nan 8.270 nan 0.000 0.587 151 N N 0.562 119.281 118.700 0.030 0.000 2.485 151 N HA 0.359 5.098 4.740 -0.001 0.000 0.280 151 N C -0.694 174.736 175.510 -0.133 0.000 1.205 151 N CA -0.570 52.490 53.050 0.018 0.000 0.959 151 N CB 1.118 39.615 38.487 0.017 0.000 1.206 151 N HN 0.076 nan 8.380 nan 0.000 0.545 152 L N 1.969 122.984 121.223 -0.348 0.000 2.504 152 L HA 0.221 4.560 4.340 -0.001 0.000 0.249 152 L C 1.365 178.070 176.870 -0.274 0.000 1.120 152 L CA -0.273 54.237 54.840 -0.550 0.000 0.997 152 L CB 0.499 41.817 42.059 -1.236 0.000 1.349 152 L HN 0.644 nan 8.230 nan 0.000 0.439 153 S N -0.443 115.185 115.700 -0.121 0.000 2.399 153 S HA -0.123 4.346 4.470 -0.001 0.000 0.231 153 S C 1.866 176.447 174.600 -0.032 0.000 1.022 153 S CA 1.038 59.213 58.200 -0.041 0.000 0.983 153 S CB -0.244 62.942 63.200 -0.023 0.000 0.803 153 S HN 0.620 nan 8.310 nan 0.000 0.480 154 G N 0.636 109.404 108.800 -0.052 0.000 2.598 154 G HA2 -0.001 3.959 3.960 -0.001 0.000 0.215 154 G HA3 -0.001 3.959 3.960 -0.001 0.000 0.215 154 G C 0.586 175.467 174.900 -0.032 0.000 1.131 154 G CA 0.046 45.131 45.100 -0.025 0.000 0.785 154 G HN 0.592 nan 8.290 nan 0.000 0.539 155 Q N 0.794 120.552 119.800 -0.070 0.000 2.311 155 Q HA 0.529 4.868 4.340 -0.001 0.000 0.272 155 Q C -0.222 175.804 176.000 0.043 0.000 1.012 155 Q CA 0.319 56.099 55.803 -0.038 0.000 0.891 155 Q CB 0.872 29.536 28.738 -0.124 0.000 1.201 155 Q HN 0.272 nan 8.270 nan 0.000 0.391 156 A N 3.095 125.943 122.820 0.047 0.000 2.594 156 A HA 0.782 5.101 4.320 -0.001 0.000 0.291 156 A C -1.338 176.293 177.584 0.077 0.000 1.105 156 A CA -0.187 51.886 52.037 0.059 0.000 0.694 156 A CB 1.327 20.348 19.000 0.035 0.000 1.291 156 A HN 0.993 nan 8.150 nan 0.000 0.410 157 V N -2.213 117.762 119.914 0.101 0.000 3.001 157 V HA 0.945 5.065 4.120 -0.001 0.000 0.314 157 V C -0.484 175.696 176.094 0.142 0.000 1.099 157 V CA -0.509 61.873 62.300 0.137 0.000 0.989 157 V CB 1.666 33.616 31.823 0.211 0.000 1.040 157 V HN 0.865 nan 8.190 nan 0.000 0.434 158 T N 2.857 117.497 114.554 0.144 0.000 2.847 158 T HA 0.533 4.883 4.350 -0.001 0.000 0.291 158 T C -0.373 174.383 174.700 0.094 0.000 0.998 158 T CA -0.477 61.699 62.100 0.128 0.000 0.967 158 T CB 0.930 69.896 68.868 0.162 0.000 0.954 158 T HN 0.778 nan 8.240 nan 0.000 0.441 159 R N 2.848 123.394 120.500 0.077 0.000 2.423 159 R HA 0.602 4.942 4.340 -0.001 0.000 0.293 159 R C -0.538 175.788 176.300 0.043 0.000 1.196 159 R CA -0.609 55.511 56.100 0.034 0.000 1.262 159 R CB 0.547 30.848 30.300 0.002 0.000 1.116 159 R HN 0.481 nan 8.270 nan 0.000 0.566 160 V N -2.011 117.926 119.914 0.039 0.000 3.178 160 V HA 0.415 4.534 4.120 -0.001 0.000 0.302 160 V C 0.078 176.192 176.094 0.033 0.000 1.262 160 V CA -1.246 61.079 62.300 0.043 0.000 1.030 160 V CB 1.865 33.721 31.823 0.055 0.000 1.074 160 V HN 0.126 nan 8.190 nan 0.000 0.438 161 V N 2.827 122.764 119.914 0.038 0.000 2.540 161 V HA 0.482 4.601 4.120 -0.001 0.000 0.297 161 V C 1.678 177.791 176.094 0.032 0.000 1.024 161 V CA 2.025 64.348 62.300 0.038 0.000 1.105 161 V CB 0.002 31.851 31.823 0.044 0.000 0.938 161 V HN 2.035 nan 8.190 nan 0.000 0.482 162 G N 3.426 112.239 108.800 0.021 0.000 2.213 162 G HA2 0.024 3.984 3.960 -0.001 0.000 0.236 162 G HA3 0.024 3.984 3.960 -0.001 0.000 0.236 162 G C 0.890 175.761 174.900 -0.048 0.000 0.991 162 G CA 0.047 45.147 45.100 -0.000 0.000 0.629 162 G HN 2.188 nan 8.290 nan 0.000 0.517 166 T N 0.138 114.552 114.554 -0.233 0.000 3.113 166 T HA 0.160 4.510 4.350 -0.001 0.000 0.256 166 T C 1.312 175.845 174.700 -0.278 0.000 1.131 166 T CA 1.114 63.113 62.100 -0.170 0.000 1.074 166 T CB -0.773 68.090 68.868 -0.008 0.000 0.944 166 T HN 0.872 nan 8.240 nan 0.000 0.516 167 H N -2.006 116.967 119.070 -0.162 0.000 3.771 167 H HA 0.196 4.752 4.556 -0.001 0.000 0.260 167 H C 0.686 176.176 175.328 0.270 0.000 1.158 167 H CA -0.958 55.139 56.048 0.081 0.000 1.170 167 H CB -0.434 29.364 29.762 0.060 0.000 1.539 167 H HN 0.461 nan 8.280 nan 0.000 0.634 168 W N 3.056 124.276 121.300 -0.134 0.000 1.979 168 W HA 0.258 4.917 4.660 -0.001 0.000 0.359 168 W C -0.061 176.551 176.519 0.155 0.000 1.354 168 W CA 0.173 57.558 57.345 0.067 0.000 1.359 168 W CB -0.242 29.200 29.460 -0.030 0.000 1.248 168 W HN -0.154 nan 8.180 nan 0.000 0.641 169 T N 0.665 115.186 114.554 -0.055 0.000 3.081 169 T HA 0.019 4.369 4.350 -0.001 0.000 0.255 169 T C 0.982 175.260 174.700 -0.703 0.000 1.113 169 T CA 0.969 62.874 62.100 -0.325 0.000 1.082 169 T CB -0.551 68.296 68.868 -0.036 0.000 0.939 169 T HN 0.650 nan 8.240 nan 0.000 0.506 170 C N 1.291 119.732 119.300 -1.433 0.000 4.465 170 C HA -0.111 4.349 4.460 -0.001 0.000 0.274 170 C C 1.124 175.625 174.990 -0.815 0.000 1.337 170 C CA -0.745 57.203 59.018 -1.783 0.000 1.822 170 C CB -2.795 24.409 27.740 -0.893 0.000 1.357 170 C HN 0.759 nan 8.230 nan 0.000 0.753 171 A N 1.135 123.672 122.820 -0.471 0.000 2.396 171 A HA 0.543 4.863 4.320 -0.001 0.000 0.279 171 A C 0.801 178.305 177.584 -0.133 0.000 1.165 171 A CA 1.075 52.997 52.037 -0.192 0.000 0.824 171 A CB 0.164 19.129 19.000 -0.059 0.000 1.100 171 A HN 1.295 nan 8.150 nan 0.000 0.516 172 T N 1.774 116.260 114.554 -0.114 0.000 3.427 172 T HA 0.515 4.865 4.350 -0.001 0.000 0.306 172 T C -2.704 171.939 174.700 -0.094 0.000 1.733 172 T CA -1.639 60.432 62.100 -0.049 0.000 1.599 172 T CB 0.378 69.250 68.868 0.006 0.000 0.964 172 T HN 0.442 nan 8.240 nan 0.000 0.701 173 P HA 0.380 nan 4.420 nan 0.000 0.277 173 P C -0.082 177.046 177.300 -0.287 0.000 1.240 173 P CA -0.656 62.331 63.100 -0.188 0.000 0.798 173 P CB 1.096 32.661 31.700 -0.225 0.000 0.979 174 R N 0.836 121.093 120.500 -0.404 0.000 2.531 174 R HA 0.406 4.746 4.340 -0.001 0.000 0.273 174 R C -0.001 176.163 176.300 -0.226 0.000 1.070 174 R CA -0.393 55.277 56.100 -0.717 0.000 1.112 174 R CB 0.219 29.974 30.300 -0.909 0.000 1.049 174 R HN 0.376 nan 8.270 nan 0.000 0.508 175 F N 1.694 121.421 119.950 -0.372 0.000 2.385 175 F HA 0.086 4.613 4.527 -0.001 0.000 0.336 175 F C 0.890 176.513 175.800 -0.294 0.000 1.100 175 F CA -1.669 56.129 58.000 -0.336 0.000 1.116 175 F CB 0.522 39.305 39.000 -0.362 0.000 1.166 175 F HN 0.545 nan 8.300 nan 0.000 0.511 176 D N 2.255 122.601 120.400 -0.089 0.000 2.411 176 D HA 0.135 4.774 4.640 -0.001 0.000 0.251 176 D C 1.114 177.344 176.300 -0.116 0.000 1.201 176 D CA -0.415 53.535 54.000 -0.084 0.000 0.996 176 D CB 0.594 41.367 40.800 -0.044 0.000 1.101 176 D HN 0.468 nan 8.370 nan 0.000 0.504 177 R N -0.376 120.080 120.500 -0.072 0.000 2.134 177 R HA -0.259 4.081 4.340 -0.001 0.000 0.248 177 R C 2.002 178.263 176.300 -0.065 0.000 1.143 177 R CA 2.310 58.375 56.100 -0.058 0.000 0.957 177 R CB -0.400 29.899 30.300 -0.002 0.000 0.867 177 R HN 0.705 nan 8.270 nan 0.000 0.441 178 E N 0.590 120.759 120.200 -0.053 0.000 2.265 178 E HA -0.202 4.147 4.350 -0.001 0.000 0.196 178 E C 1.493 178.011 176.600 -0.135 0.000 0.996 178 E CA 1.326 57.708 56.400 -0.031 0.000 0.832 178 E CB 0.188 29.936 29.700 0.080 0.000 0.756 178 E HN 0.419 nan 8.360 nan 0.000 0.491 179 Q N -0.346 119.275 119.800 -0.299 0.000 2.378 179 Q HA 0.113 4.453 4.340 -0.001 0.000 0.216 179 Q C -0.008 175.869 176.000 -0.206 0.000 0.892 179 Q CA 0.035 55.575 55.803 -0.439 0.000 0.931 179 Q CB 0.583 28.748 28.738 -0.954 0.000 1.086 179 Q HN 0.165 nan 8.270 nan 0.000 0.528 180 R N 1.390 121.813 120.500 -0.127 0.000 2.540 180 R HA 0.477 4.817 4.340 -0.001 0.000 0.287 180 R C -2.677 173.615 176.300 -0.014 0.000 0.980 180 R CA -2.113 53.920 56.100 -0.110 0.000 0.966 180 R CB -0.111 29.850 30.300 -0.565 0.000 1.106 180 R HN -0.250 nan 8.270 nan 0.000 0.480 181 P HA -0.010 nan 4.420 nan 0.000 0.269 181 P C -0.639 176.850 177.300 0.315 0.000 1.209 181 P CA -0.488 62.721 63.100 0.181 0.000 0.776 181 P CB 0.481 32.288 31.700 0.179 0.000 0.876 182 L N 2.544 123.919 121.223 0.253 0.000 2.453 182 L HA 0.062 4.402 4.340 -0.001 0.000 0.272 182 L C 1.543 178.571 176.870 0.263 0.000 1.182 182 L CA 0.517 55.561 54.840 0.340 0.000 0.858 182 L CB -0.373 41.916 42.059 0.384 0.000 1.120 182 L HN 0.392 nan 8.230 nan 0.000 0.474 183 L N 3.427 124.810 121.223 0.267 0.000 2.515 183 L HA 0.231 4.571 4.340 -0.001 0.000 0.223 183 L C -0.316 176.712 176.870 0.264 0.000 1.079 183 L CA 0.132 55.008 54.840 0.060 0.000 0.857 183 L CB 0.421 42.282 42.059 -0.330 0.000 1.050 183 L HN 0.304 nan 8.230 nan 0.000 0.476 184 V N 0.008 120.094 119.914 0.286 0.000 2.577 184 V HA 0.282 4.401 4.120 -0.001 0.000 0.303 184 V C -0.158 176.023 176.094 0.145 0.000 1.042 184 V CA -1.094 61.322 62.300 0.194 0.000 0.872 184 V CB 2.079 33.952 31.823 0.084 0.000 0.998 184 V HN 0.015 nan 8.190 nan 0.000 0.423 185 K N 2.509 122.871 120.400 -0.063 0.000 2.298 185 K HA 0.182 4.502 4.320 -0.001 0.000 0.280 185 K C 0.056 176.625 176.600 -0.053 0.000 1.032 185 K CA 0.064 56.269 56.287 -0.137 0.000 0.958 185 K CB 0.355 32.606 32.500 -0.414 0.000 0.978 185 K HN 0.866 nan 8.250 nan 0.000 0.472 186 D N 2.173 122.567 120.400 -0.010 0.000 2.723 186 D HA -0.201 4.438 4.640 -0.001 0.000 0.236 186 D C -0.673 175.634 176.300 0.012 0.000 1.138 186 D CA 1.117 55.117 54.000 -0.000 0.000 0.676 186 D CB -0.454 40.332 40.800 -0.023 0.000 1.069 186 D HN 0.560 nan 8.370 nan 0.000 0.430 187 D N -1.230 119.190 120.400 0.032 0.000 2.826 187 D HA 0.326 4.966 4.640 -0.001 0.000 0.239 187 D C 0.990 177.325 176.300 0.059 0.000 1.329 187 D CA 0.234 54.256 54.000 0.037 0.000 0.854 187 D CB 0.263 41.079 40.800 0.026 0.000 1.494 187 D HN 0.036 nan 8.370 nan 0.000 0.540 188 A N 1.664 124.522 122.820 0.062 0.000 1.948 188 A HA -0.204 4.116 4.320 -0.001 0.000 0.220 188 A C 1.669 179.303 177.584 0.084 0.000 1.177 188 A CA 1.584 53.669 52.037 0.079 0.000 0.636 188 A CB -0.022 19.017 19.000 0.065 0.000 0.815 188 A HN 0.458 nan 8.150 nan 0.000 0.449 189 D N -0.105 120.333 120.400 0.064 0.000 2.123 189 D HA -0.002 4.638 4.640 -0.001 0.000 0.200 189 D C 2.254 178.592 176.300 0.063 0.000 0.976 189 D CA 1.389 55.425 54.000 0.060 0.000 0.831 189 D CB -0.398 40.428 40.800 0.044 0.000 0.974 189 D HN 0.452 nan 8.370 nan 0.000 0.469 190 A N 1.107 123.960 122.820 0.054 0.000 1.930 190 A HA -0.202 4.118 4.320 -0.001 0.000 0.217 190 A C 1.945 179.565 177.584 0.061 0.000 1.175 190 A CA 1.906 53.971 52.037 0.046 0.000 0.627 190 A CB -0.571 18.447 19.000 0.031 0.000 0.815 190 A HN 0.149 nan 8.150 nan 0.000 0.443 191 D N -0.289 120.170 120.400 0.098 0.000 2.117 191 D HA -0.165 4.474 4.640 -0.001 0.000 0.197 191 D C 1.304 177.750 176.300 0.244 0.000 0.987 191 D CA 1.547 55.644 54.000 0.162 0.000 0.829 191 D CB -0.087 40.845 40.800 0.220 0.000 0.961 191 D HN 0.345 nan 8.370 nan 0.000 0.460 192 D N -0.271 120.251 120.400 0.203 0.000 2.104 192 D HA -0.143 4.497 4.640 -0.001 0.000 0.194 192 D C 1.978 178.384 176.300 0.177 0.000 0.994 192 D CA 1.546 55.670 54.000 0.206 0.000 0.830 192 D CB -0.584 40.295 40.800 0.132 0.000 0.959 192 D HN 0.321 nan 8.370 nan 0.000 0.452 193 A N 0.388 123.272 122.820 0.106 0.000 1.969 193 A HA -0.168 4.152 4.320 -0.001 0.000 0.218 193 A C 2.095 179.702 177.584 0.038 0.000 1.169 193 A CA 1.779 53.857 52.037 0.068 0.000 0.635 193 A CB -0.386 18.638 19.000 0.041 0.000 0.810 193 A HN 0.184 nan 8.150 nan 0.000 0.445 194 E N -0.953 119.249 120.200 0.003 0.000 2.046 194 E HA -0.149 4.201 4.350 -0.001 0.000 0.190 194 E C 1.661 178.155 176.600 -0.177 0.000 0.982 194 E CA 1.218 57.546 56.400 -0.120 0.000 0.800 194 E CB -0.440 29.140 29.700 -0.201 0.000 0.756 194 E HN 0.705 nan 8.360 nan 0.000 0.449 195 W N 0.893 122.148 121.300 -0.075 0.000 2.338 195 W HA -0.137 4.523 4.660 -0.001 0.000 0.304 195 W C 2.135 178.626 176.519 -0.046 0.000 1.212 195 W CA 1.270 58.524 57.345 -0.151 0.000 1.264 195 W CB -0.366 29.050 29.460 -0.073 0.000 1.142 195 W HN 0.254 nan 8.180 nan 0.000 0.512 196 D N -0.032 120.537 120.400 0.282 0.000 2.117 196 D HA -0.223 4.416 4.640 -0.001 0.000 0.197 196 D C 2.168 178.546 176.300 0.130 0.000 0.987 196 D CA 1.583 55.721 54.000 0.230 0.000 0.829 196 D CB -0.230 40.661 40.800 0.153 0.000 0.961 196 D HN -0.046 nan 8.370 nan 0.000 0.460 197 R N -0.217 120.310 120.500 0.044 0.000 2.083 197 R HA -0.114 4.226 4.340 -0.001 0.000 0.237 197 R C 2.429 178.695 176.300 -0.056 0.000 1.137 197 R CA 1.265 57.357 56.100 -0.014 0.000 0.951 197 R CB -0.341 29.931 30.300 -0.046 0.000 0.851 197 R HN 0.274 nan 8.270 nan 0.000 0.434 198 L N -0.553 120.601 121.223 -0.116 0.000 2.046 198 L HA -0.185 4.154 4.340 -0.001 0.000 0.208 198 L C 2.389 179.201 176.870 -0.097 0.000 1.077 198 L CA 1.176 55.903 54.840 -0.187 0.000 0.747 198 L CB -0.671 41.182 42.059 -0.344 0.000 0.896 198 L HN 0.188 nan 8.230 nan 0.000 0.432 199 Y N 0.473 120.774 120.300 0.001 0.000 2.181 199 Y HA -0.233 4.317 4.550 -0.001 0.000 0.288 199 Y C 2.910 178.778 175.900 -0.052 0.000 1.146 199 Y CA 1.474 59.571 58.100 -0.004 0.000 1.164 199 Y CB -1.159 37.325 38.460 0.040 0.000 0.982 199 Y HN 0.124 nan 8.280 nan 0.000 0.515 200 T N -0.180 114.444 114.554 0.116 0.000 2.720 200 T HA -0.197 4.152 4.350 -0.001 0.000 0.268 200 T C 2.030 176.693 174.700 -0.062 0.000 1.037 200 T CA 1.548 63.666 62.100 0.029 0.000 1.144 200 T CB -0.126 68.755 68.868 0.021 0.000 0.864 200 T HN 0.237 nan 8.240 nan 0.000 0.444 201 K N 0.608 120.918 120.400 -0.151 0.000 2.001 201 K HA 0.005 4.325 4.320 -0.001 0.000 0.208 201 K C 2.678 178.905 176.600 -0.622 0.000 1.048 201 K CA 1.163 57.223 56.287 -0.378 0.000 0.932 201 K CB -0.345 31.912 32.500 -0.406 0.000 0.715 201 K HN 0.279 nan 8.250 nan 0.000 0.437 202 A N 1.664 124.239 122.820 -0.408 0.000 1.883 202 A HA -0.240 4.080 4.320 -0.001 0.000 0.217 202 A C 1.885 179.439 177.584 -0.050 0.000 1.186 202 A CA 1.838 53.702 52.037 -0.288 0.000 0.624 202 A CB -0.534 18.427 19.000 -0.065 0.000 0.822 202 A HN 0.388 nan 8.150 nan 0.000 0.444 203 E N -0.600 119.626 120.200 0.043 0.000 2.110 203 E HA -0.154 4.195 4.350 -0.001 0.000 0.193 203 E C 2.275 178.948 176.600 0.122 0.000 0.988 203 E CA 1.236 57.712 56.400 0.127 0.000 0.804 203 E CB -0.179 29.567 29.700 0.077 0.000 0.745 203 E HN 0.634 nan 8.360 nan 0.000 0.458 204 S N -0.291 115.429 115.700 0.033 0.000 2.368 204 S HA -0.151 4.319 4.470 -0.001 0.000 0.224 204 S C 1.825 176.562 174.600 0.228 0.000 1.029 204 S CA 0.835 59.087 58.200 0.088 0.000 0.988 204 S CB -0.193 63.032 63.200 0.042 0.000 0.838 204 S HN 0.256 nan 8.310 nan 0.000 0.462 205 Y N 0.289 120.623 120.300 0.057 0.000 2.224 205 Y HA 0.103 4.653 4.550 -0.001 0.000 0.289 205 Y C 2.024 178.000 175.900 0.127 0.000 1.146 205 Y CA 0.054 58.169 58.100 0.026 0.000 1.182 205 Y CB -1.140 37.263 38.460 -0.095 0.000 0.983 205 Y HN 0.395 nan 8.280 nan 0.000 0.524 206 F N 0.178 120.268 119.950 0.233 0.000 2.743 206 F HA -0.037 4.490 4.527 -0.001 0.000 0.297 206 F C 0.507 176.412 175.800 0.175 0.000 1.131 206 F CA -0.011 58.120 58.000 0.219 0.000 1.426 206 F CB 0.309 39.446 39.000 0.229 0.000 1.116 206 F HN -0.060 nan 8.300 nan 0.000 0.583 207 Q N 0.882 120.872 119.800 0.318 0.000 2.468 207 Q HA -0.178 4.162 4.340 -0.001 0.000 0.289 207 Q C -0.114 175.958 176.000 0.121 0.000 1.299 207 Q CA 0.717 56.626 55.803 0.177 0.000 0.838 207 Q CB -2.590 26.231 28.738 0.138 0.000 1.195 207 Q HN 0.167 nan 8.270 nan 0.000 0.456 208 T N 0.124 114.760 114.554 0.138 0.000 2.888 208 T HA 0.466 4.815 4.350 -0.001 0.000 0.301 208 T C 0.756 175.476 174.700 0.033 0.000 1.001 208 T CA 0.580 62.720 62.100 0.068 0.000 1.147 208 T CB 1.256 70.175 68.868 0.084 0.000 0.931 208 T HN 0.473 nan 8.240 nan 0.000 0.541 209 G N 0.895 109.698 108.800 0.005 0.000 2.725 209 G HA2 0.550 4.510 3.960 -0.001 0.000 0.288 209 G HA3 0.550 4.510 3.960 -0.001 0.000 0.288 209 G C 0.225 175.127 174.900 0.003 0.000 1.399 209 G CA -0.632 44.467 45.100 -0.002 0.000 0.859 209 G HN 0.592 nan 8.290 nan 0.000 0.479 210 T N -2.863 111.697 114.554 0.010 0.000 3.200 210 T HA 0.336 4.686 4.350 -0.001 0.000 0.284 210 T C -0.101 174.621 174.700 0.036 0.000 1.009 210 T CA -0.027 62.091 62.100 0.031 0.000 0.907 210 T CB 0.608 69.499 68.868 0.039 0.000 1.120 210 T HN 0.322 nan 8.240 nan 0.000 0.534 211 D N 0.939 121.340 120.400 0.000 0.000 2.503 211 D HA 0.111 4.751 4.640 -0.001 0.000 0.218 211 D C 1.176 177.416 176.300 -0.099 0.000 1.183 211 D CA 0.158 54.142 54.000 -0.027 0.000 0.827 211 D CB 0.816 41.597 40.800 -0.032 0.000 1.034 211 D HN 0.330 nan 8.370 nan 0.000 0.510 212 Q N -0.538 119.193 119.800 -0.114 0.000 2.291 212 Q HA -0.019 4.320 4.340 -0.001 0.000 0.205 212 Q C 0.737 176.400 176.000 -0.563 0.000 0.970 212 Q CA 0.959 56.571 55.803 -0.319 0.000 0.876 212 Q CB -0.036 28.489 28.738 -0.355 0.000 0.935 212 Q HN 0.219 nan 8.270 nan 0.000 0.455 213 F N 0.172 119.955 119.950 -0.279 0.000 2.708 213 F HA 0.224 4.750 4.527 -0.001 0.000 0.300 213 F C 1.282 176.914 175.800 -0.281 0.000 1.118 213 F CA -0.499 57.290 58.000 -0.352 0.000 1.307 213 F CB 0.302 38.963 39.000 -0.565 0.000 0.986 213 F HN 0.005 nan 8.300 nan 0.000 0.522 214 K N 0.388 120.715 120.400 -0.122 0.000 2.362 214 K HA -0.078 4.241 4.320 -0.001 0.000 0.200 214 K C 0.541 176.959 176.600 -0.303 0.000 1.046 214 K CA 1.524 57.769 56.287 -0.070 0.000 0.952 214 K CB -0.088 32.364 32.500 -0.080 0.000 0.753 214 K HN 0.318 nan 8.250 nan 0.000 0.466 215 E N 1.540 121.426 120.200 -0.522 0.000 2.585 215 E HA 0.056 4.406 4.350 -0.001 0.000 0.206 215 E C -0.899 175.429 176.600 -0.454 0.000 1.007 215 E CA -0.260 55.485 56.400 -1.092 0.000 1.028 215 E CB 1.096 30.182 29.700 -1.024 0.000 1.087 215 E HN 0.185 nan 8.360 nan 0.000 0.455 216 S N 0.744 116.403 115.700 -0.068 0.000 2.438 216 S HA 0.257 4.727 4.470 -0.001 0.000 0.293 216 S C 1.144 175.883 174.600 0.231 0.000 1.141 216 S CA -0.505 57.767 58.200 0.120 0.000 1.080 216 S CB 0.545 63.871 63.200 0.209 0.000 0.978 216 S HN 0.204 nan 8.310 nan 0.000 0.479 217 I N 4.950 125.535 120.570 0.026 0.000 2.142 217 I HA -0.182 3.987 4.170 -0.001 0.000 0.240 217 I C 2.745 178.700 176.117 -0.270 0.000 1.078 217 I CA 1.253 62.299 61.300 -0.423 0.000 1.343 217 I CB -0.218 37.282 38.000 -0.833 0.000 1.046 217 I HN 0.693 nan 8.210 nan 0.000 0.405 218 R N -0.534 119.890 120.500 -0.127 0.000 2.091 218 R HA -0.255 4.085 4.340 -0.001 0.000 0.238 218 R C 2.375 178.703 176.300 0.047 0.000 1.136 218 R CA 1.953 58.025 56.100 -0.047 0.000 0.959 218 R CB -0.745 29.546 30.300 -0.015 0.000 0.856 218 R HN 0.450 nan 8.270 nan 0.000 0.437 219 H N 1.086 120.175 119.070 0.031 0.000 2.290 219 H HA -0.066 4.489 4.556 -0.001 0.000 0.298 219 H C 1.786 177.182 175.328 0.112 0.000 1.087 219 H CA 1.979 58.066 56.048 0.065 0.000 1.291 219 H CB -0.141 29.693 29.762 0.120 0.000 1.369 219 H HN 0.128 nan 8.280 nan 0.000 0.492 220 N N -0.012 118.785 118.700 0.161 0.000 2.270 220 N HA -0.118 4.622 4.740 -0.001 0.000 0.181 220 N C 1.986 177.628 175.510 0.220 0.000 1.016 220 N CA 0.898 54.077 53.050 0.215 0.000 0.870 220 N CB -0.142 38.679 38.487 0.557 0.000 0.979 220 N HN 0.292 nan 8.380 nan 0.000 0.431 221 L N 1.296 122.649 121.223 0.216 0.000 1.989 221 L HA -0.122 4.217 4.340 -0.001 0.000 0.211 221 L C 2.182 179.097 176.870 0.074 0.000 1.071 221 L CA 1.441 56.407 54.840 0.210 0.000 0.749 221 L CB -0.703 41.417 42.059 0.102 0.000 0.890 221 L HN -0.131 nan 8.230 nan 0.000 0.431 222 V N -0.629 119.282 119.914 -0.005 0.000 2.307 222 V HA -0.230 3.890 4.120 -0.001 0.000 0.245 222 V C 2.398 178.413 176.094 -0.132 0.000 1.045 222 V CA 1.486 63.752 62.300 -0.057 0.000 1.024 222 V CB -0.760 31.009 31.823 -0.090 0.000 0.651 222 V HN 0.480 nan 8.190 nan 0.000 0.449 223 L N 1.313 122.426 121.223 -0.183 0.000 1.994 223 L HA -0.177 4.162 4.340 -0.001 0.000 0.208 223 L C 2.157 178.944 176.870 -0.138 0.000 1.071 223 L CA 2.532 57.248 54.840 -0.208 0.000 0.745 223 L CB -1.768 40.133 42.059 -0.265 0.000 0.892 223 L HN 0.480 nan 8.230 nan 0.000 0.431 224 N N -0.257 118.418 118.700 -0.041 0.000 2.104 224 N HA -0.277 4.463 4.740 -0.001 0.000 0.190 224 N C 1.903 177.395 175.510 -0.030 0.000 1.024 224 N CA 1.723 54.772 53.050 -0.001 0.000 0.853 224 N CB -0.145 38.377 38.487 0.059 0.000 1.008 224 N HN 0.268 nan 8.380 nan 0.000 0.424 225 K N 0.474 120.854 120.400 -0.033 0.000 2.026 225 K HA -0.001 4.319 4.320 -0.001 0.000 0.208 225 K C 1.889 178.441 176.600 -0.080 0.000 1.048 225 K CA 1.288 57.555 56.287 -0.032 0.000 0.929 225 K CB -0.493 32.006 32.500 -0.002 0.000 0.713 225 K HN 0.276 nan 8.250 nan 0.000 0.439 226 L N -0.081 121.015 121.223 -0.212 0.000 2.093 226 L HA -0.077 4.262 4.340 -0.001 0.000 0.208 226 L C 2.477 179.139 176.870 -0.347 0.000 1.085 226 L CA 1.115 55.709 54.840 -0.410 0.000 0.755 226 L CB -0.689 40.735 42.059 -1.059 0.000 0.904 226 L HN 0.285 nan 8.230 nan 0.000 0.435 227 A N -0.083 122.573 122.820 -0.274 0.000 1.908 227 A HA -0.238 4.082 4.320 -0.001 0.000 0.218 227 A C 2.151 179.801 177.584 0.109 0.000 1.181 227 A CA 1.818 53.903 52.037 0.079 0.000 0.627 227 A CB -0.372 18.682 19.000 0.089 0.000 0.818 227 A HN 0.310 nan 8.150 nan 0.000 0.445 228 E N 0.001 120.221 120.200 0.033 0.000 2.047 228 E HA -0.102 4.248 4.350 -0.001 0.000 0.191 228 E C 2.049 178.655 176.600 0.011 0.000 0.987 228 E CA 1.078 57.491 56.400 0.022 0.000 0.799 228 E CB -0.299 29.397 29.700 -0.008 0.000 0.752 228 E HN 0.562 nan 8.360 nan 0.000 0.449 229 E N -0.605 119.586 120.200 -0.015 0.000 2.204 229 E HA -0.147 4.203 4.350 -0.001 0.000 0.195 229 E C 0.750 177.182 176.600 -0.280 0.000 0.990 229 E CA 0.859 57.165 56.400 -0.157 0.000 0.821 229 E CB -0.039 29.540 29.700 -0.203 0.000 0.750 229 E HN 0.435 nan 8.360 nan 0.000 0.477 230 Y N -0.042 120.312 120.300 0.090 0.000 2.660 230 Y HA 0.174 4.724 4.550 -0.001 0.000 0.254 230 Y C 0.344 176.313 175.900 0.116 0.000 1.176 230 Y CA -0.850 57.333 58.100 0.138 0.000 1.195 230 Y CB 0.454 39.080 38.460 0.276 0.000 1.190 230 Y HN -0.265 nan 8.280 nan 0.000 0.535 231 K N 1.343 121.848 120.400 0.175 0.000 2.434 231 K HA 0.024 4.343 4.320 -0.001 0.000 0.266 231 K C 1.204 177.866 176.600 0.103 0.000 1.096 231 K CA 1.355 57.712 56.287 0.117 0.000 1.182 231 K CB -0.562 31.974 32.500 0.059 0.000 0.813 231 K HN 0.605 nan 8.250 nan 0.000 0.490 232 G N 3.186 112.047 108.800 0.102 0.000 2.148 232 G HA2 -0.323 3.636 3.960 -0.001 0.000 0.254 232 G HA3 -0.323 3.636 3.960 -0.001 0.000 0.254 232 G C 0.570 175.525 174.900 0.092 0.000 0.981 232 G CA 0.796 45.944 45.100 0.080 0.000 0.670 232 G HN 0.674 nan 8.290 nan 0.000 0.528 233 Q N -1.734 118.146 119.800 0.134 0.000 2.519 233 Q HA 0.269 4.609 4.340 -0.001 0.000 0.248 233 Q C 1.091 177.157 176.000 0.111 0.000 0.804 233 Q CA 0.067 55.954 55.803 0.139 0.000 0.979 233 Q CB 1.012 29.874 28.738 0.207 0.000 1.282 233 Q HN 0.462 nan 8.270 nan 0.000 0.558 234 R N 0.590 121.159 120.500 0.114 0.000 2.698 234 R HA 0.375 4.714 4.340 -0.001 0.000 0.275 234 R C -1.639 174.647 176.300 -0.022 0.000 1.001 234 R CA -0.686 55.378 56.100 -0.061 0.000 0.896 234 R CB 1.810 31.877 30.300 -0.389 0.000 1.218 234 R HN -0.014 nan 8.270 nan 0.000 0.462 235 D N 1.872 122.198 120.400 -0.124 0.000 2.168 235 D HA 0.370 5.009 4.640 -0.001 0.000 0.246 235 D C -0.666 175.478 176.300 -0.260 0.000 1.050 235 D CA 0.138 54.106 54.000 -0.053 0.000 0.857 235 D CB 1.251 42.040 40.800 -0.019 0.000 1.169 235 D HN 0.151 nan 8.370 nan 0.000 0.453 236 F N 0.785 120.744 119.950 0.016 0.000 2.522 236 F HA 0.361 4.888 4.527 -0.001 0.000 0.324 236 F C 0.621 176.435 175.800 0.023 0.000 1.077 236 F CA -0.606 57.397 58.000 0.005 0.000 0.944 236 F CB 1.859 40.858 39.000 -0.002 0.000 1.175 236 F HN 0.221 nan 8.300 nan 0.000 0.468 237 Q N 0.116 120.037 119.800 0.202 0.000 2.737 237 Q HA 0.327 4.667 4.340 -0.001 0.000 0.307 237 Q C -1.581 174.525 176.000 0.177 0.000 0.905 237 Q CA -1.300 54.598 55.803 0.158 0.000 0.753 237 Q CB 1.684 30.483 28.738 0.102 0.000 1.463 237 Q HN 0.609 nan 8.270 nan 0.000 0.455 238 Q N 0.983 120.909 119.800 0.210 0.000 2.337 238 Q HA 0.225 4.565 4.340 -0.001 0.000 0.270 238 Q C -0.514 175.554 176.000 0.113 0.000 1.002 238 Q CA -0.208 55.733 55.803 0.230 0.000 0.888 238 Q CB 0.494 29.351 28.738 0.198 0.000 1.222 238 Q HN 0.578 nan 8.270 nan 0.000 0.400 239 I N 6.701 127.315 120.570 0.074 0.000 2.821 239 I HA -0.072 4.098 4.170 -0.001 0.000 0.294 239 I C -1.966 174.163 176.117 0.020 0.000 1.210 239 I CA -1.324 59.996 61.300 0.034 0.000 1.430 239 I CB 0.032 38.021 38.000 -0.017 0.000 1.356 239 I HN 0.438 nan 8.210 nan 0.000 0.563 240 P HA 0.158 nan 4.420 nan 0.000 0.265 240 P C -0.849 176.431 177.300 -0.033 0.000 1.222 240 P CA 0.288 63.381 63.100 -0.011 0.000 0.767 240 P CB 0.351 32.030 31.700 -0.035 0.000 0.801 241 L N 2.668 123.878 121.223 -0.021 0.000 2.346 241 L HA 0.617 4.956 4.340 -0.001 0.000 0.276 241 L C 0.477 177.307 176.870 -0.067 0.000 1.006 241 L CA -1.124 53.692 54.840 -0.039 0.000 0.817 241 L CB 1.915 44.018 42.059 0.074 0.000 1.272 241 L HN 0.241 nan 8.230 nan 0.000 0.421 242 A N 3.280 126.003 122.820 -0.162 0.000 2.671 242 A HA 0.740 5.060 4.320 -0.001 0.000 0.306 242 A C 0.050 177.609 177.584 -0.041 0.000 1.473 242 A CA 0.122 52.087 52.037 -0.120 0.000 1.155 242 A CB -0.372 18.422 19.000 -0.343 0.000 1.123 242 A HN 0.808 nan 8.150 nan 0.000 0.545 243 A N 1.935 124.719 122.820 -0.060 0.000 2.590 243 A HA 0.740 5.060 4.320 -0.001 0.000 0.294 243 A C -0.523 176.934 177.584 -0.212 0.000 1.046 243 A CA -0.484 51.433 52.037 -0.200 0.000 0.684 243 A CB 0.676 19.396 19.000 -0.466 0.000 1.279 243 A HN 0.747 nan 8.150 nan 0.000 0.415 244 T N 1.119 115.513 114.554 -0.265 0.000 2.879 244 T HA 0.532 4.882 4.350 -0.001 0.000 0.290 244 T C -0.134 174.393 174.700 -0.288 0.000 0.993 244 T CA -0.491 61.483 62.100 -0.211 0.000 0.975 244 T CB 1.485 70.289 68.868 -0.106 0.000 0.981 244 T HN 0.749 nan 8.240 nan 0.000 0.439 245 R N 1.867 122.191 120.500 -0.293 0.000 2.442 245 R HA 0.270 4.609 4.340 -0.001 0.000 0.291 245 R C 0.796 177.000 176.300 -0.160 0.000 1.069 245 R CA -0.367 55.554 56.100 -0.297 0.000 1.022 245 R CB 0.385 30.479 30.300 -0.343 0.000 0.976 245 R HN 0.419 nan 8.270 nan 0.000 0.443 246 R N 0.933 121.384 120.500 -0.082 0.000 2.250 246 R HA 0.150 4.489 4.340 -0.001 0.000 0.194 246 R C 0.137 176.413 176.300 -0.039 0.000 0.927 246 R CA 0.617 56.701 56.100 -0.026 0.000 1.052 246 R CB 0.380 30.709 30.300 0.047 0.000 1.055 246 R HN 0.756 nan 8.270 nan 0.000 0.537 247 S N -1.291 114.390 115.700 -0.032 0.000 2.615 247 S HA 0.389 4.858 4.470 -0.001 0.000 0.269 247 S C -2.646 171.911 174.600 -0.072 0.000 1.161 247 S CA -1.088 57.088 58.200 -0.040 0.000 0.817 247 S CB 2.296 65.493 63.200 -0.004 0.000 1.131 247 S HN -0.259 nan 8.310 nan 0.000 0.467 248 P HA 0.030 nan 4.420 nan 0.000 0.228 248 P C 1.114 178.372 177.300 -0.071 0.000 1.151 248 P CA 1.653 64.696 63.100 -0.096 0.000 0.770 248 P CB -0.172 31.492 31.700 -0.060 0.000 0.786 249 T N -6.300 108.247 114.554 -0.010 0.000 3.040 249 T HA 0.248 4.598 4.350 -0.001 0.000 0.266 249 T C -0.209 174.536 174.700 0.075 0.000 1.005 249 T CA -0.380 61.737 62.100 0.028 0.000 0.906 249 T CB -0.553 68.354 68.868 0.064 0.000 1.082 249 T HN -0.122 nan 8.240 nan 0.000 0.531 250 F N 1.426 121.307 119.950 -0.115 0.000 2.557 250 F HA 0.670 5.196 4.527 -0.001 0.000 0.316 250 F C -1.523 174.140 175.800 -0.228 0.000 1.141 250 F CA -0.977 56.950 58.000 -0.120 0.000 0.922 250 F CB 2.084 41.034 39.000 -0.083 0.000 1.194 250 F HN -0.117 nan 8.300 nan 0.000 0.443 251 V N 5.120 124.614 119.914 -0.700 0.000 2.448 251 V HA 0.288 4.407 4.120 -0.001 0.000 0.295 251 V C -0.433 175.141 176.094 -0.867 0.000 1.025 251 V CA -0.843 60.994 62.300 -0.771 0.000 0.859 251 V CB 1.731 32.872 31.823 -1.136 0.000 0.988 251 V HN 0.708 nan 8.190 nan 0.000 0.431 252 E N 4.170 124.114 120.200 -0.426 0.000 1.996 252 E HA 0.174 4.523 4.350 -0.001 0.000 0.280 252 E C -1.202 175.217 176.600 -0.301 0.000 1.092 252 E CA -0.514 55.781 56.400 -0.176 0.000 0.862 252 E CB 0.490 30.222 29.700 0.054 0.000 1.066 252 E HN 0.627 nan 8.360 nan 0.000 0.396 253 W N 2.597 123.792 121.300 -0.175 0.000 2.238 253 W HA 0.130 4.790 4.660 -0.001 0.000 0.321 253 W C 0.683 177.207 176.519 0.008 0.000 1.293 253 W CA -0.506 56.701 57.345 -0.230 0.000 1.204 253 W CB 0.923 29.995 29.460 -0.646 0.000 1.167 253 W HN 0.308 nan 8.180 nan 0.000 0.553 254 S N 1.678 117.571 115.700 0.322 0.000 2.614 254 S HA 0.601 5.071 4.470 -0.001 0.000 0.265 254 S C 0.146 175.174 174.600 0.714 0.000 1.303 254 S CA -0.555 57.904 58.200 0.431 0.000 1.000 254 S CB 1.108 64.540 63.200 0.387 0.000 0.935 254 S HN 0.515 nan 8.310 nan 0.000 0.551 255 S N -0.377 115.700 115.700 0.628 0.000 2.703 255 S HA 0.680 5.149 4.470 -0.001 0.000 0.273 255 S C 0.780 175.600 174.600 0.366 0.000 1.178 255 S CA -0.333 58.177 58.200 0.517 0.000 0.838 255 S CB 0.500 63.926 63.200 0.376 0.000 1.178 255 S HN 0.732 nan 8.310 nan 0.000 0.494 256 A N 1.708 124.630 122.820 0.170 0.000 1.927 256 A HA -0.224 4.096 4.320 -0.001 0.000 0.220 256 A C 2.031 179.673 177.584 0.096 0.000 1.185 256 A CA 2.299 54.388 52.037 0.086 0.000 0.639 256 A CB -1.637 17.381 19.000 0.029 0.000 0.820 256 A HN 0.884 nan 8.150 nan 0.000 0.451 257 N N -0.607 118.155 118.700 0.105 0.000 2.137 257 N HA -0.167 4.572 4.740 -0.001 0.000 0.190 257 N C 1.548 177.094 175.510 0.059 0.000 1.017 257 N CA 2.121 55.206 53.050 0.059 0.000 0.859 257 N CB -0.271 38.261 38.487 0.075 0.000 1.002 257 N HN 0.491 nan 8.380 nan 0.000 0.428 258 T N 0.355 114.996 114.554 0.145 0.000 2.788 258 T HA -0.053 4.296 4.350 -0.001 0.000 0.268 258 T C 2.066 176.830 174.700 0.107 0.000 1.044 258 T CA 1.062 63.255 62.100 0.155 0.000 1.139 258 T CB -0.166 68.871 68.868 0.282 0.000 0.867 258 T HN 0.054 nan 8.240 nan 0.000 0.454 259 V N -0.467 119.502 119.914 0.093 0.000 2.346 259 V HA 0.198 4.317 4.120 -0.001 0.000 0.244 259 V C 0.479 176.579 176.094 0.011 0.000 1.037 259 V CA 0.927 63.228 62.300 0.003 0.000 1.029 259 V CB -0.273 31.502 31.823 -0.080 0.000 0.663 259 V HN 0.484 nan 8.190 nan 0.000 0.454 260 F N 0.885 120.739 119.950 -0.160 0.000 2.596 260 F HA 0.414 4.941 4.527 -0.001 0.000 0.311 260 F C 0.179 175.873 175.800 -0.176 0.000 1.116 260 F CA -1.571 56.297 58.000 -0.220 0.000 0.957 260 F CB 1.554 40.373 39.000 -0.302 0.000 1.250 260 F HN 0.161 nan 8.300 nan 0.000 0.444 261 D N 4.654 124.582 120.400 -0.787 0.000 2.349 261 D HA -0.005 4.634 4.640 -0.001 0.000 0.224 261 D C 1.127 177.121 176.300 -0.509 0.000 1.029 261 D CA 0.894 54.594 54.000 -0.500 0.000 0.879 261 D CB -0.093 40.466 40.800 -0.401 0.000 0.906 261 D HN 0.685 nan 8.370 nan 0.000 0.528 262 L N -1.775 118.952 121.223 -0.828 0.000 4.625 262 L HA -0.253 4.086 4.340 -0.001 0.000 0.428 262 L C -0.124 176.664 176.870 -0.135 0.000 1.129 262 L CA 0.586 55.214 54.840 -0.353 0.000 0.978 262 L CB -1.357 40.680 42.059 -0.037 0.000 2.043 262 L HN 0.247 nan 8.230 nan 0.000 0.847 263 Q N 0.713 120.344 119.800 -0.280 0.000 2.299 263 Q HA 0.272 4.611 4.340 -0.001 0.000 0.246 263 Q C 0.350 176.401 176.000 0.085 0.000 0.935 263 Q CA -0.298 55.453 55.803 -0.087 0.000 0.887 263 Q CB 0.742 29.400 28.738 -0.134 0.000 1.223 263 Q HN 0.121 nan 8.270 nan 0.000 0.439 264 N N 1.733 120.495 118.700 0.102 0.000 2.492 264 N HA 0.123 4.863 4.740 -0.001 0.000 0.260 264 N C -0.384 175.204 175.510 0.130 0.000 1.215 264 N CA 0.299 53.432 53.050 0.140 0.000 0.923 264 N CB 0.589 39.065 38.487 -0.018 0.000 1.092 264 N HN 0.241 nan 8.380 nan 0.000 0.448 265 R N 1.379 121.995 120.500 0.195 0.000 2.750 265 R HA 0.495 4.834 4.340 -0.001 0.000 0.281 265 R C -2.470 173.921 176.300 0.152 0.000 0.972 265 R CA -1.591 54.609 56.100 0.167 0.000 0.912 265 R CB 1.826 32.257 30.300 0.218 0.000 1.187 265 R HN 0.360 nan 8.270 nan 0.000 0.464 266 P HA 0.144 nan 4.420 nan 0.000 0.275 266 P C -1.318 176.039 177.300 0.094 0.000 1.228 266 P CA -0.425 62.769 63.100 0.157 0.000 0.786 266 P CB 0.702 32.539 31.700 0.228 0.000 0.927 267 N N -1.123 117.616 118.700 0.066 0.000 2.831 267 N HA 0.282 5.022 4.740 -0.001 0.000 0.276 267 N C 0.612 176.133 175.510 0.018 0.000 1.416 267 N CA -0.798 52.272 53.050 0.033 0.000 0.799 267 N CB -0.600 37.894 38.487 0.012 0.000 1.554 267 N HN 0.042 nan 8.380 nan 0.000 0.541 268 T N -0.702 113.855 114.554 0.006 0.000 2.685 268 T HA -0.160 4.190 4.350 -0.001 0.000 0.268 268 T C 0.330 175.024 174.700 -0.011 0.000 1.034 268 T CA 1.863 63.961 62.100 -0.003 0.000 1.149 268 T CB -0.449 68.415 68.868 -0.007 0.000 0.860 268 T HN 0.552 nan 8.240 nan 0.000 0.449 269 D N 0.578 120.968 120.400 -0.017 0.000 2.348 269 D HA 0.265 4.905 4.640 -0.001 0.000 0.211 269 D C 0.691 176.978 176.300 -0.022 0.000 0.998 269 D CA 0.294 54.279 54.000 -0.024 0.000 0.873 269 D CB 0.312 41.091 40.800 -0.035 0.000 0.925 269 D HN 0.367 nan 8.370 nan 0.000 0.524 270 A N 1.738 124.551 122.820 -0.010 0.000 3.266 270 A HA 0.317 4.637 4.320 -0.001 0.000 0.310 270 A C -2.024 175.570 177.584 0.016 0.000 1.066 270 A CA -0.878 51.159 52.037 0.000 0.000 0.839 270 A CB 0.968 19.976 19.000 0.014 0.000 1.192 270 A HN -0.172 nan 8.150 nan 0.000 0.496 271 P HA -0.045 nan 4.420 nan 0.000 0.233 271 P C 0.361 177.619 177.300 -0.069 0.000 1.167 271 P CA 1.054 64.147 63.100 -0.012 0.000 0.770 271 P CB 0.497 32.172 31.700 -0.041 0.000 0.837 272 E N -0.171 119.961 120.200 -0.113 0.000 2.548 272 E HA 0.159 4.508 4.350 -0.001 0.000 0.206 272 E C 0.147 176.761 176.600 0.024 0.000 1.005 272 E CA 0.043 56.288 56.400 -0.257 0.000 0.951 272 E CB 0.674 30.197 29.700 -0.296 0.000 1.035 272 E HN 0.488 nan 8.360 nan 0.000 0.470 273 E N 0.965 121.244 120.200 0.131 0.000 2.222 273 E HA 0.446 4.796 4.350 -0.001 0.000 0.272 273 E C -0.279 176.484 176.600 0.271 0.000 0.982 273 E CA -0.526 55.986 56.400 0.187 0.000 0.842 273 E CB 1.501 31.287 29.700 0.143 0.000 1.144 273 E HN -0.158 nan 8.360 nan 0.000 0.397 274 R N 2.037 122.691 120.500 0.256 0.000 2.435 274 R HA 0.439 4.779 4.340 -0.001 0.000 0.308 274 R C -1.489 174.977 176.300 0.277 0.000 0.975 274 R CA -0.527 55.709 56.100 0.227 0.000 0.867 274 R CB 0.976 31.371 30.300 0.158 0.000 1.171 274 R HN 0.401 nan 8.270 nan 0.000 0.470 275 F N 2.159 122.151 119.950 0.069 0.000 2.615 275 F HA 0.455 4.981 4.527 -0.001 0.000 0.312 275 F C -1.682 174.078 175.800 -0.068 0.000 1.119 275 F CA -0.675 57.339 58.000 0.024 0.000 0.979 275 F CB 2.044 41.124 39.000 0.133 0.000 1.266 275 F HN 0.389 nan 8.300 nan 0.000 0.444 276 N N 4.631 122.698 118.700 -1.056 0.000 2.296 276 N HA 0.581 5.321 4.740 -0.001 0.000 0.294 276 N C -2.037 172.470 175.510 -1.672 0.000 1.033 276 N CA -0.632 51.728 53.050 -1.150 0.000 0.839 276 N CB 2.349 40.327 38.487 -0.850 0.000 1.395 276 N HN 0.600 nan 8.380 nan 0.000 0.479 277 L N 2.555 123.023 121.223 -1.258 0.000 2.296 277 L HA 0.640 4.980 4.340 -0.001 0.000 0.286 277 L C -1.670 174.664 176.870 -0.893 0.000 1.023 277 L CA -0.295 54.034 54.840 -0.852 0.000 0.812 277 L CB 0.128 42.050 42.059 -0.228 0.000 1.223 277 L HN 0.450 nan 8.230 nan 0.000 0.421 278 F N 6.582 126.296 119.950 -0.393 0.000 2.359 278 F HA 0.551 5.078 4.527 -0.000 0.000 0.369 278 F C -2.118 173.649 175.800 -0.056 0.000 1.084 278 F CA -2.111 55.760 58.000 -0.214 0.000 1.096 278 F CB 0.737 39.596 39.000 -0.234 0.000 1.335 278 F HN 0.420 nan 8.300 nan 0.000 0.457 279 P HA 0.337 nan 4.420 nan 0.000 0.278 279 P C -0.028 177.340 177.300 0.114 0.000 1.258 279 P CA -0.297 62.856 63.100 0.089 0.000 0.811 279 P CB 1.175 32.904 31.700 0.049 0.000 1.063 280 A N -0.666 122.203 122.820 0.082 0.000 2.822 280 A HA -0.103 4.217 4.320 -0.001 0.000 0.287 280 A C -0.031 177.593 177.584 0.067 0.000 1.479 280 A CA 0.758 52.835 52.037 0.067 0.000 0.779 280 A CB -2.441 16.597 19.000 0.062 0.000 1.022 280 A HN 0.273 nan 8.150 nan 0.000 0.532 281 V N -0.156 119.816 119.914 0.097 0.000 2.376 281 V HA 0.656 4.775 4.120 -0.001 0.000 0.287 281 V C 0.641 176.750 176.094 0.025 0.000 1.015 281 V CA -0.316 62.039 62.300 0.092 0.000 0.834 281 V CB 1.439 33.415 31.823 0.255 0.000 1.001 281 V HN 1.444 nan 8.190 nan 0.000 0.428 282 A N 4.435 127.242 122.820 -0.022 0.000 2.404 282 A HA 0.461 4.780 4.320 -0.001 0.000 0.273 282 A C 0.155 177.716 177.584 -0.039 0.000 1.144 282 A CA -0.157 51.847 52.037 -0.055 0.000 0.806 282 A CB -0.137 18.867 19.000 0.006 0.000 1.080 282 A HN 0.874 nan 8.150 nan 0.000 0.509 283 C N 2.646 121.898 119.300 -0.079 0.000 2.369 283 C HA 0.411 4.871 4.460 -0.001 0.000 0.358 283 C C 1.335 176.285 174.990 -0.066 0.000 1.274 283 C CA -0.360 58.602 59.018 -0.093 0.000 1.935 283 C CB 0.077 27.751 27.740 -0.110 0.000 2.431 283 C HN 1.012 nan 8.230 nan 0.000 0.545 284 E N 0.798 120.977 120.200 -0.034 0.000 2.290 284 E HA 0.090 4.439 4.350 -0.001 0.000 0.199 284 E C 0.375 176.955 176.600 -0.034 0.000 0.912 284 E CA 0.308 56.697 56.400 -0.018 0.000 0.924 284 E CB 0.500 30.211 29.700 0.018 0.000 0.901 284 E HN 0.795 nan 8.360 nan 0.000 0.487 285 R N -0.204 120.272 120.500 -0.040 0.000 2.687 285 R HA 0.337 4.677 4.340 -0.001 0.000 0.265 285 R C -0.987 175.221 176.300 -0.153 0.000 1.048 285 R CA -0.850 55.195 56.100 -0.091 0.000 0.884 285 R CB 0.776 31.026 30.300 -0.085 0.000 1.258 285 R HN -0.083 nan 8.270 nan 0.000 0.469 286 V N 0.088 119.902 119.914 -0.167 0.000 2.432 286 V HA 0.527 4.646 4.120 -0.001 0.000 0.275 286 V C 0.196 176.150 176.094 -0.233 0.000 1.043 286 V CA -0.802 61.357 62.300 -0.235 0.000 0.925 286 V CB 1.426 33.094 31.823 -0.260 0.000 0.985 286 V HN 0.509 nan 8.190 nan 0.000 0.466 287 V N 6.171 125.896 119.914 -0.315 0.000 2.427 287 V HA 0.366 4.486 4.120 -0.001 0.000 0.268 287 V C 0.797 176.807 176.094 -0.140 0.000 1.046 287 V CA -0.280 61.865 62.300 -0.259 0.000 0.970 287 V CB 0.326 31.967 31.823 -0.304 0.000 1.001 287 V HN 0.944 nan 8.190 nan 0.000 0.476 288 R N 4.031 124.488 120.500 -0.072 0.000 2.490 288 R HA 0.278 4.617 4.340 -0.001 0.000 0.278 288 R C 0.491 176.803 176.300 0.021 0.000 1.069 288 R CA -0.538 55.591 56.100 0.048 0.000 1.080 288 R CB 0.510 30.827 30.300 0.028 0.000 1.030 288 R HN 0.868 nan 8.270 nan 0.000 0.491 289 N N 1.494 120.225 118.700 0.052 0.000 2.354 289 N HA -0.009 4.731 4.740 -0.001 0.000 0.246 289 N C 0.504 176.001 175.510 -0.022 0.000 1.285 289 N CA 0.166 53.219 53.050 0.004 0.000 0.925 289 N CB 0.540 39.027 38.487 -0.000 0.000 1.174 289 N HN 0.589 nan 8.380 nan 0.000 0.478 290 A N -0.003 122.799 122.820 -0.030 0.000 2.024 290 A HA -0.095 4.224 4.320 -0.001 0.000 0.220 290 A C 1.828 179.378 177.584 -0.057 0.000 1.164 290 A CA 0.916 52.930 52.037 -0.039 0.000 0.643 290 A CB -0.464 18.519 19.000 -0.028 0.000 0.806 290 A HN 0.514 nan 8.150 nan 0.000 0.451 291 L N -0.759 120.420 121.223 -0.074 0.000 2.509 291 L HA 0.118 4.458 4.340 -0.001 0.000 0.222 291 L C 0.225 176.989 176.870 -0.177 0.000 1.123 291 L CA 0.615 55.393 54.840 -0.103 0.000 0.856 291 L CB -1.145 40.856 42.059 -0.096 0.000 0.985 291 L HN 0.485 nan 8.230 nan 0.000 0.456 292 N N -0.401 118.174 118.700 -0.208 0.000 2.754 292 N HA -0.187 4.552 4.740 -0.001 0.000 0.248 292 N C 1.023 175.937 175.510 -0.995 0.000 1.093 292 N CA 0.970 53.770 53.050 -0.418 0.000 0.699 292 N CB -1.315 37.051 38.487 -0.202 0.000 1.016 292 N HN 0.509 nan 8.380 nan 0.000 0.552 293 S N -1.431 113.868 115.700 -0.669 0.000 2.540 293 S HA 0.216 4.686 4.470 -0.001 0.000 0.222 293 S C 0.329 174.709 174.600 -0.368 0.000 1.008 293 S CA 0.238 58.098 58.200 -0.566 0.000 0.939 293 S CB 1.266 64.320 63.200 -0.244 0.000 0.865 293 S HN 0.504 nan 8.310 nan 0.000 0.499 294 E N 0.231 120.320 120.200 -0.185 0.000 2.388 294 E HA 0.383 4.732 4.350 -0.001 0.000 0.281 294 E C -1.795 174.986 176.600 0.302 0.000 1.046 294 E CA -0.966 55.541 56.400 0.179 0.000 0.825 294 E CB 0.883 30.650 29.700 0.111 0.000 1.243 294 E HN 0.048 nan 8.360 nan 0.000 0.438 295 I N 3.147 123.846 120.570 0.215 0.000 2.365 295 I HA 0.156 4.326 4.170 -0.001 0.000 0.291 295 I C 0.921 176.954 176.117 -0.141 0.000 1.004 295 I CA -0.130 61.121 61.300 -0.082 0.000 1.311 295 I CB 1.249 38.985 38.000 -0.440 0.000 1.401 295 I HN 0.707 nan 8.210 nan 0.000 0.491 296 E N 3.192 123.310 120.200 -0.136 0.000 2.364 296 E HA 0.075 4.425 4.350 -0.001 0.000 0.196 296 E C 0.372 176.982 176.600 0.016 0.000 0.990 296 E CA 0.369 56.758 56.400 -0.017 0.000 0.886 296 E CB 0.555 30.258 29.700 0.005 0.000 0.866 296 E HN 0.746 nan 8.360 nan 0.000 0.493 297 S N -0.664 114.953 115.700 -0.140 0.000 2.656 297 S HA 0.471 4.941 4.470 -0.001 0.000 0.265 297 S C -1.680 172.873 174.600 -0.078 0.000 1.132 297 S CA -1.046 57.181 58.200 0.046 0.000 0.819 297 S CB 1.069 64.335 63.200 0.109 0.000 1.119 297 S HN 0.004 nan 8.310 nan 0.000 0.476 298 L N 1.643 122.939 121.223 0.123 0.000 2.349 298 L HA 0.557 4.897 4.340 -0.001 0.000 0.278 298 L C -0.927 175.999 176.870 0.094 0.000 0.996 298 L CA -0.186 54.679 54.840 0.041 0.000 0.825 298 L CB 1.102 43.225 42.059 0.107 0.000 1.243 298 L HN 0.912 nan 8.230 nan 0.000 0.412 299 H N 6.072 125.104 119.070 -0.062 0.000 2.742 299 H HA 0.458 5.013 4.556 -0.001 0.000 0.302 299 H C -0.162 175.110 175.328 -0.093 0.000 1.069 299 H CA -0.393 55.618 56.048 -0.061 0.000 1.446 299 H CB 0.846 30.574 29.762 -0.057 0.000 1.462 299 H HN 0.667 nan 8.280 nan 0.000 0.499 300 I N 0.166 120.742 120.570 0.011 0.000 2.910 300 I HA 0.409 4.578 4.170 -0.001 0.000 0.310 300 I C -0.683 175.473 176.117 0.065 0.000 1.043 300 I CA -0.939 60.332 61.300 -0.048 0.000 1.053 300 I CB 2.710 40.565 38.000 -0.242 0.000 1.242 300 I HN 0.593 nan 8.210 nan 0.000 0.452 301 H N 3.034 122.078 119.070 -0.042 0.000 2.970 301 H HA 0.203 4.758 4.556 -0.001 0.000 0.315 301 H C -1.484 173.865 175.328 0.036 0.000 0.992 301 H CA -0.681 55.354 56.048 -0.023 0.000 1.363 301 H CB 1.343 31.093 29.762 -0.020 0.000 1.532 301 H HN 0.801 nan 8.280 nan 0.000 0.514 302 D N 5.494 125.871 120.400 -0.038 0.000 2.382 302 D HA -0.015 4.625 4.640 -0.001 0.000 0.259 302 D C 0.997 177.117 176.300 -0.300 0.000 1.224 302 D CA -0.021 53.944 54.000 -0.059 0.000 0.894 302 D CB 0.964 41.855 40.800 0.152 0.000 1.127 302 D HN 0.671 nan 8.370 nan 0.000 0.487 303 L N 4.321 125.398 121.223 -0.243 0.000 2.341 303 L HA -0.072 4.267 4.340 -0.001 0.000 0.214 303 L C 2.025 178.843 176.870 -0.088 0.000 1.115 303 L CA -0.010 54.688 54.840 -0.238 0.000 0.820 303 L CB -0.091 41.922 42.059 -0.078 0.000 0.944 303 L HN 0.488 nan 8.230 nan 0.000 0.452 304 I N 0.035 120.587 120.570 -0.030 0.000 2.162 304 I HA -0.196 3.974 4.170 -0.001 0.000 0.238 304 I C 2.791 178.914 176.117 0.010 0.000 1.076 304 I CA 1.911 63.216 61.300 0.007 0.000 1.353 304 I CB -1.337 36.683 38.000 0.033 0.000 1.063 304 I HN 0.310 nan 8.210 nan 0.000 0.408 305 S N 0.281 115.995 115.700 0.024 0.000 2.414 305 S HA 0.095 4.565 4.470 -0.001 0.000 0.227 305 S C 1.824 176.443 174.600 0.032 0.000 1.022 305 S CA 0.947 59.173 58.200 0.042 0.000 0.958 305 S CB 0.035 63.287 63.200 0.086 0.000 0.797 305 S HN 0.650 nan 8.310 nan 0.000 0.493 306 G N 1.559 110.366 108.800 0.013 0.000 2.195 306 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.224 306 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.224 306 G C -0.358 174.636 174.900 0.155 0.000 0.990 306 G CA 0.126 45.283 45.100 0.095 0.000 0.639 306 G HN 0.836 nan 8.290 nan 0.000 0.514 307 D N -0.304 120.114 120.400 0.031 0.000 2.387 307 D HA 0.746 5.385 4.640 -0.001 0.000 0.255 307 D C 0.417 176.555 176.300 -0.270 0.000 1.081 307 D CA -0.744 53.167 54.000 -0.148 0.000 0.994 307 D CB 0.721 41.349 40.800 -0.285 0.000 1.127 307 D HN 0.423 nan 8.370 nan 0.000 0.513 308 R N -0.438 119.716 120.500 -0.577 0.000 2.740 308 R HA 0.667 5.007 4.340 -0.001 0.000 0.282 308 R C -1.024 174.777 176.300 -0.832 0.000 0.969 308 R CA -0.805 55.009 56.100 -0.477 0.000 0.918 308 R CB 1.419 31.541 30.300 -0.296 0.000 1.175 308 R HN 0.351 nan 8.270 nan 0.000 0.464 309 F N -0.078 119.817 119.950 -0.091 0.000 2.613 309 F HA 0.350 4.877 4.527 -0.001 0.000 0.314 309 F C -0.068 175.682 175.800 -0.083 0.000 1.075 309 F CA -0.944 57.002 58.000 -0.089 0.000 0.945 309 F CB 2.029 40.984 39.000 -0.076 0.000 1.310 309 F HN 0.269 nan 8.300 nan 0.000 0.467 310 E N 2.506 122.818 120.200 0.187 0.000 2.092 310 E HA 0.429 4.778 4.350 -0.001 0.000 0.271 310 E C -1.041 175.663 176.600 0.173 0.000 0.919 310 E CA -0.511 56.008 56.400 0.198 0.000 0.760 310 E CB 1.542 31.357 29.700 0.191 0.000 1.106 310 E HN 0.236 nan 8.360 nan 0.000 0.408 311 I N 3.155 123.817 120.570 0.152 0.000 2.359 311 I HA 0.268 4.438 4.170 -0.001 0.000 0.294 311 I C 0.131 176.389 176.117 0.234 0.000 0.987 311 I CA -0.841 60.556 61.300 0.162 0.000 1.225 311 I CB 1.265 39.319 38.000 0.088 0.000 1.366 311 I HN 0.336 nan 8.210 nan 0.000 0.466 312 K N 5.020 125.551 120.400 0.218 0.000 2.164 312 K HA 0.854 5.173 4.320 -0.001 0.000 0.258 312 K C -1.167 175.516 176.600 0.138 0.000 0.951 312 K CA -0.365 56.056 56.287 0.223 0.000 0.844 312 K CB 1.831 34.423 32.500 0.153 0.000 1.099 312 K HN 0.780 nan 8.250 nan 0.000 0.435 313 A N 2.514 125.344 122.820 0.016 0.000 2.609 313 A HA 0.394 4.714 4.320 -0.001 0.000 0.291 313 A C -0.532 176.964 177.584 -0.146 0.000 1.096 313 A CA -0.636 51.271 52.037 -0.217 0.000 0.684 313 A CB 1.006 19.635 19.000 -0.618 0.000 1.282 313 A HN 0.747 nan 8.150 nan 0.000 0.412 314 D N -0.533 119.811 120.400 -0.094 0.000 2.162 314 D HA 0.112 4.751 4.640 -0.001 0.000 0.203 314 D C 0.358 176.581 176.300 -0.128 0.000 0.967 314 D CA 1.773 55.783 54.000 0.017 0.000 0.840 314 D CB 0.226 41.090 40.800 0.107 0.000 0.972 314 D HN 0.242 nan 8.370 nan 0.000 0.482 315 V N 0.546 120.234 119.914 -0.376 0.000 2.709 315 V HA 0.292 4.412 4.120 -0.001 0.000 0.308 315 V C -1.287 174.574 176.094 -0.390 0.000 1.062 315 V CA -0.882 61.200 62.300 -0.364 0.000 0.901 315 V CB 1.945 33.404 31.823 -0.606 0.000 1.003 315 V HN -0.069 nan 8.190 nan 0.000 0.425 316 Y N 2.575 122.854 120.300 -0.035 0.000 2.350 316 Y HA 0.713 5.263 4.550 -0.001 0.000 0.338 316 Y C -0.152 175.709 175.900 -0.065 0.000 0.961 316 Y CA -1.025 57.041 58.100 -0.056 0.000 1.100 316 Y CB 2.136 40.558 38.460 -0.062 0.000 1.179 316 Y HN 0.343 nan 8.280 nan 0.000 0.454 317 V N 5.257 125.136 119.914 -0.059 0.000 2.444 317 V HA 0.401 4.521 4.120 -0.001 0.000 0.294 317 V C -0.448 175.517 176.094 -0.215 0.000 1.022 317 V CA -0.954 61.201 62.300 -0.242 0.000 0.850 317 V CB 1.576 33.031 31.823 -0.614 0.000 0.992 317 V HN 0.585 nan 8.190 nan 0.000 0.426 318 L N 5.091 126.182 121.223 -0.221 0.000 2.262 318 L HA 0.571 4.911 4.340 -0.001 0.000 0.288 318 L C 0.356 177.118 176.870 -0.181 0.000 1.035 318 L CA -0.162 54.564 54.840 -0.191 0.000 0.820 318 L CB 1.278 43.204 42.059 -0.221 0.000 1.204 318 L HN 0.812 nan 8.230 nan 0.000 0.424 319 T N -1.505 112.979 114.554 -0.117 0.000 3.630 319 T HA 0.389 4.739 4.350 -0.001 0.000 0.238 319 T C 0.604 175.303 174.700 -0.002 0.000 1.195 319 T CA -0.191 61.882 62.100 -0.045 0.000 1.433 319 T CB 1.062 69.909 68.868 -0.034 0.000 0.940 319 T HN 0.548 nan 8.240 nan 0.000 0.641 320 A N 0.831 123.658 122.820 0.011 0.000 2.337 320 A HA 0.775 5.095 4.320 -0.001 0.000 0.227 320 A C 1.349 179.002 177.584 0.114 0.000 1.259 320 A CA 0.056 52.122 52.037 0.050 0.000 0.870 320 A CB -0.748 18.276 19.000 0.039 0.000 0.927 320 A HN 1.750 nan 8.150 nan 0.000 0.497 321 G N -2.569 106.296 108.800 0.109 0.000 2.663 321 G HA2 0.280 4.240 3.960 -0.001 0.000 0.686 321 G HA3 0.280 4.240 3.960 -0.001 0.000 0.686 321 G C 0.743 175.741 174.900 0.164 0.000 1.246 321 G CA -0.286 44.890 45.100 0.127 0.000 0.795 321 G HN 1.288 nan 8.290 nan 0.000 0.627 322 A N -0.082 122.827 122.820 0.149 0.000 1.917 322 A HA 0.112 4.431 4.320 -0.001 0.000 0.219 322 A C 2.672 180.348 177.584 0.153 0.000 1.182 322 A CA 3.481 55.605 52.037 0.145 0.000 0.633 322 A CB -0.459 18.596 19.000 0.091 0.000 0.819 322 A HN 1.649 nan 8.150 nan 0.000 0.448 323 V N -1.073 118.889 119.914 0.080 0.000 2.302 323 V HA -0.206 3.914 4.120 -0.001 0.000 0.243 323 V C 2.224 178.329 176.094 0.019 0.000 1.036 323 V CA 2.179 64.486 62.300 0.012 0.000 1.020 323 V CB -1.090 30.617 31.823 -0.193 0.000 0.657 323 V HN 0.741 nan 8.190 nan 0.000 0.453 324 H N -0.240 118.900 119.070 0.116 0.000 2.502 324 H HA -0.015 4.541 4.556 -0.001 0.000 0.283 324 H C 2.266 177.585 175.328 -0.015 0.000 1.015 324 H CA 0.816 56.889 56.048 0.043 0.000 1.298 324 H CB 0.096 29.867 29.762 0.014 0.000 1.411 324 H HN 0.320 nan 8.280 nan 0.000 0.556 325 N N -0.112 118.658 118.700 0.117 0.000 2.104 325 N HA -0.123 4.617 4.740 -0.001 0.000 0.190 325 N C 1.733 177.214 175.510 -0.047 0.000 1.024 325 N CA 1.811 54.859 53.050 -0.003 0.000 0.853 325 N CB -0.418 38.057 38.487 -0.020 0.000 1.008 325 N HN 0.322 nan 8.380 nan 0.000 0.424 326 T N 0.612 115.207 114.554 0.068 0.000 2.812 326 T HA -0.124 4.226 4.350 -0.001 0.000 0.264 326 T C 1.821 176.358 174.700 -0.271 0.000 1.042 326 T CA 0.881 63.011 62.100 0.051 0.000 1.140 326 T CB -0.141 68.912 68.868 0.307 0.000 0.870 326 T HN 0.339 nan 8.240 nan 0.000 0.445 327 Q N 0.523 120.058 119.800 -0.442 0.000 2.061 327 Q HA -0.077 4.263 4.340 -0.001 0.000 0.204 327 Q C 2.326 178.048 176.000 -0.463 0.000 0.984 327 Q CA 1.206 56.444 55.803 -0.941 0.000 0.846 327 Q CB -0.305 28.206 28.738 -0.378 0.000 0.902 327 Q HN 0.491 nan 8.270 nan 0.000 0.421 328 L N 0.302 121.385 121.223 -0.233 0.000 2.083 328 L HA -0.180 4.159 4.340 -0.001 0.000 0.209 328 L C 2.257 179.028 176.870 -0.165 0.000 1.083 328 L CA 0.844 55.583 54.840 -0.169 0.000 0.752 328 L CB -0.091 41.888 42.059 -0.134 0.000 0.899 328 L HN 0.328 nan 8.230 nan 0.000 0.433 329 L N -1.446 119.658 121.223 -0.198 0.000 2.027 329 L HA -0.201 4.139 4.340 -0.001 0.000 0.206 329 L C 2.400 179.290 176.870 0.033 0.000 1.074 329 L CA 0.909 55.651 54.840 -0.163 0.000 0.745 329 L CB -0.449 41.426 42.059 -0.306 0.000 0.898 329 L HN 0.092 nan 8.230 nan 0.000 0.433 330 V N -0.216 119.648 119.914 -0.083 0.000 2.427 330 V HA -0.248 3.872 4.120 -0.001 0.000 0.248 330 V C 2.056 178.126 176.094 -0.040 0.000 1.051 330 V CA 1.905 64.184 62.300 -0.035 0.000 1.048 330 V CB -0.761 31.002 31.823 -0.101 0.000 0.666 330 V HN 0.486 nan 8.190 nan 0.000 0.456 331 N N 0.123 118.758 118.700 -0.108 0.000 2.512 331 N HA -0.098 4.641 4.740 -0.001 0.000 0.183 331 N C 1.580 177.073 175.510 -0.029 0.000 1.073 331 N CA 1.127 54.138 53.050 -0.065 0.000 0.911 331 N CB -0.037 38.396 38.487 -0.090 0.000 0.964 331 N HN 0.389 nan 8.380 nan 0.000 0.447 332 S N -1.715 113.989 115.700 0.007 0.000 2.556 332 S HA 0.331 4.800 4.470 -0.001 0.000 0.216 332 S C 1.137 175.731 174.600 -0.010 0.000 0.970 332 S CA 0.298 58.514 58.200 0.026 0.000 0.912 332 S CB 0.644 63.914 63.200 0.117 0.000 0.790 332 S HN 0.568 nan 8.310 nan 0.000 0.504 333 G N 0.916 109.711 108.800 -0.009 0.000 2.184 333 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.206 333 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.206 333 G C -0.047 174.755 174.900 -0.163 0.000 0.995 333 G CA -0.676 44.358 45.100 -0.109 0.000 0.651 333 G HN 0.386 nan 8.290 nan 0.000 0.511 334 F N 1.173 121.090 119.950 -0.054 0.000 2.382 334 F HA 0.519 5.046 4.527 -0.000 0.000 0.331 334 F C 1.677 177.484 175.800 0.012 0.000 1.121 334 F CA 1.186 59.167 58.000 -0.031 0.000 1.183 334 F CB 0.748 39.698 39.000 -0.083 0.000 1.207 334 F HN 0.814 nan 8.300 nan 0.000 0.555 335 G N 1.715 110.651 108.800 0.225 0.000 2.582 335 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.288 335 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.288 335 G C -0.710 174.264 174.900 0.123 0.000 1.247 335 G CA 0.111 45.316 45.100 0.175 0.000 0.972 335 G HN 0.842 nan 8.290 nan 0.000 0.557 336 Q N -0.963 118.917 119.800 0.133 0.000 2.274 336 Q HA 0.610 4.949 4.340 -0.001 0.000 0.268 336 Q C -0.897 175.187 176.000 0.141 0.000 1.015 336 Q CA -0.982 54.880 55.803 0.099 0.000 0.775 336 Q CB 1.680 30.454 28.738 0.061 0.000 1.256 336 Q HN 0.786 nan 8.270 nan 0.000 0.442 337 L N 3.407 124.702 121.223 0.120 0.000 2.436 337 L HA 0.721 5.060 4.340 -0.001 0.000 0.265 337 L C 0.456 177.409 176.870 0.139 0.000 1.168 337 L CA 1.989 56.927 54.840 0.164 0.000 0.815 337 L CB 0.992 43.122 42.059 0.119 0.000 1.109 337 L HN 0.861 nan 8.230 nan 0.000 0.462 338 G N 3.255 112.194 108.800 0.231 0.000 2.760 338 G HA2 -0.250 3.709 3.960 -0.001 0.000 0.246 338 G HA3 -0.250 3.709 3.960 -0.001 0.000 0.246 338 G C -0.415 174.366 174.900 -0.197 0.000 1.359 338 G CA -0.111 45.081 45.100 0.153 0.000 0.861 338 G HN 0.950 nan 8.290 nan 0.000 0.541 339 R N 0.797 120.941 120.500 -0.593 0.000 2.502 339 R HA 0.320 4.659 4.340 -0.001 0.000 0.292 339 R C -1.859 173.980 176.300 -0.768 0.000 0.998 339 R CA -0.374 54.948 56.100 -1.296 0.000 1.056 339 R CB -0.054 29.832 30.300 -0.688 0.000 0.939 339 R HN 0.361 nan 8.270 nan 0.000 0.411 340 P HA -0.010 nan 4.420 nan 0.000 0.265 340 P C -1.482 175.653 177.300 -0.274 0.000 1.193 340 P CA 0.232 63.080 63.100 -0.419 0.000 0.765 340 P CB 0.438 31.912 31.700 -0.376 0.000 0.823 341 N N 1.256 119.857 118.700 -0.166 0.000 2.478 341 N HA 0.371 5.111 4.740 -0.001 0.000 0.291 341 N C -2.635 172.832 175.510 -0.071 0.000 1.090 341 N CA -1.704 51.278 53.050 -0.114 0.000 0.911 341 N CB 1.644 40.070 38.487 -0.101 0.000 1.546 341 N HN -0.011 nan 8.380 nan 0.000 0.500 342 P HA 0.029 nan 4.420 nan 0.000 0.237 342 P C 0.635 177.920 177.300 -0.026 0.000 1.178 342 P CA 0.565 63.644 63.100 -0.035 0.000 0.766 342 P CB 0.311 31.992 31.700 -0.032 0.000 0.876 343 T N -1.088 113.448 114.554 -0.031 0.000 2.821 343 T HA -0.029 4.320 4.350 -0.001 0.000 0.267 343 T C 0.920 175.609 174.700 -0.019 0.000 1.046 343 T CA 1.099 63.185 62.100 -0.023 0.000 1.139 343 T CB -0.394 68.458 68.868 -0.026 0.000 0.871 343 T HN 0.128 nan 8.240 nan 0.000 0.454 344 N N 2.297 120.984 118.700 -0.022 0.000 2.976 344 N HA 0.269 5.009 4.740 -0.001 0.000 0.255 344 N C -3.016 172.487 175.510 -0.010 0.000 1.312 344 N CA -1.035 52.005 53.050 -0.016 0.000 0.897 344 N CB 1.536 40.012 38.487 -0.018 0.000 1.184 344 N HN 0.257 nan 8.380 nan 0.000 0.497 345 P HA 0.247 nan 4.420 nan 0.000 0.275 345 P C -2.289 175.019 177.300 0.014 0.000 1.227 345 P CA -0.916 62.189 63.100 0.007 0.000 0.781 345 P CB 0.068 31.775 31.700 0.011 0.000 0.906 346 P HA 0.013 nan 4.420 nan 0.000 0.269 346 P C 0.766 178.084 177.300 0.029 0.000 1.209 346 P CA -0.023 63.096 63.100 0.032 0.000 0.776 346 P CB 0.840 32.574 31.700 0.057 0.000 0.876 347 E N 2.083 122.292 120.200 0.015 0.000 2.204 347 E HA -0.066 4.284 4.350 -0.001 0.000 0.194 347 E C -0.120 176.497 176.600 0.028 0.000 0.989 347 E CA 0.747 57.153 56.400 0.009 0.000 0.824 347 E CB -0.022 29.670 29.700 -0.013 0.000 0.756 347 E HN 0.386 nan 8.360 nan 0.000 0.477 348 L N 1.226 122.474 121.223 0.043 0.000 2.386 348 L HA 0.325 4.664 4.340 -0.001 0.000 0.271 348 L C -0.305 176.670 176.870 0.175 0.000 0.993 348 L CA -1.124 53.775 54.840 0.099 0.000 0.819 348 L CB 2.064 44.134 42.059 0.019 0.000 1.294 348 L HN 0.144 nan 8.230 nan 0.000 0.414 349 L N 3.521 124.879 121.223 0.224 0.000 3.823 349 L HA -0.185 4.154 4.340 -0.001 0.000 0.525 349 L C -1.463 175.520 176.870 0.188 0.000 1.247 349 L CA -0.498 54.483 54.840 0.236 0.000 0.776 349 L CB -0.883 41.355 42.059 0.299 0.000 1.443 349 L HN 0.578 nan 8.230 nan 0.000 0.831 350 P HA -0.126 nan 4.420 nan 0.000 0.223 350 P C 1.278 178.678 177.300 0.166 0.000 1.144 350 P CA 1.091 64.269 63.100 0.131 0.000 0.783 350 P CB 0.319 32.079 31.700 0.099 0.000 0.771 351 S N -0.925 114.896 115.700 0.201 0.000 2.548 351 S HA 0.071 4.540 4.470 -0.001 0.000 0.215 351 S C 0.777 175.542 174.600 0.273 0.000 0.976 351 S CA -0.407 57.958 58.200 0.274 0.000 0.908 351 S CB -0.585 62.776 63.200 0.269 0.000 0.781 351 S HN 0.058 nan 8.310 nan 0.000 0.519 352 L N 2.409 123.772 121.223 0.233 0.000 2.559 352 L HA 0.352 4.691 4.340 -0.001 0.000 0.274 352 L C 1.239 178.257 176.870 0.246 0.000 1.205 352 L CA 1.157 56.137 54.840 0.234 0.000 0.907 352 L CB -0.452 41.735 42.059 0.213 0.000 1.153 352 L HN 0.359 nan 8.230 nan 0.000 0.490 353 G N 2.388 111.343 108.800 0.259 0.000 2.184 353 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.264 353 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.264 353 G C 0.529 175.560 174.900 0.218 0.000 0.975 353 G CA 0.402 45.654 45.100 0.254 0.000 0.642 353 G HN 0.795 nan 8.290 nan 0.000 0.536 354 S N -1.399 114.435 115.700 0.224 0.000 2.722 354 S HA 0.619 5.088 4.470 -0.001 0.000 0.292 354 S C 0.499 175.254 174.600 0.260 0.000 1.135 354 S CA 0.160 58.435 58.200 0.125 0.000 1.003 354 S CB 0.642 63.828 63.200 -0.024 0.000 1.067 354 S HN 0.918 nan 8.310 nan 0.000 0.546 355 Y N -1.030 119.349 120.300 0.131 0.000 4.177 355 Y HA -0.208 4.342 4.550 -0.001 0.000 0.227 355 Y C 0.528 176.522 175.900 0.157 0.000 1.154 355 Y CA 0.180 58.357 58.100 0.128 0.000 1.887 355 Y CB -2.214 36.313 38.460 0.112 0.000 1.594 355 Y HN 0.585 nan 8.280 nan 0.000 0.668 356 I N -0.133 120.605 120.570 0.280 0.000 2.692 356 I HA 0.426 4.595 4.170 -0.001 0.000 0.284 356 I C 0.662 176.953 176.117 0.291 0.000 1.159 356 I CA 0.325 61.783 61.300 0.263 0.000 1.423 356 I CB 1.172 39.322 38.000 0.251 0.000 1.380 356 I HN 0.196 nan 8.210 nan 0.000 0.580 357 T N 2.029 116.703 114.554 0.201 0.000 2.829 357 T HA 0.666 5.015 4.350 -0.001 0.000 0.280 357 T C -0.594 174.122 174.700 0.027 0.000 0.999 357 T CA -0.702 61.499 62.100 0.168 0.000 0.983 357 T CB 2.079 70.984 68.868 0.061 0.000 0.968 357 T HN 0.806 nan 8.240 nan 0.000 0.446 358 E N 1.266 121.463 120.200 -0.006 0.000 2.314 358 E HA 0.348 4.698 4.350 -0.001 0.000 0.272 358 E C -1.055 175.682 176.600 0.228 0.000 0.884 358 E CA -0.568 55.807 56.400 -0.040 0.000 0.753 358 E CB 2.040 31.527 29.700 -0.355 0.000 1.213 358 E HN 0.684 nan 8.360 nan 0.000 0.432 359 Q N 1.226 121.147 119.800 0.202 0.000 2.327 359 Q HA 0.399 4.739 4.340 -0.001 0.000 0.254 359 Q C -0.520 175.621 176.000 0.235 0.000 0.952 359 Q CA -0.303 55.641 55.803 0.236 0.000 0.884 359 Q CB 1.234 30.166 28.738 0.323 0.000 1.224 359 Q HN 0.503 nan 8.270 nan 0.000 0.422 360 S N 1.776 117.499 115.700 0.038 0.000 2.549 360 S HA 0.272 4.742 4.470 -0.001 0.000 0.279 360 S C -0.718 173.910 174.600 0.046 0.000 1.321 360 S CA -0.406 57.726 58.200 -0.113 0.000 1.054 360 S CB 0.350 63.414 63.200 -0.228 0.000 0.899 360 S HN 0.364 nan 8.310 nan 0.000 0.497 361 L N 5.187 126.428 121.223 0.030 0.000 2.376 361 L HA 0.671 5.010 4.340 -0.001 0.000 0.275 361 L C -0.763 175.998 176.870 -0.181 0.000 0.987 361 L CA -0.673 54.097 54.840 -0.116 0.000 0.828 361 L CB 1.531 43.488 42.059 -0.171 0.000 1.249 361 L HN 0.454 nan 8.230 nan 0.000 0.409 362 V N 2.085 121.816 119.914 -0.305 0.000 2.630 362 V HA 0.705 4.824 4.120 -0.001 0.000 0.305 362 V C -0.771 175.212 176.094 -0.186 0.000 1.046 362 V CA -0.647 61.389 62.300 -0.439 0.000 0.934 362 V CB 1.506 32.893 31.823 -0.725 0.000 1.003 362 V HN 0.770 nan 8.190 nan 0.000 0.451 363 F N 4.745 124.498 119.950 -0.327 0.000 2.578 363 F HA 0.876 5.403 4.527 -0.001 0.000 0.311 363 F C -0.278 175.394 175.800 -0.213 0.000 1.094 363 F CA -0.305 57.577 58.000 -0.198 0.000 0.923 363 F CB 1.637 40.555 39.000 -0.136 0.000 1.230 363 F HN 1.200 nan 8.300 nan 0.000 0.450 364 C N 2.904 121.581 119.300 -1.040 0.000 3.320 364 C HA 0.772 5.232 4.460 -0.001 0.000 0.335 364 C C -1.815 172.663 174.990 -0.855 0.000 1.430 364 C CA -0.695 57.690 59.018 -1.055 0.000 1.271 364 C CB 1.665 29.027 27.740 -0.631 0.000 1.609 364 C HN 0.947 nan 8.230 nan 0.000 0.457 365 Q N 0.635 120.153 119.800 -0.469 0.000 2.394 365 Q HA 0.745 5.085 4.340 -0.001 0.000 0.273 365 Q C -0.507 175.517 176.000 0.040 0.000 1.089 365 Q CA -0.209 55.530 55.803 -0.106 0.000 0.812 365 Q CB 2.763 31.425 28.738 -0.127 0.000 1.353 365 Q HN 0.951 nan 8.270 nan 0.000 0.438 366 T N -2.237 112.421 114.554 0.174 0.000 2.942 366 T HA 0.795 5.145 4.350 -0.001 0.000 0.289 366 T C -0.195 174.554 174.700 0.082 0.000 1.044 366 T CA -0.591 61.578 62.100 0.114 0.000 1.023 366 T CB 1.271 70.237 68.868 0.165 0.000 1.123 366 T HN 0.281 nan 8.240 nan 0.000 0.512 370 T N 1.995 116.546 114.554 -0.005 0.000 2.665 370 T HA -0.139 4.211 4.350 -0.001 0.000 0.268 370 T C 1.523 176.229 174.700 0.011 0.000 1.035 370 T CA 2.223 64.325 62.100 0.003 0.000 1.151 370 T CB -0.620 68.247 68.868 -0.002 0.000 0.862 370 T HN 0.751 nan 8.240 nan 0.000 0.438 371 E N 0.581 120.784 120.200 0.006 0.000 2.085 371 E HA -0.078 4.271 4.350 -0.001 0.000 0.194 371 E C 2.316 178.933 176.600 0.028 0.000 0.994 371 E CA 0.878 57.285 56.400 0.012 0.000 0.801 371 E CB -0.295 29.406 29.700 0.001 0.000 0.743 371 E HN 0.411 nan 8.360 nan 0.000 0.453 372 L N 0.724 121.964 121.223 0.028 0.000 2.046 372 L HA -0.190 4.150 4.340 -0.001 0.000 0.208 372 L C 2.414 179.315 176.870 0.052 0.000 1.077 372 L CA 0.563 55.431 54.840 0.046 0.000 0.747 372 L CB -0.255 41.830 42.059 0.043 0.000 0.896 372 L HN 0.212 nan 8.230 nan 0.000 0.432 373 I N -0.053 120.537 120.570 0.033 0.000 2.202 373 I HA -0.269 3.900 4.170 -0.001 0.000 0.242 373 I C 2.166 178.309 176.117 0.043 0.000 1.091 373 I CA 1.418 62.734 61.300 0.027 0.000 1.368 373 I CB -1.234 36.775 38.000 0.016 0.000 1.058 373 I HN 0.240 nan 8.210 nan 0.000 0.410 374 D N 0.852 121.279 120.400 0.045 0.000 2.172 374 D HA -0.178 4.461 4.640 -0.001 0.000 0.196 374 D C 2.348 178.696 176.300 0.080 0.000 0.999 374 D CA 1.766 55.799 54.000 0.054 0.000 0.856 374 D CB -0.199 40.626 40.800 0.041 0.000 0.934 374 D HN 0.379 nan 8.370 nan 0.000 0.453 375 S N -0.292 115.465 115.700 0.095 0.000 2.447 375 S HA -0.095 4.375 4.470 -0.001 0.000 0.233 375 S C 2.056 176.797 174.600 0.236 0.000 1.006 375 S CA 0.571 58.861 58.200 0.151 0.000 0.957 375 S CB -0.342 62.944 63.200 0.143 0.000 0.773 375 S HN 0.098 nan 8.310 nan 0.000 0.507 376 V N 2.841 122.861 119.914 0.178 0.000 2.594 376 V HA -0.115 4.004 4.120 -0.001 0.000 0.253 376 V C 2.198 178.431 176.094 0.232 0.000 1.069 376 V CA 1.980 64.403 62.300 0.204 0.000 1.082 376 V CB -0.717 31.125 31.823 0.032 0.000 0.680 376 V HN 0.788 nan 8.190 nan 0.000 0.469 377 K N 0.060 120.558 120.400 0.164 0.000 2.514 377 K HA 0.168 4.488 4.320 -0.001 0.000 0.207 377 K C 1.492 178.166 176.600 0.124 0.000 1.035 377 K CA 0.707 57.078 56.287 0.140 0.000 1.113 377 K CB 0.253 32.814 32.500 0.102 0.000 0.846 377 K HN 0.431 nan 8.250 nan 0.000 0.491 378 S N -0.119 115.672 115.700 0.151 0.000 2.507 378 S HA -0.066 4.404 4.470 -0.001 0.000 0.235 378 S C 0.323 174.943 174.600 0.034 0.000 0.988 378 S CA 0.443 58.691 58.200 0.080 0.000 0.944 378 S CB -0.247 62.988 63.200 0.058 0.000 0.762 378 S HN 0.265 nan 8.310 nan 0.000 0.526 382 I N 3.150 123.705 120.570 -0.024 0.000 2.418 382 I HA 0.537 4.706 4.170 -0.001 0.000 0.287 382 I C -0.008 176.081 176.117 -0.046 0.000 1.008 382 I CA -0.692 60.571 61.300 -0.062 0.000 1.104 382 I CB 1.638 39.638 38.000 -0.001 0.000 1.264 382 I HN 0.282 nan 8.210 nan 0.000 0.438 383 R N 4.192 124.635 120.500 -0.096 0.000 2.599 383 R HA 0.767 5.106 4.340 -0.001 0.000 0.295 383 R C 0.113 176.429 176.300 0.026 0.000 0.963 383 R CA -0.604 55.478 56.100 -0.029 0.000 0.883 383 R CB 2.088 32.367 30.300 -0.036 0.000 1.171 383 R HN 0.864 nan 8.270 nan 0.000 0.450 384 G N 1.118 109.977 108.800 0.098 0.000 2.693 384 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.226 384 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.226 384 G C -0.741 174.330 174.900 0.284 0.000 1.354 384 G CA -0.657 44.546 45.100 0.172 0.000 0.873 384 G HN 0.509 nan 8.290 nan 0.000 0.562 385 T N 3.272 117.958 114.554 0.220 0.000 2.859 385 T HA 0.649 4.999 4.350 -0.001 0.000 0.281 385 T C -2.321 172.222 174.700 -0.261 0.000 1.005 385 T CA -0.587 61.546 62.100 0.055 0.000 1.025 385 T CB 1.868 70.739 68.868 0.004 0.000 0.977 385 T HN 0.506 nan 8.240 nan 0.000 0.458 386 P HA 0.189 nan 4.420 nan 0.000 0.265 386 P C 1.036 178.067 177.300 -0.448 0.000 1.187 386 P CA 0.951 63.425 63.100 -1.043 0.000 0.766 386 P CB 0.312 31.647 31.700 -0.608 0.000 0.820 387 G N 1.016 109.608 108.800 -0.345 0.000 2.268 387 G HA2 -0.191 3.769 3.960 -0.001 0.000 0.240 387 G HA3 -0.191 3.769 3.960 -0.001 0.000 0.240 387 G C 0.150 175.007 174.900 -0.072 0.000 1.010 387 G CA -0.257 44.755 45.100 -0.148 0.000 0.618 387 G HN 0.516 nan 8.290 nan 0.000 0.516 388 E N 0.316 120.482 120.200 -0.056 0.000 2.319 388 E HA 0.526 4.875 4.350 -0.001 0.000 0.268 388 E C 1.758 178.394 176.600 0.060 0.000 1.050 388 E CA -0.601 55.807 56.400 0.013 0.000 0.878 388 E CB 0.969 30.688 29.700 0.031 0.000 1.066 388 E HN 0.245 nan 8.360 nan 0.000 0.406 389 L N 0.829 122.080 121.223 0.046 0.000 2.187 389 L HA -0.179 4.161 4.340 -0.001 0.000 0.213 389 L C 2.108 179.018 176.870 0.067 0.000 1.100 389 L CA 1.158 56.027 54.840 0.049 0.000 0.765 389 L CB -0.267 41.810 42.059 0.030 0.000 0.904 389 L HN 0.470 nan 8.230 nan 0.000 0.437 390 T N -1.871 112.730 114.554 0.078 0.000 3.113 390 T HA -0.073 4.276 4.350 -0.001 0.000 0.256 390 T C 0.313 175.077 174.700 0.106 0.000 1.131 390 T CA -0.212 61.932 62.100 0.074 0.000 1.074 390 T CB -0.200 68.703 68.868 0.059 0.000 0.944 390 T HN 0.108 nan 8.240 nan 0.000 0.516 391 Y N 2.285 122.587 120.300 0.003 0.000 2.620 391 Y HA 0.386 4.935 4.550 -0.001 0.000 0.330 391 Y C 0.201 176.105 175.900 0.007 0.000 1.186 391 Y CA -0.323 57.780 58.100 0.005 0.000 1.467 391 Y CB 0.322 38.785 38.460 0.004 0.000 1.262 391 Y HN -0.049 nan 8.280 nan 0.000 0.550 392 S N 5.090 120.466 115.700 -0.540 0.000 2.575 392 S HA 0.705 5.175 4.470 -0.001 0.000 0.278 392 S C -2.000 172.317 174.600 -0.472 0.000 1.139 392 S CA -0.693 57.275 58.200 -0.387 0.000 0.954 392 S CB 0.800 63.895 63.200 -0.175 0.000 1.054 392 S HN 0.480 nan 8.310 nan 0.000 0.483 393 V N 4.779 124.501 119.914 -0.320 0.000 2.443 393 V HA 0.712 4.831 4.120 -0.001 0.000 0.293 393 V C -0.008 176.062 176.094 -0.041 0.000 1.021 393 V CA -0.409 61.782 62.300 -0.181 0.000 0.848 393 V CB 1.469 33.209 31.823 -0.138 0.000 0.998 393 V HN 1.029 nan 8.190 nan 0.000 0.424 394 T N 1.877 116.431 114.554 0.000 0.000 2.883 394 T HA 0.882 5.231 4.350 -0.001 0.000 0.296 394 T C -0.998 173.784 174.700 0.138 0.000 1.117 394 T CA -0.799 61.323 62.100 0.037 0.000 1.006 394 T CB 2.344 71.181 68.868 -0.051 0.000 1.191 394 T HN 0.806 nan 8.240 nan 0.000 0.508 395 Y N -1.821 118.472 120.300 -0.013 0.000 2.625 395 Y HA 0.741 5.291 4.550 -0.001 0.000 0.338 395 Y C -0.923 174.968 175.900 -0.015 0.000 1.123 395 Y CA -1.252 56.841 58.100 -0.012 0.000 1.046 395 Y CB 0.969 39.429 38.460 0.001 0.000 1.299 395 Y HN 0.653 nan 8.280 nan 0.000 0.464 396 T N 4.264 118.786 114.554 -0.052 0.000 2.727 396 T HA 0.370 4.719 4.350 -0.001 0.000 0.298 396 T C -2.786 171.888 174.700 -0.043 0.000 0.942 396 T CA -1.311 60.707 62.100 -0.136 0.000 0.997 396 T CB 0.614 69.455 68.868 -0.046 0.000 0.917 396 T HN 0.354 nan 8.240 nan 0.000 0.487 397 P HA 0.291 nan 4.420 nan 0.000 0.271 397 P C 0.996 178.330 177.300 0.058 0.000 1.226 397 P CA 0.396 63.533 63.100 0.061 0.000 0.765 397 P CB 0.443 32.127 31.700 -0.026 0.000 0.835 398 G N 2.247 111.100 108.800 0.090 0.000 2.143 398 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.248 398 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.248 398 G C 0.394 175.303 174.900 0.016 0.000 0.991 398 G CA -0.067 45.058 45.100 0.042 0.000 0.689 398 G HN 0.838 nan 8.290 nan 0.000 0.522 399 A N 0.119 122.949 122.820 0.017 0.000 2.450 399 A HA 0.735 5.055 4.320 -0.001 0.000 0.255 399 A C 1.640 179.209 177.584 -0.025 0.000 1.096 399 A CA 1.109 53.143 52.037 -0.006 0.000 0.778 399 A CB 0.457 19.455 19.000 -0.003 0.000 1.031 399 A HN 0.913 nan 8.150 nan 0.000 0.494 400 S N 1.010 116.693 115.700 -0.028 0.000 2.387 400 S HA -0.172 4.297 4.470 -0.001 0.000 0.230 400 S C 1.932 176.498 174.600 -0.057 0.000 1.035 400 S CA 2.252 60.429 58.200 -0.037 0.000 1.014 400 S CB -0.302 62.880 63.200 -0.030 0.000 0.836 400 S HN 1.017 nan 8.310 nan 0.000 0.466 401 T N -0.566 113.954 114.554 -0.058 0.000 3.100 401 T HA 0.158 4.508 4.350 -0.001 0.000 0.253 401 T C 0.423 175.058 174.700 -0.110 0.000 1.118 401 T CA -0.265 61.790 62.100 -0.075 0.000 1.058 401 T CB -0.253 68.581 68.868 -0.057 0.000 0.953 401 T HN 0.062 nan 8.240 nan 0.000 0.515 402 N N 2.494 121.127 118.700 -0.112 0.000 2.454 402 N HA 0.132 4.872 4.740 -0.001 0.000 0.260 402 N C 1.010 176.348 175.510 -0.285 0.000 1.218 402 N CA -0.017 52.930 53.050 -0.172 0.000 0.904 402 N CB 0.950 39.362 38.487 -0.124 0.000 1.065 402 N HN 0.362 nan 8.380 nan 0.000 0.462 403 K N 1.323 121.444 120.400 -0.466 0.000 2.305 403 K HA 0.024 4.343 4.320 -0.001 0.000 0.199 403 K C -0.082 175.947 176.600 -0.951 0.000 1.047 403 K CA 0.713 56.584 56.287 -0.694 0.000 0.976 403 K CB 0.158 32.146 32.500 -0.854 0.000 0.765 403 K HN 0.566 nan 8.250 nan 0.000 0.474 404 H N 0.662 119.371 119.070 -0.602 0.000 2.569 404 H HA 0.307 4.863 4.556 -0.001 0.000 0.357 404 H C -2.397 172.544 175.328 -0.644 0.000 1.153 404 H CA -2.769 52.716 56.048 -0.939 0.000 1.193 404 H CB 1.251 29.934 29.762 -1.800 0.000 1.602 404 H HN -0.100 nan 8.280 nan 0.000 0.523 405 P HA 0.004 nan 4.420 nan 0.000 0.272 405 P C 0.343 177.403 177.300 -0.401 0.000 1.240 405 P CA -0.274 62.581 63.100 -0.408 0.000 0.791 405 P CB 1.344 32.770 31.700 -0.457 0.000 0.978 406 D N 0.197 120.504 120.400 -0.155 0.000 2.123 406 D HA -0.154 4.486 4.640 -0.001 0.000 0.196 406 D C 1.948 178.243 176.300 -0.008 0.000 0.992 406 D CA 1.398 55.390 54.000 -0.014 0.000 0.833 406 D CB -0.521 40.369 40.800 0.149 0.000 0.954 406 D HN 0.607 nan 8.370 nan 0.000 0.455 407 W N 0.294 121.658 121.300 0.106 0.000 2.358 407 W HA -0.152 4.508 4.660 -0.001 0.000 0.303 407 W C 2.022 178.619 176.519 0.130 0.000 1.208 407 W CA 0.246 57.654 57.345 0.105 0.000 1.274 407 W CB -1.467 28.049 29.460 0.094 0.000 1.138 407 W HN 0.066 nan 8.180 nan 0.000 0.515 408 W N 3.593 124.478 121.300 -0.692 0.000 2.378 408 W HA -0.180 4.480 4.660 -0.001 0.000 0.313 408 W C 1.936 178.219 176.519 -0.392 0.000 1.197 408 W CA 1.847 58.821 57.345 -0.619 0.000 1.304 408 W CB -1.056 27.782 29.460 -1.037 0.000 1.148 408 W HN -0.097 nan 8.180 nan 0.000 0.494 409 N N 0.916 119.565 118.700 -0.086 0.000 2.120 409 N HA -0.208 4.532 4.740 -0.001 0.000 0.188 409 N C 1.529 176.788 175.510 -0.419 0.000 1.024 409 N CA 2.015 54.809 53.050 -0.427 0.000 0.852 409 N CB -0.820 36.967 38.487 -1.167 0.000 1.003 409 N HN 0.199 nan 8.380 nan 0.000 0.424 410 E N 1.419 121.479 120.200 -0.234 0.000 2.058 410 E HA -0.127 4.223 4.350 -0.001 0.000 0.194 410 E C 1.694 178.351 176.600 0.094 0.000 0.997 410 E CA 1.434 57.890 56.400 0.093 0.000 0.801 410 E CB -0.001 29.813 29.700 0.189 0.000 0.746 410 E HN 0.266 nan 8.360 nan 0.000 0.450 411 K N -0.691 119.755 120.400 0.076 0.000 2.063 411 K HA -0.114 4.205 4.320 -0.001 0.000 0.208 411 K C 2.101 178.719 176.600 0.030 0.000 1.048 411 K CA 1.434 57.756 56.287 0.059 0.000 0.928 411 K CB -0.171 32.354 32.500 0.042 0.000 0.713 411 K HN 0.016 nan 8.250 nan 0.000 0.442 412 V N 1.779 121.683 119.914 -0.016 0.000 2.270 412 V HA -0.252 3.868 4.120 -0.001 0.000 0.245 412 V C 2.366 178.509 176.094 0.082 0.000 1.043 412 V CA 1.568 63.867 62.300 -0.001 0.000 1.014 412 V CB -0.416 31.404 31.823 -0.005 0.000 0.645 412 V HN 0.332 nan 8.190 nan 0.000 0.447 413 K N 0.397 120.846 120.400 0.083 0.000 2.020 413 K HA -0.263 4.057 4.320 -0.001 0.000 0.212 413 K C 2.007 178.676 176.600 0.116 0.000 1.050 413 K CA 2.192 58.554 56.287 0.124 0.000 0.929 413 K CB -0.363 32.263 32.500 0.210 0.000 0.714 413 K HN 0.446 nan 8.250 nan 0.000 0.443 414 N N 0.471 119.242 118.700 0.119 0.000 2.084 414 N HA -0.145 4.595 4.740 -0.001 0.000 0.190 414 N C 1.081 176.659 175.510 0.113 0.000 1.030 414 N CA 0.884 53.997 53.050 0.106 0.000 0.849 414 N CB -0.819 37.733 38.487 0.107 0.000 1.012 414 N HN 0.416 nan 8.380 nan 0.000 0.423 419 H N 1.148 120.114 119.070 -0.174 0.000 2.380 419 H HA 0.270 4.826 4.556 -0.001 0.000 0.231 419 H C 0.027 175.250 175.328 -0.174 0.000 1.415 419 H CA -0.040 55.894 56.048 -0.190 0.000 1.433 419 H CB 0.792 30.330 29.762 -0.373 0.000 1.544 419 H HN 0.203 nan 8.280 nan 0.000 0.503 420 Q N 0.448 120.220 119.800 -0.045 0.000 2.378 420 Q HA -0.102 4.238 4.340 -0.001 0.000 0.205 420 Q C 1.006 176.965 176.000 -0.067 0.000 0.954 420 Q CA 1.012 56.762 55.803 -0.088 0.000 0.901 420 Q CB 0.451 29.095 28.738 -0.157 0.000 0.981 420 Q HN 0.527 nan 8.270 nan 0.000 0.483 421 E N 0.833 121.032 120.200 -0.001 0.000 2.274 421 E HA -0.095 4.254 4.350 -0.001 0.000 0.194 421 E C 0.002 176.636 176.600 0.056 0.000 0.996 421 E CA 0.682 57.097 56.400 0.025 0.000 0.840 421 E CB -0.104 29.630 29.700 0.056 0.000 0.772 421 E HN 0.195 nan 8.360 nan 0.000 0.491 422 D N 1.026 121.478 120.400 0.087 0.000 2.308 422 D HA 0.076 4.715 4.640 -0.001 0.000 0.251 422 D C -1.554 174.804 176.300 0.097 0.000 1.127 422 D CA -1.951 52.129 54.000 0.134 0.000 0.876 422 D CB 1.080 42.001 40.800 0.202 0.000 1.176 422 D HN -0.138 nan 8.370 nan 0.000 0.446 423 P HA 0.131 nan 4.420 nan 0.000 0.255 423 P C -0.344 177.007 177.300 0.085 0.000 1.248 423 P CA 0.099 63.244 63.100 0.075 0.000 0.807 423 P CB 0.332 32.067 31.700 0.058 0.000 1.150 424 L N 1.871 123.163 121.223 0.116 0.000 2.334 424 L HA 0.392 4.731 4.340 -0.001 0.000 0.276 424 L C -1.399 175.516 176.870 0.075 0.000 1.014 424 L CA -2.248 52.635 54.840 0.071 0.000 0.815 424 L CB 2.583 44.661 42.059 0.031 0.000 1.268 424 L HN -0.298 nan 8.230 nan 0.000 0.428 425 P HA 0.082 nan 4.420 nan 0.000 0.249 425 P C 0.201 177.360 177.300 -0.235 0.000 1.229 425 P CA 0.464 63.559 63.100 -0.008 0.000 0.788 425 P CB 0.329 32.036 31.700 0.012 0.000 1.072 426 I N 2.283 122.644 120.570 -0.349 0.000 2.416 426 I HA 0.201 4.371 4.170 -0.001 0.000 0.288 426 I C -2.112 173.511 176.117 -0.823 0.000 1.051 426 I CA -2.655 58.370 61.300 -0.459 0.000 1.375 426 I CB 0.448 38.279 38.000 -0.282 0.000 1.407 426 I HN -0.244 nan 8.210 nan 0.000 0.516 427 P HA -0.033 nan 4.420 nan 0.000 0.265 427 P C 0.276 177.354 177.300 -0.370 0.000 1.187 427 P CA 0.120 62.846 63.100 -0.623 0.000 0.766 427 P CB 0.297 31.856 31.700 -0.234 0.000 0.820 428 F N 1.050 120.915 119.950 -0.141 0.000 2.216 428 F HA -0.121 4.406 4.527 -0.001 0.000 0.300 428 F C 1.673 177.446 175.800 -0.044 0.000 1.085 428 F CA 1.499 59.452 58.000 -0.079 0.000 1.326 428 F CB -0.994 37.971 39.000 -0.058 0.000 1.027 428 F HN 0.407 nan 8.300 nan 0.000 0.497 429 E N -0.373 119.911 120.200 0.141 0.000 2.419 429 E HA 0.005 4.355 4.350 -0.001 0.000 0.190 429 E C -0.218 176.406 176.600 0.040 0.000 1.040 429 E CA -0.211 56.244 56.400 0.092 0.000 0.900 429 E CB -0.223 29.533 29.700 0.094 0.000 1.054 429 E HN 0.208 nan 8.360 nan 0.000 0.462 430 D N 2.411 122.816 120.400 0.008 0.000 2.425 430 D HA 0.040 4.679 4.640 -0.001 0.000 0.247 430 D C -2.278 174.046 176.300 0.039 0.000 1.147 430 D CA -1.638 52.356 54.000 -0.010 0.000 0.879 430 D CB 0.820 41.578 40.800 -0.071 0.000 1.179 430 D HN -0.141 nan 8.370 nan 0.000 0.456 431 P HA 0.091 nan 4.420 nan 0.000 0.272 431 P C -0.496 176.935 177.300 0.218 0.000 1.240 431 P CA -0.425 62.772 63.100 0.162 0.000 0.791 431 P CB 0.403 32.180 31.700 0.128 0.000 0.978 432 E N 1.972 122.327 120.200 0.258 0.000 2.392 432 E HA 0.195 4.544 4.350 -0.001 0.000 0.256 432 E C -2.378 174.254 176.600 0.054 0.000 1.145 432 E CA -1.997 54.471 56.400 0.115 0.000 0.929 432 E CB -1.119 28.620 29.700 0.065 0.000 0.998 432 E HN 0.275 nan 8.360 nan 0.000 0.442 433 P HA 0.077 nan 4.420 nan 0.000 0.275 433 P C -0.490 176.805 177.300 -0.007 0.000 1.228 433 P CA -0.055 63.107 63.100 0.103 0.000 0.786 433 P CB 0.509 32.229 31.700 0.033 0.000 0.927 434 Q N 1.272 121.167 119.800 0.159 0.000 3.484 434 Q HA 0.318 4.657 4.340 -0.001 0.000 0.255 434 Q C -0.942 175.151 176.000 0.156 0.000 0.909 434 Q CA -0.394 55.368 55.803 -0.068 0.000 0.774 434 Q CB 1.267 29.666 28.738 -0.565 0.000 1.431 434 Q HN 0.200 nan 8.270 nan 0.000 0.423 435 V N 0.672 120.635 119.914 0.082 0.000 2.581 435 V HA 0.694 4.813 4.120 -0.001 0.000 0.303 435 V C 0.149 176.260 176.094 0.028 0.000 1.041 435 V CA -0.369 61.973 62.300 0.070 0.000 0.907 435 V CB 2.035 33.839 31.823 -0.031 0.000 0.994 435 V HN 0.450 nan 8.190 nan 0.000 0.442 436 T N 1.836 116.440 114.554 0.083 0.000 2.900 436 T HA 0.501 4.851 4.350 -0.001 0.000 0.303 436 T C -0.862 173.824 174.700 -0.023 0.000 1.142 436 T CA -0.329 61.777 62.100 0.009 0.000 1.007 436 T CB 1.855 70.706 68.868 -0.029 0.000 1.156 436 T HN 0.825 nan 8.240 nan 0.000 0.490 437 T N 4.594 118.998 114.554 -0.250 0.000 2.809 437 T HA 0.590 4.940 4.350 -0.001 0.000 0.296 437 T C -0.115 174.468 174.700 -0.195 0.000 1.015 437 T CA -0.611 61.184 62.100 -0.510 0.000 0.954 437 T CB -0.260 67.869 68.868 -1.231 0.000 0.950 437 T HN 0.506 nan 8.240 nan 0.000 0.450 438 L N 4.535 125.715 121.223 -0.070 0.000 2.452 438 L HA 0.392 4.732 4.340 -0.001 0.000 0.267 438 L C 0.814 177.700 176.870 0.027 0.000 1.188 438 L CA -0.913 53.968 54.840 0.069 0.000 0.821 438 L CB 0.261 42.350 42.059 0.049 0.000 1.102 438 L HN 0.651 nan 8.230 nan 0.000 0.470 439 F N 2.592 122.477 119.950 -0.107 0.000 2.604 439 F HA -0.113 4.413 4.527 -0.001 0.000 0.390 439 F C 0.312 175.867 175.800 -0.408 0.000 1.053 439 F CA 0.651 58.493 58.000 -0.263 0.000 1.256 439 F CB 0.184 39.077 39.000 -0.179 0.000 0.996 439 F HN 0.424 nan 8.300 nan 0.000 0.564 440 Q N 6.484 125.733 119.800 -0.918 0.000 2.462 440 Q HA 0.255 4.595 4.340 -0.001 0.000 0.285 440 Q C -1.977 173.507 176.000 -0.860 0.000 1.035 440 Q CA -1.826 53.529 55.803 -0.747 0.000 0.799 440 Q CB 1.489 29.674 28.738 -0.921 0.000 1.452 440 Q HN 0.249 nan 8.270 nan 0.000 0.404 441 P HA -0.153 nan 4.420 nan 0.000 0.219 441 P C 1.035 178.087 177.300 -0.414 0.000 1.146 441 P CA 1.661 64.535 63.100 -0.376 0.000 0.808 441 P CB 0.356 31.947 31.700 -0.182 0.000 0.779 442 S N -1.634 113.812 115.700 -0.424 0.000 2.548 442 S HA -0.026 4.443 4.470 -0.001 0.000 0.215 442 S C 0.702 175.082 174.600 -0.367 0.000 0.976 442 S CA -0.230 57.803 58.200 -0.279 0.000 0.908 442 S CB -0.810 62.335 63.200 -0.092 0.000 0.781 442 S HN 0.325 nan 8.310 nan 0.000 0.519 443 H N -0.208 118.376 119.070 -0.810 0.000 2.538 443 H HA 0.408 4.964 4.556 -0.001 0.000 0.239 443 H C -3.408 170.772 175.328 -1.913 0.000 1.401 443 H CA -1.920 53.203 56.048 -1.542 0.000 1.499 443 H CB 0.149 29.284 29.762 -1.045 0.000 1.624 443 H HN 0.153 nan 8.280 nan 0.000 0.524 444 P HA 0.092 nan 4.420 nan 0.000 0.230 444 P C -1.006 175.829 177.300 -0.775 0.000 1.791 444 P CA 0.257 62.334 63.100 -1.706 0.000 1.020 444 P CB -1.166 29.990 31.700 -0.905 0.000 1.977 445 W N -0.141 120.929 121.300 -0.383 0.000 3.296 445 W HA 0.499 5.159 4.660 -0.001 0.000 0.314 445 W C -0.788 175.846 176.519 0.192 0.000 1.238 445 W CA -1.288 56.112 57.345 0.092 0.000 1.193 445 W CB 0.050 29.552 29.460 0.071 0.000 1.383 445 W HN 0.001 nan 8.180 nan 0.000 0.545 446 H N 1.349 120.683 119.070 0.440 0.000 2.615 446 H HA 0.611 5.167 4.556 -0.001 0.000 0.363 446 H C 0.024 175.477 175.328 0.208 0.000 1.148 446 H CA 0.670 56.872 56.048 0.257 0.000 1.401 446 H CB 1.271 31.120 29.762 0.145 0.000 1.461 446 H HN 0.560 nan 8.280 nan 0.000 0.588 447 T N 1.965 116.266 114.554 -0.421 0.000 2.863 447 T HA 0.507 4.856 4.350 -0.001 0.000 0.285 447 T C -0.619 173.809 174.700 -0.453 0.000 1.009 447 T CA -1.117 60.706 62.100 -0.461 0.000 0.989 447 T CB 1.614 70.138 68.868 -0.572 0.000 1.004 447 T HN 0.647 nan 8.240 nan 0.000 0.455 448 Q N 1.668 121.415 119.800 -0.089 0.000 2.292 448 Q HA 0.538 4.878 4.340 -0.001 0.000 0.270 448 Q C -1.241 174.711 176.000 -0.080 0.000 1.024 448 Q CA -0.592 55.073 55.803 -0.230 0.000 0.768 448 Q CB 2.277 30.757 28.738 -0.431 0.000 1.250 448 Q HN 0.703 nan 8.270 nan 0.000 0.447 449 I N 4.010 124.483 120.570 -0.162 0.000 2.428 449 I HA 0.344 4.514 4.170 -0.001 0.000 0.279 449 I C -0.259 175.784 176.117 -0.122 0.000 1.040 449 I CA -0.189 60.906 61.300 -0.341 0.000 1.171 449 I CB 0.282 37.917 38.000 -0.609 0.000 1.312 449 I HN 0.711 nan 8.210 nan 0.000 0.470 450 H N 3.503 122.426 119.070 -0.245 0.000 3.054 450 H HA 0.656 5.212 4.556 -0.001 0.000 0.271 450 H C -0.977 174.296 175.328 -0.092 0.000 1.551 450 H CA -1.368 54.595 56.048 -0.142 0.000 1.196 450 H CB 1.383 31.086 29.762 -0.098 0.000 1.867 450 H HN 0.074 nan 8.280 nan 0.000 0.637 451 R N 1.509 121.862 120.500 -0.245 0.000 2.412 451 R HA 0.219 4.558 4.340 -0.001 0.000 0.304 451 R C -1.305 174.823 176.300 -0.286 0.000 1.066 451 R CA -0.657 55.286 56.100 -0.262 0.000 0.923 451 R CB 1.280 31.545 30.300 -0.058 0.000 1.156 451 R HN 0.680 nan 8.270 nan 0.000 0.513 452 D N 1.253 121.406 120.400 -0.411 0.000 2.339 452 D HA 0.206 4.846 4.640 -0.001 0.000 0.245 452 D C 0.906 177.277 176.300 0.118 0.000 1.115 452 D CA 0.048 53.952 54.000 -0.160 0.000 0.917 452 D CB 1.722 42.481 40.800 -0.069 0.000 1.192 452 D HN 0.493 nan 8.370 nan 0.000 0.428 453 A N 4.225 127.135 122.820 0.152 0.000 1.898 453 A HA -0.102 4.218 4.320 -0.001 0.000 0.216 453 A C 1.304 179.142 177.584 0.423 0.000 1.181 453 A CA 0.538 52.745 52.037 0.284 0.000 0.620 453 A CB -0.582 18.563 19.000 0.242 0.000 0.819 453 A HN 0.660 nan 8.150 nan 0.000 0.442 454 F N 0.501 120.535 119.950 0.140 0.000 2.640 454 F HA 0.163 4.689 4.527 -0.001 0.000 0.329 454 F C 1.499 177.318 175.800 0.033 0.000 1.224 454 F CA 1.000 59.034 58.000 0.057 0.000 1.373 454 F CB 0.331 39.324 39.000 -0.012 0.000 1.129 454 F HN 0.270 nan 8.300 nan 0.000 0.610 455 S N 2.245 117.628 115.700 -0.527 0.000 3.356 455 S HA -0.279 4.191 4.470 -0.001 0.000 0.376 455 S C -1.108 173.358 174.600 -0.222 0.000 0.924 455 S CA 0.267 58.217 58.200 -0.417 0.000 1.316 455 S CB -1.616 61.311 63.200 -0.456 0.000 0.922 455 S HN 0.547 nan 8.310 nan 0.000 0.553 456 Y N 0.898 121.107 120.300 -0.152 0.000 2.335 456 Y HA 0.658 5.207 4.550 -0.001 0.000 0.338 456 Y C 0.958 176.814 175.900 -0.074 0.000 0.977 456 Y CA 0.337 58.397 58.100 -0.065 0.000 1.114 456 Y CB 2.179 40.625 38.460 -0.023 0.000 1.182 456 Y HN 0.605 nan 8.280 nan 0.000 0.463 457 G N 0.751 109.579 108.800 0.047 0.000 2.690 457 G HA2 0.630 4.590 3.960 -0.001 0.000 0.293 457 G HA3 0.630 4.590 3.960 -0.001 0.000 0.293 457 G C -1.652 173.269 174.900 0.036 0.000 1.399 457 G CA -0.787 44.325 45.100 0.020 0.000 0.890 457 G HN 0.717 nan 8.290 nan 0.000 0.485 458 A N 0.801 123.639 122.820 0.030 0.000 3.258 458 A HA 0.559 4.879 4.320 -0.001 0.000 0.318 458 A C 0.669 178.265 177.584 0.019 0.000 0.990 458 A CA 0.178 52.236 52.037 0.035 0.000 0.885 458 A CB 0.090 19.117 19.000 0.046 0.000 1.090 458 A HN 1.734 nan 8.150 nan 0.000 0.479 459 V N -2.212 117.709 119.914 0.012 0.000 3.431 459 V HA 0.083 4.203 4.120 -0.001 0.000 0.255 459 V C 1.341 177.440 176.094 0.008 0.000 1.403 459 V CA 1.014 63.319 62.300 0.008 0.000 1.101 459 V CB -0.369 31.455 31.823 0.002 0.000 0.891 459 V HN 0.656 nan 8.190 nan 0.000 0.446 460 Q N 2.101 121.905 119.800 0.007 0.000 2.280 460 Q HA 0.044 4.383 4.340 -0.001 0.000 0.201 460 Q C 1.591 177.599 176.000 0.012 0.000 0.890 460 Q CA 0.629 56.436 55.803 0.006 0.000 0.947 460 Q CB -0.029 28.708 28.738 -0.002 0.000 1.081 460 Q HN 0.867 nan 8.270 nan 0.000 0.502 461 Q N 0.111 119.924 119.800 0.022 0.000 2.387 461 Q HA 0.117 4.456 4.340 -0.001 0.000 0.211 461 Q C 1.140 177.157 176.000 0.029 0.000 0.952 461 Q CA 0.533 56.357 55.803 0.035 0.000 0.957 461 Q CB 0.307 29.076 28.738 0.052 0.000 1.002 461 Q HN 0.135 nan 8.270 nan 0.000 0.502 462 S N -0.253 115.459 115.700 0.021 0.000 2.496 462 S HA 0.174 4.643 4.470 -0.001 0.000 0.224 462 S C 0.535 175.147 174.600 0.021 0.000 0.996 462 S CA -0.203 58.008 58.200 0.019 0.000 0.927 462 S CB 0.085 63.293 63.200 0.014 0.000 0.774 462 S HN 0.468 nan 8.310 nan 0.000 0.524 463 I N 2.022 122.605 120.570 0.022 0.000 2.353 463 I HA 0.183 4.352 4.170 -0.001 0.000 0.293 463 I C 0.193 176.330 176.117 0.032 0.000 0.992 463 I CA -0.558 60.756 61.300 0.023 0.000 1.268 463 I CB 1.031 39.040 38.000 0.016 0.000 1.387 463 I HN 0.085 nan 8.210 nan 0.000 0.478 464 D N 4.250 124.673 120.400 0.038 0.000 2.487 464 D HA -0.096 4.543 4.640 -0.001 0.000 0.243 464 D C 1.232 177.562 176.300 0.050 0.000 1.154 464 D CA 0.361 54.391 54.000 0.050 0.000 0.876 464 D CB 1.056 41.892 40.800 0.061 0.000 1.161 464 D HN 0.633 nan 8.370 nan 0.000 0.478 465 S N 4.328 120.066 115.700 0.062 0.000 2.419 465 S HA -0.190 4.280 4.470 -0.001 0.000 0.235 465 S C 1.698 176.331 174.600 0.056 0.000 1.019 465 S CA 1.027 59.268 58.200 0.068 0.000 0.982 465 S CB 0.059 63.320 63.200 0.101 0.000 0.789 465 S HN 0.537 nan 8.310 nan 0.000 0.490 466 R N 0.177 120.710 120.500 0.054 0.000 2.193 466 R HA 0.093 4.432 4.340 -0.001 0.000 0.229 466 R C 1.945 178.253 176.300 0.013 0.000 1.110 466 R CA 1.289 57.406 56.100 0.028 0.000 0.988 466 R CB -0.368 29.941 30.300 0.014 0.000 0.871 466 R HN 0.462 nan 8.270 nan 0.000 0.458 467 L N 0.264 121.500 121.223 0.022 0.000 2.418 467 L HA 0.105 4.445 4.340 -0.001 0.000 0.218 467 L C 0.703 177.588 176.870 0.026 0.000 1.125 467 L CA 0.247 55.099 54.840 0.020 0.000 0.835 467 L CB 0.029 42.100 42.059 0.021 0.000 0.953 467 L HN 0.054 nan 8.230 nan 0.000 0.454 468 I N 0.332 120.915 120.570 0.022 0.000 2.365 468 I HA 0.237 4.407 4.170 -0.001 0.000 0.291 468 I C -0.599 175.525 176.117 0.011 0.000 1.004 468 I CA -0.364 60.947 61.300 0.018 0.000 1.311 468 I CB 1.634 39.630 38.000 -0.006 0.000 1.401 468 I HN -0.284 nan 8.210 nan 0.000 0.491 469 V N 4.885 124.823 119.914 0.040 0.000 2.709 469 V HA 0.327 4.446 4.120 -0.001 0.000 0.308 469 V C -0.747 175.345 176.094 -0.003 0.000 1.062 469 V CA -0.900 61.392 62.300 -0.015 0.000 0.901 469 V CB 2.082 33.897 31.823 -0.013 0.000 1.003 469 V HN 0.573 nan 8.190 nan 0.000 0.425 470 D N 2.389 122.728 120.400 -0.101 0.000 2.264 470 D HA 0.457 5.097 4.640 -0.001 0.000 0.249 470 D C -0.996 175.253 176.300 -0.083 0.000 1.070 470 D CA 0.125 54.116 54.000 -0.014 0.000 0.912 470 D CB 1.356 42.155 40.800 -0.001 0.000 1.193 470 D HN 0.468 nan 8.370 nan 0.000 0.427 471 W N 1.191 122.488 121.300 -0.005 0.000 2.619 471 W HA 0.415 5.075 4.660 -0.001 0.000 0.327 471 W C 0.127 176.706 176.519 0.099 0.000 1.027 471 W CA -0.824 56.551 57.345 0.050 0.000 1.233 471 W CB 1.305 30.671 29.460 -0.157 0.000 1.370 471 W HN -0.078 nan 8.180 nan 0.000 0.453 472 R N 3.051 123.816 120.500 0.441 0.000 2.451 472 R HA 0.499 4.839 4.340 -0.001 0.000 0.307 472 R C -1.546 175.005 176.300 0.420 0.000 0.965 472 R CA -0.877 55.393 56.100 0.284 0.000 0.865 472 R CB 1.581 32.012 30.300 0.218 0.000 1.174 472 R HN 0.168 nan 8.270 nan 0.000 0.455 473 F N 3.262 123.120 119.950 -0.154 0.000 2.444 473 F HA 0.476 5.002 4.527 -0.001 0.000 0.342 473 F C -0.329 175.397 175.800 -0.124 0.000 1.121 473 F CA -1.496 56.489 58.000 -0.025 0.000 0.997 473 F CB 1.022 39.947 39.000 -0.126 0.000 1.130 473 F HN 0.295 nan 8.300 nan 0.000 0.454 474 F N 1.527 121.665 119.950 0.314 0.000 2.426 474 F HA 0.658 5.184 4.527 -0.001 0.000 0.348 474 F C 0.732 176.726 175.800 0.323 0.000 1.124 474 F CA -1.194 56.985 58.000 0.298 0.000 1.008 474 F CB 1.211 40.434 39.000 0.371 0.000 1.139 474 F HN 0.512 nan 8.300 nan 0.000 0.452 475 G N 2.249 111.272 108.800 0.371 0.000 2.502 475 G HA2 0.635 4.594 3.960 -0.001 0.000 0.305 475 G HA3 0.635 4.594 3.960 -0.001 0.000 0.305 475 G C -0.702 174.366 174.900 0.280 0.000 1.190 475 G CA -1.035 44.272 45.100 0.345 0.000 0.933 475 G HN 0.714 nan 8.290 nan 0.000 0.503 476 R N -1.210 119.446 120.500 0.260 0.000 2.643 476 R HA 0.731 5.070 4.340 -0.001 0.000 0.272 476 R C -1.142 175.227 176.300 0.115 0.000 0.995 476 R CA -0.660 55.513 56.100 0.122 0.000 1.032 476 R CB 1.371 31.755 30.300 0.139 0.000 1.126 476 R HN 0.291 nan 8.270 nan 0.000 0.505 477 T N 1.964 116.555 114.554 0.061 0.000 2.881 477 T HA 0.106 4.455 4.350 -0.001 0.000 0.291 477 T C -0.855 173.919 174.700 0.124 0.000 0.990 477 T CA -0.865 61.329 62.100 0.157 0.000 0.976 477 T CB 1.188 70.226 68.868 0.284 0.000 0.970 477 T HN 0.684 nan 8.240 nan 0.000 0.438 478 E N 4.065 124.344 120.200 0.132 0.000 2.465 478 E HA 0.080 4.429 4.350 -0.001 0.000 0.260 478 E C -2.470 174.219 176.600 0.149 0.000 0.980 478 E CA -1.522 54.952 56.400 0.122 0.000 0.927 478 E CB -0.015 29.749 29.700 0.107 0.000 0.934 478 E HN 0.202 nan 8.360 nan 0.000 0.459 479 P HA 0.104 nan 4.420 nan 0.000 0.271 479 P C -0.738 176.739 177.300 0.296 0.000 1.233 479 P CA 0.108 63.361 63.100 0.255 0.000 0.764 479 P CB 0.609 32.467 31.700 0.264 0.000 0.825 480 K N 2.610 123.132 120.400 0.203 0.000 2.422 480 K HA 0.183 4.503 4.320 -0.001 0.000 0.251 480 K C 0.914 177.375 176.600 -0.232 0.000 0.933 480 K CA -0.716 55.604 56.287 0.055 0.000 0.798 480 K CB 2.425 34.916 32.500 -0.015 0.000 1.238 480 K HN 0.431 nan 8.250 nan 0.000 0.428 481 E N 1.834 121.766 120.200 -0.447 0.000 2.153 481 E HA -0.197 4.153 4.350 -0.001 0.000 0.194 481 E C 1.094 177.459 176.600 -0.392 0.000 0.988 481 E CA 1.323 57.226 56.400 -0.828 0.000 0.811 481 E CB 0.506 29.883 29.700 -0.539 0.000 0.746 481 E HN 0.527 nan 8.360 nan 0.000 0.466 482 E N 0.428 120.499 120.200 -0.216 0.000 2.274 482 E HA -0.118 4.232 4.350 -0.001 0.000 0.194 482 E C 0.065 176.615 176.600 -0.083 0.000 0.996 482 E CA 0.355 56.679 56.400 -0.126 0.000 0.840 482 E CB -0.343 29.296 29.700 -0.101 0.000 0.772 482 E HN 0.061 nan 8.360 nan 0.000 0.491 483 N N 2.285 120.931 118.700 -0.090 0.000 2.399 483 N HA 0.132 4.871 4.740 -0.001 0.000 0.259 483 N C -0.640 174.952 175.510 0.136 0.000 1.160 483 N CA 0.286 53.346 53.050 0.016 0.000 0.946 483 N CB 0.888 39.377 38.487 0.002 0.000 1.156 483 N HN 0.155 nan 8.380 nan 0.000 0.489 484 K N 1.167 121.692 120.400 0.207 0.000 2.375 484 K HA 0.473 4.792 4.320 -0.001 0.000 0.249 484 K C -0.948 175.816 176.600 0.274 0.000 0.942 484 K CA -0.986 55.441 56.287 0.233 0.000 0.806 484 K CB 2.370 35.012 32.500 0.236 0.000 1.227 484 K HN 0.166 nan 8.250 nan 0.000 0.430 485 L N 3.811 125.143 121.223 0.181 0.000 2.298 485 L HA 0.552 4.892 4.340 -0.001 0.000 0.284 485 L C -1.224 175.583 176.870 -0.105 0.000 1.013 485 L CA -0.093 54.687 54.840 -0.100 0.000 0.824 485 L CB 0.511 42.520 42.059 -0.084 0.000 1.221 485 L HN 0.723 nan 8.230 nan 0.000 0.418 486 W N 3.682 124.698 121.300 -0.474 0.000 3.017 486 W HA 0.660 5.320 4.660 -0.001 0.000 0.341 486 W C -2.165 173.907 176.519 -0.744 0.000 1.180 486 W CA -1.276 55.843 57.345 -0.378 0.000 1.097 486 W CB 0.898 30.296 29.460 -0.103 0.000 1.468 486 W HN 0.351 nan 8.180 nan 0.000 0.584 487 F N 1.409 121.552 119.950 0.321 0.000 2.539 487 F HA 0.331 4.858 4.527 -0.001 0.000 0.318 487 F C 0.759 176.724 175.800 0.275 0.000 1.135 487 F CA -0.947 57.120 58.000 0.110 0.000 0.915 487 F CB 2.071 41.116 39.000 0.076 0.000 1.176 487 F HN 0.243 nan 8.300 nan 0.000 0.440 488 S N 1.242 117.092 115.700 0.250 0.000 2.560 488 S HA 0.010 4.480 4.470 -0.001 0.000 0.284 488 S C 0.855 175.607 174.600 0.252 0.000 1.327 488 S CA -0.382 57.991 58.200 0.289 0.000 1.055 488 S CB 0.353 63.627 63.200 0.123 0.000 0.868 488 S HN 0.709 nan 8.310 nan 0.000 0.506 489 D N 3.173 123.709 120.400 0.225 0.000 2.349 489 D HA 0.073 4.712 4.640 -0.001 0.000 0.215 489 D C 0.979 177.344 176.300 0.108 0.000 1.016 489 D CA 0.612 54.700 54.000 0.147 0.000 0.870 489 D CB 0.187 41.057 40.800 0.116 0.000 0.917 489 D HN 0.412 nan 8.370 nan 0.000 0.524 490 K N -0.367 120.099 120.400 0.111 0.000 2.380 490 K HA 0.228 4.547 4.320 -0.001 0.000 0.200 490 K C 0.467 177.110 176.600 0.072 0.000 1.201 490 K CA -0.165 56.171 56.287 0.081 0.000 0.916 490 K CB 0.954 33.501 32.500 0.078 0.000 1.187 490 K HN 0.109 nan 8.250 nan 0.000 0.498 491 I N 2.981 123.597 120.570 0.077 0.000 2.395 491 I HA 0.016 4.186 4.170 -0.001 0.000 0.289 491 I C 0.486 176.639 176.117 0.060 0.000 1.023 491 I CA 0.038 61.372 61.300 0.057 0.000 1.350 491 I CB 1.429 39.453 38.000 0.040 0.000 1.409 491 I HN 0.125 nan 8.210 nan 0.000 0.507 492 T N 0.997 115.582 114.554 0.053 0.000 2.940 492 T HA 0.628 4.977 4.350 -0.001 0.000 0.288 492 T C -0.423 174.313 174.700 0.060 0.000 1.033 492 T CA -1.016 61.122 62.100 0.062 0.000 1.033 492 T CB 1.701 70.600 68.868 0.052 0.000 1.079 492 T HN 0.529 nan 8.240 nan 0.000 0.496 493 D N 0.857 121.309 120.400 0.087 0.000 2.469 493 D HA 0.456 5.096 4.640 -0.001 0.000 0.278 493 D C 1.508 177.845 176.300 0.062 0.000 1.231 493 D CA -0.507 53.550 54.000 0.095 0.000 1.075 493 D CB -0.131 40.767 40.800 0.164 0.000 1.121 493 D HN 0.633 nan 8.370 nan 0.000 0.571 494 A N -1.600 121.245 122.820 0.041 0.000 2.168 494 A HA -0.052 4.267 4.320 -0.001 0.000 0.215 494 A C 1.007 178.413 177.584 -0.296 0.000 1.152 494 A CA 0.655 52.619 52.037 -0.122 0.000 0.716 494 A CB -0.917 17.977 19.000 -0.176 0.000 0.794 494 A HN 0.535 nan 8.150 nan 0.000 0.465 495 Y N -0.531 119.786 120.300 0.029 0.000 2.607 495 Y HA 0.253 4.803 4.550 -0.001 0.000 0.266 495 Y C 0.431 176.348 175.900 0.028 0.000 1.178 495 Y CA -0.387 57.732 58.100 0.031 0.000 1.226 495 Y CB -0.210 38.255 38.460 0.008 0.000 1.144 495 Y HN 0.373 nan 8.280 nan 0.000 0.528 499 Q N 4.748 124.645 119.800 0.162 0.000 2.244 499 Q HA 0.239 4.578 4.340 -0.001 0.000 0.278 499 Q C -2.066 173.899 176.000 -0.059 0.000 1.093 499 Q CA -0.922 54.924 55.803 0.072 0.000 0.916 499 Q CB 0.408 29.142 28.738 -0.006 0.000 1.159 499 Q HN 0.155 nan 8.270 nan 0.000 0.384 500 P HA 0.036 nan 4.420 nan 0.000 0.268 500 P C -0.991 175.816 177.300 -0.823 0.000 1.205 500 P CA 0.029 62.714 63.100 -0.693 0.000 0.771 500 P CB 0.910 32.311 31.700 -0.498 0.000 0.858 501 T N 3.254 117.082 114.554 -1.211 0.000 2.921 501 T HA 0.493 4.843 4.350 -0.001 0.000 0.297 501 T C -0.642 173.376 174.700 -1.135 0.000 1.013 501 T CA -0.150 61.244 62.100 -1.178 0.000 0.990 501 T CB 0.568 68.385 68.868 -1.752 0.000 1.023 501 T HN 0.094 nan 8.240 nan 0.000 0.447 502 F N 1.874 121.547 119.950 -0.461 0.000 2.421 502 F HA 0.473 5.000 4.527 -0.001 0.000 0.337 502 F C 0.571 176.326 175.800 -0.076 0.000 1.105 502 F CA -0.734 57.127 58.000 -0.233 0.000 1.049 502 F CB 1.294 40.205 39.000 -0.149 0.000 1.139 502 F HN 0.387 nan 8.300 nan 0.000 0.479 503 D N 4.216 124.789 120.400 0.288 0.000 2.438 503 D HA 0.208 4.848 4.640 -0.001 0.000 0.257 503 D C -1.677 174.759 176.300 0.227 0.000 1.148 503 D CA -0.090 54.064 54.000 0.256 0.000 0.902 503 D CB 0.315 41.294 40.800 0.299 0.000 1.062 503 D HN 0.288 nan 8.370 nan 0.000 0.518 504 F N 2.762 122.706 119.950 -0.009 0.000 2.556 504 F HA 0.626 5.152 4.527 -0.001 0.000 0.314 504 F C -1.022 174.659 175.800 -0.198 0.000 1.106 504 F CA -0.807 57.117 58.000 -0.126 0.000 0.911 504 F CB 1.538 40.393 39.000 -0.242 0.000 1.190 504 F HN 0.052 nan 8.300 nan 0.000 0.448 505 R N 4.394 124.345 120.500 -0.914 0.000 2.621 505 R HA 0.474 4.813 4.340 -0.001 0.000 0.284 505 R C -1.650 174.024 176.300 -1.043 0.000 0.998 505 R CA -0.780 54.886 56.100 -0.725 0.000 0.895 505 R CB 1.092 31.194 30.300 -0.330 0.000 1.195 505 R HN 0.586 nan 8.270 nan 0.000 0.450 506 F N 4.836 124.538 119.950 -0.413 0.000 2.612 506 F HA 0.134 4.661 4.527 -0.001 0.000 0.389 506 F C -1.322 174.357 175.800 -0.203 0.000 1.055 506 F CA -0.666 57.203 58.000 -0.217 0.000 1.232 506 F CB 0.314 39.302 39.000 -0.019 0.000 1.044 506 F HN 0.305 nan 8.300 nan 0.000 0.560 507 P HA 0.127 nan 4.420 nan 0.000 0.271 507 P C -0.554 176.762 177.300 0.027 0.000 1.216 507 P CA -0.210 62.880 63.100 -0.016 0.000 0.771 507 P CB 0.703 32.408 31.700 0.008 0.000 0.864 508 A N 3.144 125.965 122.820 0.002 0.000 2.409 508 A HA 0.530 4.850 4.320 -0.001 0.000 0.246 508 A C 1.131 178.729 177.584 0.023 0.000 1.099 508 A CA 0.884 52.927 52.037 0.010 0.000 0.789 508 A CB -1.056 17.943 19.000 -0.002 0.000 1.053 508 A HN 0.829 nan 8.150 nan 0.000 0.503 509 G N -0.185 108.630 108.800 0.025 0.000 2.488 509 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.237 509 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.237 509 G C 0.967 175.895 174.900 0.047 0.000 1.209 509 G CA 0.691 45.811 45.100 0.034 0.000 0.929 509 G HN 0.965 nan 8.290 nan 0.000 0.578 510 R N -0.374 120.160 120.500 0.056 0.000 2.113 510 R HA -0.151 4.188 4.340 -0.001 0.000 0.244 510 R C 2.879 179.231 176.300 0.086 0.000 1.142 510 R CA 2.985 59.128 56.100 0.072 0.000 0.953 510 R CB -0.998 29.347 30.300 0.075 0.000 0.860 510 R HN 0.659 nan 8.270 nan 0.000 0.438 511 T N -0.015 114.592 114.554 0.088 0.000 2.665 511 T HA -0.140 4.210 4.350 -0.001 0.000 0.268 511 T C 1.939 176.676 174.700 0.062 0.000 1.035 511 T CA 1.903 64.062 62.100 0.098 0.000 1.151 511 T CB -0.205 68.740 68.868 0.128 0.000 0.862 511 T HN 0.299 nan 8.240 nan 0.000 0.438 512 S N 0.492 116.219 115.700 0.044 0.000 2.371 512 S HA -0.005 4.465 4.470 -0.001 0.000 0.224 512 S C 2.013 176.620 174.600 0.013 0.000 1.029 512 S CA 0.812 59.014 58.200 0.003 0.000 0.978 512 S CB -0.167 63.033 63.200 0.001 0.000 0.833 512 S HN 0.442 nan 8.310 nan 0.000 0.466 513 K N 1.248 121.673 120.400 0.042 0.000 2.026 513 K HA -0.131 4.189 4.320 -0.001 0.000 0.208 513 K C 2.030 178.686 176.600 0.093 0.000 1.048 513 K CA 1.411 57.733 56.287 0.058 0.000 0.929 513 K CB -0.133 32.405 32.500 0.065 0.000 0.713 513 K HN 0.354 nan 8.250 nan 0.000 0.439 514 E N -0.163 120.115 120.200 0.131 0.000 2.118 514 E HA -0.204 4.146 4.350 -0.001 0.000 0.195 514 E C 1.912 178.596 176.600 0.141 0.000 0.992 514 E CA 1.034 57.569 56.400 0.225 0.000 0.804 514 E CB -0.107 29.755 29.700 0.271 0.000 0.741 514 E HN 0.412 nan 8.360 nan 0.000 0.458 515 A N 1.279 124.148 122.820 0.082 0.000 1.908 515 A HA -0.254 4.066 4.320 -0.001 0.000 0.218 515 A C 2.087 179.744 177.584 0.121 0.000 1.181 515 A CA 1.730 53.815 52.037 0.079 0.000 0.627 515 A CB -0.374 18.626 19.000 0.000 0.000 0.818 515 A HN 0.099 nan 8.150 nan 0.000 0.445 516 E N 0.938 121.183 120.200 0.076 0.000 2.072 516 E HA -0.062 4.288 4.350 -0.001 0.000 0.190 516 E C 0.334 176.926 176.600 -0.013 0.000 0.982 516 E CA 0.507 56.949 56.400 0.070 0.000 0.803 516 E CB -0.337 29.385 29.700 0.037 0.000 0.755 516 E HN 0.551 nan 8.360 nan 0.000 0.453 527 A N 2.401 124.982 122.820 -0.398 0.000 2.125 527 A HA 0.075 4.395 4.320 -0.001 0.000 0.219 527 A C 1.945 179.423 177.584 -0.177 0.000 1.156 527 A CA 1.334 53.180 52.037 -0.318 0.000 0.671 527 A CB -0.468 18.370 19.000 -0.270 0.000 0.794 527 A HN 0.406 nan 8.150 nan 0.000 0.459 528 K N -0.347 119.996 120.400 -0.095 0.000 2.228 528 K HA 0.075 4.394 4.320 -0.001 0.000 0.202 528 K C 1.482 178.090 176.600 0.014 0.000 1.051 528 K CA 0.617 56.891 56.287 -0.022 0.000 0.960 528 K CB -0.188 32.337 32.500 0.041 0.000 0.743 528 K HN 0.465 nan 8.250 nan 0.000 0.458 529 I N -0.484 120.119 120.570 0.055 0.000 2.628 529 I HA 0.084 4.254 4.170 -0.001 0.000 0.255 529 I C 1.195 177.333 176.117 0.035 0.000 1.119 529 I CA 0.631 62.000 61.300 0.116 0.000 1.448 529 I CB -0.517 37.695 38.000 0.352 0.000 1.133 529 I HN 0.092 nan 8.210 nan 0.000 0.438 530 G N -0.709 108.061 108.800 -0.050 0.000 2.316 530 G HA2 0.422 4.382 3.960 -0.001 0.000 0.296 530 G HA3 0.422 4.382 3.960 -0.001 0.000 0.296 530 G C -0.659 174.096 174.900 -0.241 0.000 1.399 530 G CA -0.230 44.810 45.100 -0.100 0.000 0.833 530 G HN 0.303 nan 8.290 nan 0.000 0.565 531 G N -1.085 107.565 108.800 -0.250 0.000 2.537 531 G HA2 0.581 4.541 3.960 -0.001 0.000 0.273 531 G HA3 0.581 4.541 3.960 -0.001 0.000 0.273 531 G C -0.208 174.505 174.900 -0.312 0.000 1.189 531 G CA -0.561 44.292 45.100 -0.411 0.000 0.881 531 G HN 0.504 nan 8.290 nan 0.000 0.535 532 F N -0.471 119.383 119.950 -0.161 0.000 2.563 532 F HA 0.174 4.701 4.527 -0.001 0.000 0.363 532 F C 0.713 176.442 175.800 -0.118 0.000 1.123 532 F CA -0.755 57.142 58.000 -0.172 0.000 1.307 532 F CB 0.529 39.415 39.000 -0.190 0.000 1.115 532 F HN 0.182 nan 8.300 nan 0.000 0.592 533 L N 6.176 127.451 121.223 0.087 0.000 2.313 533 L HA 0.422 4.762 4.340 -0.001 0.000 0.282 533 L C -2.448 174.432 176.870 0.017 0.000 1.092 533 L CA -1.905 52.952 54.840 0.028 0.000 0.831 533 L CB 0.200 42.260 42.059 0.001 0.000 1.159 533 L HN 0.282 nan 8.230 nan 0.000 0.442 534 P HA 0.217 nan 4.420 nan 0.000 0.264 534 P C 0.577 177.870 177.300 -0.011 0.000 1.193 534 P CA 1.019 64.120 63.100 0.002 0.000 0.763 534 P CB 0.741 32.443 31.700 0.004 0.000 0.810 535 G N 2.197 110.984 108.800 -0.022 0.000 2.234 535 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.235 535 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.235 535 G C 0.512 175.401 174.900 -0.017 0.000 0.997 535 G CA 0.111 45.200 45.100 -0.019 0.000 0.623 535 G HN 0.510 nan 8.290 nan 0.000 0.514 536 S N 1.045 116.720 115.700 -0.042 0.000 2.422 536 S HA 0.543 5.013 4.470 -0.001 0.000 0.226 536 S C 0.382 174.853 174.600 -0.216 0.000 1.242 536 S CA -0.503 57.654 58.200 -0.072 0.000 1.231 536 S CB 0.253 63.405 63.200 -0.080 0.000 1.067 536 S HN 0.465 nan 8.310 nan 0.000 0.462 537 L N 2.744 123.834 121.223 -0.221 0.000 2.436 537 L HA 0.351 4.691 4.340 -0.001 0.000 0.265 537 L C -1.990 174.575 176.870 -0.507 0.000 1.168 537 L CA -2.187 52.406 54.840 -0.412 0.000 0.815 537 L CB -0.015 41.864 42.059 -0.300 0.000 1.109 537 L HN 0.087 nan 8.230 nan 0.000 0.462 538 P HA -0.022 nan 4.420 nan 0.000 0.262 538 P C -1.389 175.670 177.300 -0.402 0.000 1.182 538 P CA 0.164 62.879 63.100 -0.643 0.000 0.761 538 P CB 0.437 31.664 31.700 -0.789 0.000 0.795 539 Q N 1.346 120.951 119.800 -0.325 0.000 2.527 539 Q HA 0.454 4.793 4.340 -0.001 0.000 0.280 539 Q C -1.178 174.673 176.000 -0.247 0.000 0.977 539 Q CA -0.854 54.837 55.803 -0.187 0.000 0.837 539 Q CB 0.466 29.167 28.738 -0.062 0.000 1.454 539 Q HN 0.102 nan 8.270 nan 0.000 0.387 543 P HA 0.125 nan 4.420 nan 0.000 0.260 543 P C 0.823 178.069 177.300 -0.090 0.000 1.172 543 P CA 1.616 64.762 63.100 0.077 0.000 0.760 543 P CB 0.463 32.144 31.700 -0.032 0.000 0.773 544 G N 2.394 111.136 108.800 -0.097 0.000 2.258 544 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.233 544 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.233 544 G C 0.743 175.597 174.900 -0.077 0.000 1.006 544 G CA 0.154 45.147 45.100 -0.178 0.000 0.620 544 G HN 0.529 nan 8.290 nan 0.000 0.511 545 L N 1.305 122.509 121.223 -0.031 0.000 2.191 545 L HA 0.214 4.554 4.340 -0.001 0.000 0.212 545 L C 2.799 179.650 176.870 -0.032 0.000 1.103 545 L CA 2.416 57.251 54.840 -0.009 0.000 0.769 545 L CB -0.357 41.720 42.059 0.031 0.000 0.908 545 L HN 0.501 nan 8.230 nan 0.000 0.438 546 V N -0.138 119.760 119.914 -0.027 0.000 2.720 546 V HA -0.162 3.957 4.120 -0.001 0.000 0.256 546 V C 1.529 177.528 176.094 -0.158 0.000 1.082 546 V CA 1.063 63.322 62.300 -0.068 0.000 1.101 546 V CB -0.334 31.497 31.823 0.012 0.000 0.693 546 V HN 0.488 nan 8.190 nan 0.000 0.479 547 L N 0.183 121.378 121.223 -0.046 0.000 3.597 547 L HA -0.244 4.095 4.340 -0.001 0.000 0.440 547 L C 0.270 177.262 176.870 0.203 0.000 1.277 547 L CA 0.890 55.754 54.840 0.040 0.000 0.852 547 L CB -2.450 39.634 42.059 0.042 0.000 1.708 547 L HN 0.576 nan 8.230 nan 0.000 0.885 548 H N -0.748 118.418 119.070 0.161 0.000 2.549 548 H HA 0.270 4.826 4.556 -0.001 0.000 0.253 548 H C 0.393 175.859 175.328 0.230 0.000 1.170 548 H CA -1.052 55.137 56.048 0.235 0.000 0.943 548 H CB 0.792 30.742 29.762 0.313 0.000 1.849 548 H HN 0.190 nan 8.280 nan 0.000 0.603 549 L N 2.026 123.393 121.223 0.240 0.000 2.559 549 L HA 0.200 4.540 4.340 -0.001 0.000 0.274 549 L C 0.602 177.605 176.870 0.221 0.000 1.205 549 L CA 0.797 55.727 54.840 0.151 0.000 0.907 549 L CB 0.276 42.385 42.059 0.083 0.000 1.153 549 L HN 0.310 nan 8.230 nan 0.000 0.490 550 G N 1.953 110.898 108.800 0.242 0.000 2.730 550 G HA2 0.545 4.505 3.960 -0.001 0.000 0.289 550 G HA3 0.545 4.505 3.960 -0.001 0.000 0.289 550 G C 0.321 175.327 174.900 0.177 0.000 1.341 550 G CA -0.288 44.974 45.100 0.270 0.000 0.932 550 G HN 1.286 nan 8.290 nan 0.000 0.481 551 G N -1.192 107.678 108.800 0.118 0.000 2.179 551 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.260 551 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.260 551 G C 1.434 176.393 174.900 0.097 0.000 0.977 551 G CA 1.504 46.677 45.100 0.122 0.000 0.641 551 G HN 1.899 nan 8.290 nan 0.000 0.533 552 T N -1.742 112.821 114.554 0.015 0.000 2.929 552 T HA 0.067 4.417 4.350 -0.001 0.000 0.271 552 T C 1.117 175.893 174.700 0.126 0.000 1.085 552 T CA 1.999 64.147 62.100 0.080 0.000 1.125 552 T CB -0.353 68.579 68.868 0.107 0.000 0.874 552 T HN 1.556 nan 8.240 nan 0.000 0.494 553 H N -0.308 118.840 119.070 0.129 0.000 2.823 553 H HA 0.480 5.035 4.556 -0.001 0.000 0.222 553 H C 0.155 175.528 175.328 0.076 0.000 1.414 553 H CA -1.329 54.772 56.048 0.087 0.000 1.289 553 H CB -0.188 29.589 29.762 0.025 0.000 1.970 553 H HN 0.356 nan 8.280 nan 0.000 0.517 557 F N 0.084 120.143 119.950 0.182 0.000 2.293 557 F HA 0.258 4.785 4.527 -0.001 0.000 0.297 557 F C 1.215 177.154 175.800 0.232 0.000 1.089 557 F CA 1.188 59.298 58.000 0.184 0.000 1.377 557 F CB 0.593 39.654 39.000 0.100 0.000 1.051 557 F HN 0.313 nan 8.300 nan 0.000 0.511 558 D N -0.344 120.217 120.400 0.269 0.000 2.788 558 D HA 0.045 4.684 4.640 -0.001 0.000 0.247 558 D C 0.562 176.679 176.300 -0.304 0.000 1.236 558 D CA -0.087 53.894 54.000 -0.032 0.000 0.898 558 D CB 1.651 42.465 40.800 0.025 0.000 1.401 558 D HN 0.159 nan 8.370 nan 0.000 0.549 559 E N 2.846 122.510 120.200 -0.893 0.000 2.070 559 E HA -0.256 4.094 4.350 -0.001 0.000 0.197 559 E C 0.995 177.430 176.600 -0.274 0.000 1.004 559 E CA 1.584 57.512 56.400 -0.787 0.000 0.805 559 E CB 0.428 29.561 29.700 -0.944 0.000 0.744 559 E HN 0.302 nan 8.360 nan 0.000 0.451 560 K N 0.189 120.467 120.400 -0.203 0.000 2.021 560 K HA -0.055 4.264 4.320 -0.001 0.000 0.205 560 K C 2.133 178.705 176.600 -0.047 0.000 1.047 560 K CA 1.422 57.656 56.287 -0.088 0.000 0.943 560 K CB 0.081 32.541 32.500 -0.066 0.000 0.725 560 K HN 0.125 nan 8.250 nan 0.000 0.439 561 E N 0.560 120.734 120.200 -0.043 0.000 2.112 561 E HA -0.113 4.237 4.350 -0.001 0.000 0.190 561 E C 0.729 177.329 176.600 0.001 0.000 0.979 561 E CA 0.946 57.343 56.400 -0.005 0.000 0.814 561 E CB 0.070 29.778 29.700 0.013 0.000 0.762 561 E HN 0.368 nan 8.360 nan 0.000 0.460 562 D N 0.547 120.945 120.400 -0.003 0.000 2.349 562 D HA 0.029 4.669 4.640 -0.001 0.000 0.214 562 D C -0.531 175.717 176.300 -0.087 0.000 1.063 562 D CA -0.022 53.971 54.000 -0.011 0.000 0.847 562 D CB -0.022 40.808 40.800 0.051 0.000 0.933 562 D HN 0.094 nan 8.370 nan 0.000 0.513 563 N N 0.707 119.359 118.700 -0.079 0.000 2.667 563 N HA -0.182 4.557 4.740 -0.001 0.000 0.263 563 N C -0.318 175.144 175.510 -0.080 0.000 1.038 563 N CA 0.456 53.452 53.050 -0.090 0.000 0.749 563 N CB -1.535 36.832 38.487 -0.200 0.000 0.892 563 N HN 0.384 nan 8.380 nan 0.000 0.546 564 C N -3.229 116.089 119.300 0.031 0.000 3.259 564 C HA 0.779 5.238 4.460 -0.001 0.000 0.328 564 C C 1.423 176.588 174.990 0.291 0.000 1.425 564 C CA -0.694 58.412 59.018 0.146 0.000 1.465 564 C CB 1.549 29.403 27.740 0.190 0.000 1.890 564 C HN 0.533 nan 8.230 nan 0.000 0.450 565 C N 0.220 119.714 119.300 0.324 0.000 3.123 565 C HA 0.480 4.940 4.460 -0.001 0.000 0.399 565 C C 0.674 175.777 174.990 0.188 0.000 1.320 565 C CA 0.473 59.680 59.018 0.316 0.000 1.949 565 C CB -0.546 27.310 27.740 0.194 0.000 2.692 565 C HN 0.932 nan 8.230 nan 0.000 0.623 566 V N 1.132 121.047 119.914 0.001 0.000 2.914 566 V HA 0.702 4.821 4.120 -0.001 0.000 0.314 566 V C -0.684 175.043 176.094 -0.613 0.000 1.084 566 V CA -0.672 61.380 62.300 -0.413 0.000 0.963 566 V CB 1.472 33.175 31.823 -0.199 0.000 1.025 566 V HN 0.379 nan 8.190 nan 0.000 0.432 567 N N 0.989 119.158 118.700 -0.886 0.000 2.381 567 N HA 0.234 4.974 4.740 -0.001 0.000 0.289 567 N C 1.041 176.387 175.510 -0.273 0.000 1.288 567 N CA 0.332 53.084 53.050 -0.496 0.000 0.960 567 N CB -0.338 37.886 38.487 -0.439 0.000 1.116 567 N HN 0.929 nan 8.380 nan 0.000 0.557 568 T N -4.869 109.555 114.554 -0.217 0.000 3.118 568 T HA 0.045 4.394 4.350 -0.001 0.000 0.260 568 T C 0.168 174.771 174.700 -0.161 0.000 1.139 568 T CA 0.509 62.484 62.100 -0.209 0.000 1.085 568 T CB -0.342 68.393 68.868 -0.221 0.000 0.934 568 T HN 0.400 nan 8.240 nan 0.000 0.518 569 D N 1.240 121.540 120.400 -0.166 0.000 2.328 569 D HA 0.172 4.811 4.640 -0.001 0.000 0.221 569 D C 0.567 176.855 176.300 -0.019 0.000 1.072 569 D CA 0.127 54.050 54.000 -0.129 0.000 0.850 569 D CB 0.030 40.632 40.800 -0.330 0.000 0.922 569 D HN 0.321 nan 8.370 nan 0.000 0.516 570 S N 0.133 115.793 115.700 -0.066 0.000 3.476 570 S HA -0.252 4.217 4.470 -0.001 0.000 0.309 570 S C 0.543 175.133 174.600 -0.016 0.000 1.222 570 S CA 0.436 58.636 58.200 0.001 0.000 0.922 570 S CB -1.294 61.983 63.200 0.127 0.000 1.023 570 S HN 0.449 nan 8.310 nan 0.000 0.591 571 R N 1.037 121.410 120.500 -0.212 0.000 2.349 571 R HA 0.458 4.797 4.340 -0.001 0.000 0.299 571 R C -0.011 175.993 176.300 -0.493 0.000 1.027 571 R CA -0.440 55.367 56.100 -0.489 0.000 0.958 571 R CB 0.732 30.719 30.300 -0.522 0.000 1.047 571 R HN 0.144 nan 8.270 nan 0.000 0.468 572 V N 6.138 125.792 119.914 -0.434 0.000 2.529 572 V HA -0.015 4.104 4.120 -0.001 0.000 0.292 572 V C 0.193 176.232 176.094 -0.092 0.000 1.028 572 V CA 0.288 62.424 62.300 -0.272 0.000 1.074 572 V CB -0.150 31.489 31.823 -0.306 0.000 0.958 572 V HN 0.552 nan 8.190 nan 0.000 0.481 573 F N 3.929 123.922 119.950 0.071 0.000 2.629 573 F HA 0.369 4.896 4.527 -0.001 0.000 0.377 573 F C 1.602 177.533 175.800 0.218 0.000 1.101 573 F CA 1.580 59.646 58.000 0.110 0.000 1.301 573 F CB -0.099 38.958 39.000 0.094 0.000 1.062 573 F HN 0.789 nan 8.300 nan 0.000 0.583 574 G N 2.230 111.216 108.800 0.310 0.000 2.284 574 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.247 574 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.247 574 G C -0.046 174.785 174.900 -0.116 0.000 1.012 574 G CA -0.350 44.811 45.100 0.101 0.000 0.618 574 G HN 0.473 nan 8.290 nan 0.000 0.521 575 F N 0.967 120.939 119.950 0.038 0.000 2.436 575 F HA 0.552 5.078 4.527 -0.001 0.000 0.340 575 F C 1.336 177.113 175.800 -0.038 0.000 1.113 575 F CA -0.291 57.711 58.000 0.004 0.000 1.022 575 F CB 1.839 40.835 39.000 -0.006 0.000 1.128 575 F HN -0.006 nan 8.300 nan 0.000 0.466 576 K N 2.071 122.563 120.400 0.154 0.000 2.155 576 K HA -0.119 4.200 4.320 -0.001 0.000 0.203 576 K C 0.508 177.293 176.600 0.307 0.000 1.052 576 K CA 1.653 58.064 56.287 0.206 0.000 0.948 576 K CB 0.072 32.694 32.500 0.203 0.000 0.728 576 K HN 0.763 nan 8.250 nan 0.000 0.448 577 N N 0.451 119.286 118.700 0.224 0.000 2.307 577 N HA 0.051 4.791 4.740 -0.001 0.000 0.248 577 N C -0.960 174.575 175.510 0.042 0.000 1.322 577 N CA -0.467 52.739 53.050 0.260 0.000 0.861 577 N CB 0.107 38.822 38.487 0.381 0.000 1.303 577 N HN 0.063 nan 8.380 nan 0.000 0.498 578 L N 0.795 121.835 121.223 -0.306 0.000 2.325 578 L HA 0.686 5.025 4.340 -0.001 0.000 0.281 578 L C -1.659 174.769 176.870 -0.737 0.000 1.004 578 L CA -0.616 54.016 54.840 -0.346 0.000 0.823 578 L CB 0.678 42.540 42.059 -0.328 0.000 1.236 578 L HN -0.010 nan 8.230 nan 0.000 0.415 579 F N 4.943 124.797 119.950 -0.160 0.000 2.561 579 F HA 0.702 5.229 4.527 -0.001 0.000 0.321 579 F C -0.543 175.089 175.800 -0.279 0.000 1.065 579 F CA -0.807 57.078 58.000 -0.193 0.000 0.934 579 F CB 1.729 40.647 39.000 -0.137 0.000 1.215 579 F HN 0.170 nan 8.300 nan 0.000 0.471 580 L N 1.612 122.786 121.223 -0.081 0.000 2.386 580 L HA 0.854 5.194 4.340 -0.001 0.000 0.271 580 L C -0.165 176.698 176.870 -0.013 0.000 0.993 580 L CA -0.785 53.933 54.840 -0.202 0.000 0.819 580 L CB 2.002 43.788 42.059 -0.456 0.000 1.294 580 L HN 0.799 nan 8.230 nan 0.000 0.414 581 G N 0.417 109.228 108.800 0.017 0.000 2.519 581 G HA2 0.817 4.777 3.960 -0.001 0.000 0.307 581 G HA3 0.817 4.777 3.960 -0.001 0.000 0.307 581 G C -0.495 174.511 174.900 0.178 0.000 1.266 581 G CA -0.345 44.864 45.100 0.182 0.000 0.970 581 G HN 0.974 nan 8.290 nan 0.000 0.481 582 G N -1.319 107.581 108.800 0.166 0.000 2.354 582 G HA2 0.063 4.022 3.960 -0.001 0.000 0.582 582 G HA3 0.063 4.022 3.960 -0.001 0.000 0.582 582 G C 0.788 175.743 174.900 0.091 0.000 1.316 582 G CA 0.014 45.192 45.100 0.130 0.000 0.995 582 G HN 1.203 nan 8.290 nan 0.000 0.573 583 C N 0.576 119.907 119.300 0.051 0.000 2.409 583 C HA 0.149 4.608 4.460 -0.001 0.000 0.284 583 C C 3.095 178.070 174.990 -0.025 0.000 1.354 583 C CA 1.882 60.910 59.018 0.017 0.000 1.787 583 C CB -1.404 26.378 27.740 0.069 0.000 1.900 583 C HN 1.352 nan 8.230 nan 0.000 0.520 584 G N 1.338 110.044 108.800 -0.156 0.000 2.485 584 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.221 584 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.221 584 G C 1.400 175.882 174.900 -0.696 0.000 1.115 584 G CA 0.968 45.641 45.100 -0.712 0.000 0.751 584 G HN 0.574 nan 8.290 nan 0.000 0.567 585 N N 0.361 118.950 118.700 -0.185 0.000 2.331 585 N HA 0.016 4.755 4.740 -0.001 0.000 0.180 585 N C 0.915 176.441 175.510 0.028 0.000 1.019 585 N CA 0.197 53.268 53.050 0.035 0.000 0.881 585 N CB 0.003 38.555 38.487 0.109 0.000 0.972 585 N HN 0.319 nan 8.380 nan 0.000 0.435 586 I N 2.898 123.485 120.570 0.027 0.000 2.505 586 I HA 0.044 4.213 4.170 -0.001 0.000 0.287 586 I C -1.345 174.865 176.117 0.154 0.000 1.104 586 I CA -1.067 60.280 61.300 0.078 0.000 1.387 586 I CB 1.180 39.177 38.000 -0.005 0.000 1.404 586 I HN -0.062 nan 8.210 nan 0.000 0.528 587 P HA 0.062 nan 4.420 nan 0.000 0.264 587 P C 0.318 177.703 177.300 0.140 0.000 1.259 587 P CA 0.246 63.415 63.100 0.115 0.000 0.841 587 P CB 0.179 31.910 31.700 0.053 0.000 1.232 588 T N -2.171 112.495 114.554 0.188 0.000 2.884 588 T HA 0.682 5.032 4.350 -0.001 0.000 0.277 588 T C 0.180 174.983 174.700 0.173 0.000 0.976 588 T CA -0.870 61.322 62.100 0.154 0.000 0.956 588 T CB 0.916 69.850 68.868 0.111 0.000 1.113 588 T HN 0.045 nan 8.240 nan 0.000 0.554 589 A N 1.578 124.441 122.820 0.072 0.000 2.269 589 A HA 0.620 4.940 4.320 -0.001 0.000 0.302 589 A C -0.698 176.823 177.584 -0.105 0.000 1.266 589 A CA -0.905 51.122 52.037 -0.018 0.000 0.894 589 A CB -0.804 18.216 19.000 0.033 0.000 1.147 589 A HN 0.868 nan 8.150 nan 0.000 0.537 590 Y N -0.226 119.962 120.300 -0.186 0.000 2.499 590 Y HA 0.719 5.269 4.550 -0.001 0.000 0.347 590 Y C 0.723 176.447 175.900 -0.294 0.000 0.987 590 Y CA -0.630 57.164 58.100 -0.510 0.000 1.044 590 Y CB 1.475 39.434 38.460 -0.836 0.000 1.245 590 Y HN 0.401 nan 8.280 nan 0.000 0.461 591 G N 0.799 109.445 108.800 -0.257 0.000 2.651 591 G HA2 0.375 4.334 3.960 -0.001 0.000 0.207 591 G HA3 0.375 4.334 3.960 -0.001 0.000 0.207 591 G C 0.468 175.401 174.900 0.055 0.000 1.131 591 G CA 0.181 45.340 45.100 0.098 0.000 0.816 591 G HN 0.953 nan 8.290 nan 0.000 0.534 592 A N 0.826 123.489 122.820 -0.261 0.000 2.346 592 A HA 0.450 4.769 4.320 -0.001 0.000 0.252 592 A C 0.004 177.462 177.584 -0.210 0.000 1.089 592 A CA -0.505 51.281 52.037 -0.418 0.000 0.797 592 A CB -0.027 18.745 19.000 -0.381 0.000 1.047 592 A HN 0.378 nan 8.150 nan 0.000 0.494 593 N N 1.920 120.379 118.700 -0.402 0.000 2.359 593 N HA 0.152 4.892 4.740 -0.001 0.000 0.261 593 N C -1.973 173.435 175.510 -0.171 0.000 1.267 593 N CA -0.553 52.251 53.050 -0.410 0.000 0.864 593 N CB 0.252 38.608 38.487 -0.219 0.000 1.063 593 N HN 0.420 nan 8.380 nan 0.000 0.474 594 P HA -0.038 nan 4.420 nan 0.000 0.240 594 P C 0.515 177.689 177.300 -0.210 0.000 1.190 594 P CA 0.702 63.677 63.100 -0.209 0.000 0.781 594 P CB 0.252 31.790 31.700 -0.270 0.000 0.931 595 T N 1.121 115.641 114.554 -0.057 0.000 2.665 595 T HA -0.177 4.173 4.350 -0.001 0.000 0.268 595 T C 1.788 176.544 174.700 0.092 0.000 1.035 595 T CA 1.233 63.366 62.100 0.054 0.000 1.151 595 T CB -0.899 68.070 68.868 0.168 0.000 0.862 595 T HN 0.038 nan 8.240 nan 0.000 0.438 596 L N 0.930 122.228 121.223 0.125 0.000 2.046 596 L HA -0.088 4.252 4.340 -0.001 0.000 0.208 596 L C 2.576 179.493 176.870 0.078 0.000 1.077 596 L CA 1.784 56.732 54.840 0.181 0.000 0.747 596 L CB -1.093 41.061 42.059 0.158 0.000 0.896 596 L HN 0.202 nan 8.230 nan 0.000 0.432 597 T N 0.284 114.759 114.554 -0.131 0.000 2.708 597 T HA -0.053 4.297 4.350 -0.001 0.000 0.266 597 T C 1.130 175.744 174.700 -0.143 0.000 1.037 597 T CA 0.840 62.782 62.100 -0.263 0.000 1.146 597 T CB -0.554 67.732 68.868 -0.970 0.000 0.865 597 T HN 0.547 nan 8.240 nan 0.000 0.435 601 L N 2.993 124.098 121.223 -0.197 0.000 2.083 601 L HA 0.201 4.541 4.340 -0.001 0.000 0.209 601 L C 2.584 179.335 176.870 -0.198 0.000 1.083 601 L CA 2.249 56.971 54.840 -0.197 0.000 0.752 601 L CB -1.214 40.796 42.059 -0.081 0.000 0.899 601 L HN 0.512 nan 8.230 nan 0.000 0.433 602 A N -0.790 121.900 122.820 -0.215 0.000 1.930 602 A HA -0.147 4.172 4.320 -0.001 0.000 0.217 602 A C 2.325 179.600 177.584 -0.515 0.000 1.175 602 A CA 1.429 53.219 52.037 -0.411 0.000 0.627 602 A CB -0.586 18.162 19.000 -0.420 0.000 0.815 602 A HN 0.367 nan 8.150 nan 0.000 0.443 603 I N -0.420 119.944 120.570 -0.343 0.000 2.179 603 I HA -0.279 3.890 4.170 -0.001 0.000 0.242 603 I C 2.549 178.516 176.117 -0.249 0.000 1.088 603 I CA 1.882 63.019 61.300 -0.273 0.000 1.357 603 I CB -0.176 37.691 38.000 -0.221 0.000 1.051 603 I HN 0.362 nan 8.210 nan 0.000 0.409 604 K N 0.325 120.576 120.400 -0.249 0.000 2.057 604 K HA -0.209 4.110 4.320 -0.001 0.000 0.207 604 K C 2.348 178.865 176.600 -0.137 0.000 1.049 604 K CA 1.717 57.884 56.287 -0.200 0.000 0.931 604 K CB -0.111 32.236 32.500 -0.255 0.000 0.714 604 K HN 0.119 nan 8.250 nan 0.000 0.440 605 S N 0.001 115.602 115.700 -0.165 0.000 2.383 605 S HA -0.159 4.311 4.470 -0.001 0.000 0.229 605 S C 2.003 176.509 174.600 -0.157 0.000 1.030 605 S CA 1.408 59.548 58.200 -0.099 0.000 1.002 605 S CB -0.366 62.813 63.200 -0.034 0.000 0.829 605 S HN 0.547 nan 8.310 nan 0.000 0.467 606 C N 1.248 120.379 119.300 -0.281 0.000 2.435 606 C HA 0.047 4.506 4.460 -0.001 0.000 0.279 606 C C 2.483 177.397 174.990 -0.126 0.000 1.321 606 C CA 0.461 59.329 59.018 -0.250 0.000 1.752 606 C CB -1.364 26.189 27.740 -0.311 0.000 1.959 606 C HN 0.669 nan 8.230 nan 0.000 0.500 607 E N -0.410 119.738 120.200 -0.086 0.000 2.085 607 E HA -0.263 4.087 4.350 -0.001 0.000 0.194 607 E C 1.836 178.444 176.600 0.014 0.000 0.994 607 E CA 1.547 57.928 56.400 -0.033 0.000 0.801 607 E CB -0.321 29.357 29.700 -0.037 0.000 0.743 607 E HN 0.823 nan 8.360 nan 0.000 0.453 608 Y N 1.080 121.348 120.300 -0.054 0.000 2.181 608 Y HA -0.215 4.335 4.550 -0.001 0.000 0.288 608 Y C 1.921 177.849 175.900 0.047 0.000 1.146 608 Y CA 1.475 59.583 58.100 0.014 0.000 1.164 608 Y CB -0.029 38.469 38.460 0.065 0.000 0.982 608 Y HN -0.035 nan 8.280 nan 0.000 0.515 609 I N 0.125 120.717 120.570 0.036 0.000 2.252 609 I HA -0.284 3.885 4.170 -0.001 0.000 0.245 609 I C 2.254 178.409 176.117 0.064 0.000 1.102 609 I CA 1.455 62.760 61.300 0.009 0.000 1.385 609 I CB -0.362 37.438 38.000 -0.333 0.000 1.064 609 I HN 0.116 nan 8.210 nan 0.000 0.414 610 K N 0.326 120.736 120.400 0.016 0.000 2.283 610 K HA -0.168 4.152 4.320 -0.001 0.000 0.202 610 K C 1.966 178.619 176.600 0.087 0.000 1.048 610 K CA 1.052 57.422 56.287 0.138 0.000 0.948 610 K CB -0.011 32.546 32.500 0.095 0.000 0.742 610 K HN 0.409 nan 8.250 nan 0.000 0.458 611 Q N -0.440 119.338 119.800 -0.037 0.000 2.398 611 Q HA 0.074 4.413 4.340 -0.001 0.000 0.204 611 Q C 1.006 176.898 176.000 -0.180 0.000 0.932 611 Q CA 0.539 56.278 55.803 -0.107 0.000 0.916 611 Q CB 0.522 29.170 28.738 -0.151 0.000 1.024 611 Q HN 0.248 nan 8.270 nan 0.000 0.504 612 N N -1.108 117.454 118.700 -0.231 0.000 2.166 612 N HA 0.151 4.890 4.740 -0.001 0.000 0.213 612 N C -0.969 174.167 175.510 -0.623 0.000 1.222 612 N CA 0.242 53.017 53.050 -0.458 0.000 0.900 612 N CB 1.065 39.114 38.487 -0.729 0.000 1.055 612 N HN -0.002 nan 8.380 nan 0.000 0.515 613 F N 0.492 120.464 119.950 0.037 0.000 2.578 613 F HA 0.326 4.853 4.527 -0.001 0.000 0.311 613 F C 0.088 176.022 175.800 0.224 0.000 1.094 613 F CA -0.662 57.417 58.000 0.133 0.000 0.923 613 F CB 1.864 40.944 39.000 0.133 0.000 1.230 613 F HN -0.372 nan 8.300 nan 0.000 0.450 614 T N 3.866 118.610 114.554 0.316 0.000 2.767 614 T HA 0.389 4.738 4.350 -0.001 0.000 0.288 614 T C -2.584 172.179 174.700 0.107 0.000 0.963 614 T CA -1.414 60.773 62.100 0.145 0.000 1.019 614 T CB 1.002 69.913 68.868 0.072 0.000 0.923 614 T HN 0.120 nan 8.240 nan 0.000 0.468 615 P HA 0.133 nan 4.420 nan 0.000 0.268 615 P C 0.085 177.331 177.300 -0.089 0.000 1.204 615 P CA -0.384 62.508 63.100 -0.345 0.000 0.768 615 P CB 0.304 31.610 31.700 -0.656 0.000 0.842 616 S N 3.724 119.420 115.700 -0.008 0.000 2.573 616 S HA 0.234 4.703 4.470 -0.001 0.000 0.277 616 S C -2.185 172.418 174.600 0.004 0.000 1.346 616 S CA -0.921 57.285 58.200 0.009 0.000 1.034 616 S CB -0.804 62.406 63.200 0.017 0.000 0.879 616 S HN 0.242 nan 8.310 nan 0.000 0.528 617 P HA 0.185 nan 4.420 nan 0.000 0.271 617 P C -0.541 176.804 177.300 0.075 0.000 1.216 617 P CA -0.464 62.663 63.100 0.046 0.000 0.771 617 P CB 0.059 31.778 31.700 0.032 0.000 0.864 618 F N 4.721 124.656 119.950 -0.025 0.000 2.519 618 F HA -0.020 4.506 4.527 -0.001 0.000 0.381 618 F C 0.572 176.364 175.800 -0.012 0.000 1.076 618 F CA 0.911 58.902 58.000 -0.016 0.000 1.095 618 F CB -0.900 38.091 39.000 -0.015 0.000 1.046 618 F HN 0.517 nan 8.300 nan 0.000 0.559 619 T N 0.000 114.311 114.554 -0.404 0.000 3.816 619 T HA 0.000 4.350 4.350 -0.001 0.000 0.228 619 T CA 0.000 61.940 62.100 -0.267 0.000 1.349 619 T CB 0.000 68.676 68.868 -0.320 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658