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 2ay4_1_B DATA FIRST_RESID 5 DATA SEQUENCE MLGNLKPQAP DKILALMGEF XXXXXXGKID LGVGVYKDAT GHTPIMRAVH DATA SEQUENCE AAEQRMLETE XTTKTYAGLS GEPEFQKAMG ELILGDGXXX LKSETTATLA DATA SEQUENCE TVGGTGALRQ ALELARMANP DLXXRXXXVF VSDPTWPNHV SIMNFMGLXP DATA SEQUENCE VQTYRYFDAE TRGVDFEGMK ADLAAAKKGD MVLLHGCCHN PTGANLTLDQ DATA SEQUENCE WAEIASILEK TGALPLIDLA YQGFGDGXLE EDAAGTRLIA SRIPEVLIAA DATA SEQUENCE SCSKNFGIYR ERTGCLLALC ADAATRELAQ GAMAFLNRQT YSFPPFHGAK DATA SEQUENCE IVSTVLTTPE LRADWMAELE AVRSGMLRLR EQLAGELRDL SGSDRFGFVA DATA SEQUENCE EHRGMFSRLG ATPEQVKRIK EEFGIYMVGD SRINIAGLND NTIPILARAI DATA SEQUENCE IEVGV 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.304 176.300 0.007 0.000 1.140 5 M CA 0.000 55.303 55.300 0.006 0.000 0.988 5 M CB 0.000 32.604 32.600 0.006 0.000 1.302 6 L N 1.152 122.379 121.223 0.007 0.000 2.447 6 L HA -0.070 4.270 4.340 -0.000 0.000 0.225 6 L C 1.944 178.819 176.870 0.008 0.000 1.148 6 L CA 1.385 56.230 54.840 0.008 0.000 0.808 6 L CB -0.929 41.134 42.059 0.008 0.000 0.928 6 L HN 0.646 nan 8.230 nan 0.000 0.448 7 G N -0.357 108.447 108.800 0.006 0.000 2.650 7 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.214 7 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.214 7 G C 1.167 176.071 174.900 0.006 0.000 1.136 7 G CA 0.084 45.188 45.100 0.006 0.000 0.789 7 G HN 0.371 nan 8.290 nan 0.000 0.536 8 N N 0.230 118.934 118.700 0.007 0.000 2.467 8 N HA 0.083 4.823 4.740 -0.000 0.000 0.184 8 N C 0.645 176.161 175.510 0.010 0.000 1.106 8 N CA -0.103 52.952 53.050 0.008 0.000 0.892 8 N CB 0.055 38.546 38.487 0.007 0.000 0.969 8 N HN 0.252 nan 8.380 nan 0.000 0.454 9 L N 1.645 122.875 121.223 0.011 0.000 2.562 9 L HA 0.001 4.341 4.340 -0.000 0.000 0.271 9 L C 0.538 177.415 176.870 0.013 0.000 1.167 9 L CA 0.265 55.114 54.840 0.015 0.000 0.917 9 L CB 0.108 42.175 42.059 0.014 0.000 1.187 9 L HN -0.095 nan 8.230 nan 0.000 0.482 10 K N 5.225 125.634 120.400 0.015 0.000 2.258 10 K HA 0.255 4.575 4.320 -0.000 0.000 0.264 10 K C -2.011 174.596 176.600 0.012 0.000 1.007 10 K CA -1.366 54.928 56.287 0.013 0.000 0.941 10 K CB 0.196 32.705 32.500 0.015 0.000 0.966 10 K HN 0.393 nan 8.250 nan 0.000 0.480 11 P HA 0.032 nan 4.420 nan 0.000 0.276 11 P C -0.956 176.346 177.300 0.004 0.000 1.235 11 P CA -0.197 62.906 63.100 0.004 0.000 0.772 11 P CB 0.925 32.626 31.700 0.002 0.000 0.871 12 Q N 1.127 120.927 119.800 -0.000 0.000 2.205 12 Q HA 0.545 4.885 4.340 -0.000 0.000 0.249 12 Q C -0.042 175.950 176.000 -0.014 0.000 0.948 12 Q CA -0.699 55.102 55.803 -0.004 0.000 0.895 12 Q CB 2.002 30.734 28.738 -0.010 0.000 1.249 12 Q HN 0.575 nan 8.270 nan 0.000 0.458 13 A N 3.021 125.830 122.820 -0.018 0.000 2.401 13 A HA 0.512 4.832 4.320 -0.000 0.000 0.259 13 A C -1.641 175.918 177.584 -0.042 0.000 1.103 13 A CA -0.800 51.222 52.037 -0.026 0.000 0.789 13 A CB -0.422 18.563 19.000 -0.026 0.000 1.035 13 A HN 0.502 nan 8.150 nan 0.000 0.491 14 P HA 0.366 nan 4.420 nan 0.000 0.282 14 P C -1.086 176.175 177.300 -0.065 0.000 1.287 14 P CA -0.422 62.649 63.100 -0.048 0.000 0.792 14 P CB 0.641 32.321 31.700 -0.032 0.000 1.163 15 D N -1.026 119.329 120.400 -0.074 0.000 2.225 15 D HA 0.107 4.747 4.640 -0.000 0.000 0.248 15 D C 1.096 177.354 176.300 -0.071 0.000 1.096 15 D CA -0.384 53.557 54.000 -0.099 0.000 0.863 15 D CB 0.959 41.687 40.800 -0.121 0.000 1.156 15 D HN 0.117 nan 8.370 nan 0.000 0.450 16 K N 2.625 122.978 120.400 -0.078 0.000 1.991 16 K HA -0.120 4.200 4.320 -0.000 0.000 0.212 16 K C 1.795 178.376 176.600 -0.032 0.000 1.049 16 K CA 1.366 57.624 56.287 -0.048 0.000 0.932 16 K CB -0.122 32.344 32.500 -0.056 0.000 0.717 16 K HN 0.542 nan 8.250 nan 0.000 0.441 17 I N 1.093 121.635 120.570 -0.047 0.000 2.163 17 I HA -0.292 3.878 4.170 -0.000 0.000 0.243 17 I C 2.147 178.261 176.117 -0.006 0.000 1.085 17 I CA 1.334 62.623 61.300 -0.018 0.000 1.347 17 I CB -0.416 37.581 38.000 -0.005 0.000 1.044 17 I HN 0.112 nan 8.210 nan 0.000 0.408 18 L N 0.515 121.728 121.223 -0.017 0.000 2.156 18 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 18 L C 2.870 179.737 176.870 -0.006 0.000 1.095 18 L CA 0.910 55.743 54.840 -0.011 0.000 0.770 18 L CB -0.741 41.306 42.059 -0.019 0.000 0.914 18 L HN 0.228 nan 8.230 nan 0.000 0.439 19 A N 0.543 123.360 122.820 -0.005 0.000 1.902 19 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 19 A C 2.283 179.885 177.584 0.030 0.000 1.181 19 A CA 1.310 53.352 52.037 0.009 0.000 0.623 19 A CB -0.612 18.392 19.000 0.008 0.000 0.818 19 A HN 0.325 nan 8.150 nan 0.000 0.443 20 L N -1.860 119.386 121.223 0.038 0.000 1.971 20 L HA -0.262 4.078 4.340 -0.000 0.000 0.215 20 L C 2.760 179.649 176.870 0.031 0.000 1.072 20 L CA 2.022 56.902 54.840 0.068 0.000 0.758 20 L CB -0.531 41.566 42.059 0.064 0.000 0.889 20 L HN 0.432 nan 8.230 nan 0.000 0.433 21 M N 0.418 120.013 119.600 -0.007 0.000 2.195 21 M HA -0.160 4.320 4.480 -0.000 0.000 0.260 21 M C 1.922 178.249 176.300 0.045 0.000 1.066 21 M CA 1.994 57.286 55.300 -0.012 0.000 1.089 21 M CB -1.009 31.577 32.600 -0.024 0.000 1.377 21 M HN 0.214 nan 8.290 nan 0.000 0.411 22 G N -1.443 107.375 108.800 0.030 0.000 2.394 22 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.215 22 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.215 22 G C 1.132 176.048 174.900 0.026 0.000 1.165 22 G CA 0.416 45.532 45.100 0.026 0.000 0.784 22 G HN 0.596 nan 8.290 nan 0.000 0.535 23 E N -0.679 119.544 120.200 0.038 0.000 2.424 23 E HA 0.340 4.690 4.350 -0.000 0.000 0.237 23 E C -0.777 175.781 176.600 -0.070 0.000 1.381 23 E CA -0.529 55.892 56.400 0.035 0.000 1.587 23 E CB -0.296 29.475 29.700 0.118 0.000 1.398 23 E HN 0.255 nan 8.360 nan 0.000 0.439 32 K N 0.689 121.127 120.400 0.064 0.000 2.382 32 K HA 0.419 4.739 4.320 -0.000 0.000 0.275 32 K C -0.255 176.555 176.600 0.351 0.000 1.009 32 K CA 0.359 56.744 56.287 0.163 0.000 0.970 32 K CB 1.245 33.587 32.500 -0.264 0.000 0.934 32 K HN 0.176 nan 8.250 nan 0.000 0.479 33 I N 2.476 123.337 120.570 0.486 0.000 2.411 33 I HA 0.062 4.232 4.170 -0.000 0.000 0.284 33 I C -0.677 175.601 176.117 0.267 0.000 1.012 33 I CA -0.794 60.702 61.300 0.327 0.000 1.119 33 I CB 1.641 39.751 38.000 0.183 0.000 1.261 33 I HN 0.568 nan 8.210 nan 0.000 0.448 34 D N 6.438 126.821 120.400 -0.028 0.000 2.295 34 D HA 0.382 5.022 4.640 -0.000 0.000 0.248 34 D C -0.249 175.946 176.300 -0.176 0.000 1.154 34 D CA -0.001 53.722 54.000 -0.461 0.000 0.857 34 D CB 1.145 41.365 40.800 -0.967 0.000 1.117 34 D HN 0.279 nan 8.370 nan 0.000 0.468 35 L N 3.817 124.986 121.223 -0.090 0.000 3.347 35 L HA 0.434 4.774 4.340 -0.000 0.000 0.306 35 L C 1.025 177.911 176.870 0.028 0.000 1.301 35 L CA -0.085 54.750 54.840 -0.008 0.000 0.985 35 L CB 1.005 43.084 42.059 0.033 0.000 1.400 35 L HN 0.609 nan 8.230 nan 0.000 0.601 36 G N -1.330 107.455 108.800 -0.026 0.000 2.593 36 G HA2 0.115 4.075 3.960 -0.000 0.000 0.212 36 G HA3 0.115 4.075 3.960 -0.000 0.000 0.212 36 G C 0.121 175.068 174.900 0.078 0.000 1.934 36 G CA 0.025 45.136 45.100 0.018 0.000 0.861 36 G HN -0.091 nan 8.290 nan 0.000 0.629 37 V N 2.248 122.182 119.914 0.033 0.000 2.681 37 V HA 0.338 4.458 4.120 -0.000 0.000 0.306 37 V C 1.331 177.540 176.094 0.192 0.000 1.077 37 V CA 0.647 63.000 62.300 0.088 0.000 1.224 37 V CB 0.652 32.487 31.823 0.020 0.000 0.879 37 V HN 0.582 nan 8.190 nan 0.000 0.494 38 G N 6.530 115.542 108.800 0.352 0.000 2.924 38 G HA2 0.408 4.368 3.960 -0.000 0.000 0.273 38 G HA3 0.408 4.368 3.960 -0.000 0.000 0.273 38 G C -0.463 174.627 174.900 0.317 0.000 0.734 38 G CA -0.080 45.349 45.100 0.549 0.000 2.065 38 G HN 0.698 nan 8.290 nan 0.000 0.580 39 V N 1.620 121.621 119.914 0.145 0.000 2.876 39 V HA 0.356 4.476 4.120 -0.000 0.000 0.312 39 V C -0.772 175.390 176.094 0.113 0.000 1.085 39 V CA -1.298 61.047 62.300 0.075 0.000 0.945 39 V CB 2.084 33.767 31.823 -0.233 0.000 1.017 39 V HN 0.533 nan 8.190 nan 0.000 0.428 40 Y N 3.877 124.280 120.300 0.172 0.000 2.335 40 Y HA 0.532 5.082 4.550 -0.000 0.000 0.331 40 Y C 0.012 175.984 175.900 0.119 0.000 1.094 40 Y CA -0.185 58.015 58.100 0.166 0.000 1.253 40 Y CB 0.616 39.269 38.460 0.321 0.000 1.203 40 Y HN 0.547 nan 8.280 nan 0.000 0.508 41 K N 5.277 125.137 120.400 -0.900 0.000 2.371 41 K HA 0.239 4.559 4.320 -0.000 0.000 0.251 41 K C -1.064 175.015 176.600 -0.868 0.000 0.934 41 K CA -1.053 54.813 56.287 -0.701 0.000 0.798 41 K CB 1.571 33.882 32.500 -0.316 0.000 1.204 41 K HN 0.784 nan 8.250 nan 0.000 0.427 42 D N 0.818 120.927 120.400 -0.485 0.000 2.478 42 D HA 0.174 4.814 4.640 -0.000 0.000 0.269 42 D C 1.016 177.256 176.300 -0.101 0.000 1.232 42 D CA -0.460 53.433 54.000 -0.178 0.000 1.059 42 D CB 0.320 41.141 40.800 0.035 0.000 1.104 42 D HN 0.412 nan 8.370 nan 0.000 0.566 43 A N -0.535 122.275 122.820 -0.017 0.000 1.958 43 A HA -0.159 4.161 4.320 -0.000 0.000 0.221 43 A C 1.835 179.380 177.584 -0.064 0.000 1.178 43 A CA 2.606 54.629 52.037 -0.023 0.000 0.642 43 A CB -1.493 17.513 19.000 0.010 0.000 0.816 43 A HN 0.758 nan 8.150 nan 0.000 0.453 44 T N -3.665 110.842 114.554 -0.079 0.000 3.278 44 T HA 0.429 4.779 4.350 -0.000 0.000 0.251 44 T C 1.096 175.487 174.700 -0.514 0.000 1.039 44 T CA 0.782 62.770 62.100 -0.187 0.000 0.935 44 T CB -0.477 68.375 68.868 -0.026 0.000 1.034 44 T HN 1.726 nan 8.240 nan 0.000 0.575 45 G N 1.334 109.933 108.800 -0.334 0.000 2.249 45 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.273 45 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.273 45 G C -0.260 174.416 174.900 -0.374 0.000 1.036 45 G CA 0.269 45.173 45.100 -0.328 0.000 0.824 45 G HN 0.823 nan 8.290 nan 0.000 0.504 46 H N -1.108 117.920 119.070 -0.071 0.000 2.622 46 H HA 0.617 5.173 4.556 -0.000 0.000 0.363 46 H C -0.241 175.038 175.328 -0.083 0.000 1.151 46 H CA -0.528 55.489 56.048 -0.052 0.000 1.184 46 H CB 1.746 31.501 29.762 -0.011 0.000 1.643 46 H HN 0.085 nan 8.280 nan 0.000 0.531 47 T N 5.228 119.839 114.554 0.097 0.000 3.016 47 T HA 0.178 4.528 4.350 -0.000 0.000 0.335 47 T C -2.008 172.788 174.700 0.161 0.000 1.176 47 T CA -1.260 60.887 62.100 0.078 0.000 0.987 47 T CB 0.126 69.005 68.868 0.019 0.000 1.073 47 T HN 0.449 nan 8.240 nan 0.000 0.547 48 P HA 0.365 nan 4.420 nan 0.000 0.273 48 P C -0.517 176.920 177.300 0.228 0.000 1.250 48 P CA -0.563 62.653 63.100 0.193 0.000 0.793 48 P CB 1.168 32.988 31.700 0.200 0.000 1.011 49 I N 1.090 121.776 120.570 0.193 0.000 2.321 49 I HA 0.221 4.391 4.170 -0.000 0.000 0.291 49 I C 1.021 177.261 176.117 0.205 0.000 0.998 49 I CA -0.813 60.614 61.300 0.210 0.000 1.227 49 I CB 0.859 38.981 38.000 0.204 0.000 1.368 49 I HN 0.186 nan 8.210 nan 0.000 0.466 50 M N 5.704 125.437 119.600 0.222 0.000 2.252 50 M HA 0.100 4.580 4.480 -0.000 0.000 0.348 50 M C 1.419 177.835 176.300 0.192 0.000 1.334 50 M CA 0.315 55.740 55.300 0.208 0.000 1.071 50 M CB 0.311 33.066 32.600 0.258 0.000 1.763 50 M HN 0.563 nan 8.290 nan 0.000 0.452 51 R N 2.186 122.775 120.500 0.149 0.000 2.133 51 R HA -0.253 4.087 4.340 -0.000 0.000 0.245 51 R C 2.129 178.522 176.300 0.155 0.000 1.137 51 R CA 2.093 58.267 56.100 0.123 0.000 0.947 51 R CB -0.798 29.549 30.300 0.079 0.000 0.865 51 R HN 0.895 nan 8.270 nan 0.000 0.437 52 A N 0.606 123.526 122.820 0.167 0.000 1.933 52 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 52 A C 2.426 180.089 177.584 0.131 0.000 1.175 52 A CA 1.415 53.544 52.037 0.153 0.000 0.628 52 A CB -0.444 18.672 19.000 0.193 0.000 0.814 52 A HN 0.142 nan 8.150 nan 0.000 0.444 53 V N -0.253 119.752 119.914 0.152 0.000 2.343 53 V HA -0.266 3.854 4.120 -0.000 0.000 0.247 53 V C 2.568 178.717 176.094 0.093 0.000 1.051 53 V CA 2.173 64.536 62.300 0.104 0.000 1.036 53 V CB -0.957 30.949 31.823 0.139 0.000 0.654 53 V HN 0.792 nan 8.190 nan 0.000 0.451 54 H N 0.683 119.792 119.070 0.066 0.000 2.353 54 H HA -0.112 4.444 4.556 -0.000 0.000 0.300 54 H C 2.225 177.577 175.328 0.041 0.000 1.090 54 H CA 1.946 58.028 56.048 0.057 0.000 1.327 54 H CB 0.012 29.810 29.762 0.061 0.000 1.383 54 H HN 0.386 nan 8.280 nan 0.000 0.508 55 A N 0.903 123.864 122.820 0.234 0.000 1.969 55 A HA -0.001 4.319 4.320 -0.000 0.000 0.218 55 A C 2.724 180.342 177.584 0.057 0.000 1.169 55 A CA 1.517 53.649 52.037 0.159 0.000 0.635 55 A CB -0.875 18.199 19.000 0.124 0.000 0.810 55 A HN 0.549 nan 8.150 nan 0.000 0.445 56 A N 0.029 122.862 122.820 0.021 0.000 1.855 56 A HA -0.170 4.150 4.320 -0.000 0.000 0.215 56 A C 1.922 179.465 177.584 -0.068 0.000 1.191 56 A CA 1.585 53.600 52.037 -0.036 0.000 0.613 56 A CB -0.601 18.355 19.000 -0.074 0.000 0.829 56 A HN 0.598 nan 8.150 nan 0.000 0.442 57 E N -0.775 119.371 120.200 -0.089 0.000 2.085 57 E HA -0.280 4.070 4.350 -0.000 0.000 0.194 57 E C 2.267 178.833 176.600 -0.057 0.000 0.994 57 E CA 1.425 57.775 56.400 -0.083 0.000 0.801 57 E CB -0.179 29.474 29.700 -0.078 0.000 0.743 57 E HN 0.775 nan 8.360 nan 0.000 0.453 58 Q N 0.772 120.525 119.800 -0.079 0.000 2.061 58 Q HA -0.215 4.125 4.340 -0.000 0.000 0.204 58 Q C 2.262 178.262 176.000 -0.000 0.000 0.984 58 Q CA 1.547 57.330 55.803 -0.033 0.000 0.846 58 Q CB 0.005 28.757 28.738 0.023 0.000 0.902 58 Q HN 0.066 nan 8.270 nan 0.000 0.421 59 R N -0.491 120.010 120.500 0.002 0.000 2.090 59 R HA -0.081 4.259 4.340 -0.000 0.000 0.228 59 R C 2.221 178.523 176.300 0.004 0.000 1.110 59 R CA 1.304 57.408 56.100 0.006 0.000 0.973 59 R CB -0.059 30.244 30.300 0.006 0.000 0.869 59 R HN 0.313 nan 8.270 nan 0.000 0.440 60 M N 0.243 119.839 119.600 -0.007 0.000 2.080 60 M HA -0.183 4.297 4.480 -0.000 0.000 0.260 60 M C 2.053 178.374 176.300 0.035 0.000 1.068 60 M CA 1.231 56.536 55.300 0.010 0.000 1.109 60 M CB -0.282 32.309 32.600 -0.015 0.000 1.342 60 M HN 0.195 nan 8.290 nan 0.000 0.405 61 L N 0.511 121.753 121.223 0.032 0.000 2.349 61 L HA -0.171 4.169 4.340 -0.000 0.000 0.220 61 L C 1.916 178.797 176.870 0.018 0.000 1.130 61 L CA 1.802 56.660 54.840 0.030 0.000 0.791 61 L CB -0.578 41.492 42.059 0.018 0.000 0.918 61 L HN 0.351 nan 8.230 nan 0.000 0.444 62 E N -2.045 118.164 120.200 0.016 0.000 2.372 62 E HA -0.057 4.293 4.350 -0.000 0.000 0.201 62 E C 1.644 178.251 176.600 0.011 0.000 0.938 62 E CA 0.830 57.237 56.400 0.011 0.000 0.944 62 E CB 0.198 29.905 29.700 0.012 0.000 0.937 62 E HN 0.607 nan 8.360 nan 0.000 0.495 63 T N -1.496 113.067 114.554 0.015 0.000 3.040 63 T HA 0.124 4.474 4.350 -0.000 0.000 0.252 63 T C 0.884 175.593 174.700 0.014 0.000 1.064 63 T CA -0.276 61.833 62.100 0.014 0.000 1.110 63 T CB 0.184 69.063 68.868 0.017 0.000 0.921 63 T HN -0.110 nan 8.240 nan 0.000 0.480 67 T N 0.340 114.836 114.554 -0.098 0.000 2.821 67 T HA 0.615 4.965 4.350 -0.000 0.000 0.306 67 T C -1.554 173.024 174.700 -0.202 0.000 1.313 67 T CA -0.604 61.414 62.100 -0.135 0.000 1.012 67 T CB 2.149 70.937 68.868 -0.134 0.000 1.298 67 T HN 0.120 nan 8.240 nan 0.000 0.502 68 K N 1.645 121.906 120.400 -0.232 0.000 2.592 68 K HA 0.250 4.570 4.320 -0.000 0.000 0.203 68 K C 0.199 176.575 176.600 -0.373 0.000 1.070 68 K CA -0.296 55.806 56.287 -0.308 0.000 1.062 68 K CB 0.676 33.037 32.500 -0.232 0.000 0.814 68 K HN 0.671 nan 8.250 nan 0.000 0.502 69 T N 0.591 114.938 114.554 -0.345 0.000 2.663 69 T HA -0.040 4.310 4.350 -0.000 0.000 0.325 69 T C 0.330 174.754 174.700 -0.460 0.000 1.059 69 T CA 0.196 62.061 62.100 -0.391 0.000 1.039 69 T CB 0.234 68.957 68.868 -0.243 0.000 0.996 69 T HN -0.009 nan 8.240 nan 0.000 0.539 70 Y N 0.575 120.649 120.300 -0.376 0.000 2.610 70 Y HA 0.399 4.949 4.550 -0.000 0.000 0.332 70 Y C 0.883 176.472 175.900 -0.518 0.000 1.201 70 Y CA -0.230 57.467 58.100 -0.671 0.000 1.465 70 Y CB -0.254 37.716 38.460 -0.816 0.000 1.283 70 Y HN 0.829 nan 8.280 nan 0.000 0.563 71 A N 2.604 125.210 122.820 -0.356 0.000 3.847 71 A HA 0.774 5.094 4.320 -0.000 0.000 0.152 71 A C 0.610 178.281 177.584 0.146 0.000 1.527 71 A CA -0.155 51.826 52.037 -0.093 0.000 1.022 71 A CB -0.572 18.393 19.000 -0.058 0.000 1.715 71 A HN 0.807 nan 8.150 nan 0.000 0.650 72 G N -1.245 107.694 108.800 0.233 0.000 2.415 72 G HA2 0.435 4.395 3.960 -0.000 0.000 0.269 72 G HA3 0.435 4.395 3.960 -0.000 0.000 0.269 72 G C 0.373 175.515 174.900 0.404 0.000 1.209 72 G CA -0.264 45.013 45.100 0.295 0.000 0.835 72 G HN 0.601 nan 8.290 nan 0.000 0.534 73 L N 1.814 123.202 121.223 0.275 0.000 2.201 73 L HA 0.041 4.381 4.340 -0.000 0.000 0.212 73 L C 2.294 179.217 176.870 0.088 0.000 1.105 73 L CA 1.696 56.569 54.840 0.055 0.000 0.775 73 L CB 0.162 42.141 42.059 -0.133 0.000 0.913 73 L HN 0.426 nan 8.230 nan 0.000 0.440 74 S N -0.198 115.575 115.700 0.121 0.000 2.568 74 S HA 0.606 5.076 4.470 -0.000 0.000 0.232 74 S C 0.524 175.222 174.600 0.163 0.000 0.975 74 S CA 0.202 58.475 58.200 0.122 0.000 0.949 74 S CB -0.118 63.140 63.200 0.097 0.000 0.829 74 S HN 0.708 nan 8.310 nan 0.000 0.479 75 G N 1.694 110.604 108.800 0.183 0.000 2.655 75 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.680 75 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.680 75 G C -1.371 173.643 174.900 0.191 0.000 1.302 75 G CA -1.041 44.167 45.100 0.180 0.000 0.872 75 G HN 0.132 nan 8.290 nan 0.000 0.540 76 E N 0.686 121.000 120.200 0.190 0.000 2.301 76 E HA 0.371 4.721 4.350 -0.000 0.000 0.275 76 E C -1.444 175.260 176.600 0.173 0.000 1.030 76 E CA -1.787 54.721 56.400 0.180 0.000 0.852 76 E CB 1.236 31.042 29.700 0.177 0.000 1.060 76 E HN 0.142 nan 8.360 nan 0.000 0.401 77 P HA -0.185 nan 4.420 nan 0.000 0.216 77 P C 0.681 178.023 177.300 0.070 0.000 1.150 77 P CA 1.374 64.525 63.100 0.086 0.000 0.843 77 P CB 0.439 32.179 31.700 0.066 0.000 0.787 78 E N -1.592 118.655 120.200 0.078 0.000 2.077 78 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 78 E C 1.733 178.364 176.600 0.051 0.000 0.989 78 E CA 1.028 57.459 56.400 0.051 0.000 0.800 78 E CB -1.212 28.516 29.700 0.046 0.000 0.746 78 E HN 0.277 nan 8.360 nan 0.000 0.452 79 F N 1.449 121.360 119.950 -0.065 0.000 2.163 79 F HA -0.138 4.389 4.527 0.000 0.000 0.297 79 F C 2.006 177.768 175.800 -0.064 0.000 1.094 79 F CA 1.454 59.394 58.000 -0.101 0.000 1.290 79 F CB -0.166 38.761 39.000 -0.121 0.000 1.017 79 F HN -0.044 nan 8.300 nan 0.000 0.483 80 Q N 0.246 120.028 119.800 -0.030 0.000 2.096 80 Q HA -0.255 4.085 4.340 -0.000 0.000 0.204 80 Q C 2.273 178.185 176.000 -0.146 0.000 0.982 80 Q CA 2.004 57.741 55.803 -0.109 0.000 0.850 80 Q CB -0.322 28.435 28.738 0.032 0.000 0.901 80 Q HN 0.440 nan 8.270 nan 0.000 0.422 81 K N 0.296 120.644 120.400 -0.088 0.000 2.062 81 K HA -0.069 4.251 4.320 -0.000 0.000 0.205 81 K C 2.061 178.600 176.600 -0.103 0.000 1.051 81 K CA 0.930 57.174 56.287 -0.072 0.000 0.941 81 K CB -0.072 32.409 32.500 -0.032 0.000 0.719 81 K HN 0.150 nan 8.250 nan 0.000 0.440 82 A N 1.203 123.941 122.820 -0.136 0.000 1.877 82 A HA -0.149 4.171 4.320 -0.000 0.000 0.216 82 A C 2.105 179.580 177.584 -0.182 0.000 1.186 82 A CA 1.358 53.313 52.037 -0.136 0.000 0.620 82 A CB -0.386 18.531 19.000 -0.138 0.000 0.822 82 A HN 0.262 nan 8.150 nan 0.000 0.443 83 M N -0.385 119.010 119.600 -0.341 0.000 2.117 83 M HA -0.087 4.393 4.480 -0.000 0.000 0.262 83 M C 2.319 178.509 176.300 -0.182 0.000 1.065 83 M CA 1.436 56.532 55.300 -0.340 0.000 1.114 83 M CB -1.939 30.280 32.600 -0.635 0.000 1.361 83 M HN 0.474 nan 8.290 nan 0.000 0.408 84 G N -0.057 108.646 108.800 -0.162 0.000 2.421 84 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 84 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 84 G C 1.526 176.391 174.900 -0.059 0.000 1.171 84 G CA 0.789 45.835 45.100 -0.091 0.000 0.775 84 G HN 0.521 nan 8.290 nan 0.000 0.543 85 E N -0.302 119.865 120.200 -0.055 0.000 2.072 85 E HA -0.069 4.281 4.350 -0.000 0.000 0.191 85 E C 2.383 178.976 176.600 -0.012 0.000 0.985 85 E CA 0.640 57.023 56.400 -0.028 0.000 0.801 85 E CB -0.180 29.507 29.700 -0.022 0.000 0.750 85 E HN 0.331 nan 8.360 nan 0.000 0.452 86 L N 1.192 122.410 121.223 -0.008 0.000 2.042 86 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 86 L C 1.939 178.826 176.870 0.028 0.000 1.076 86 L CA 1.721 56.584 54.840 0.038 0.000 0.749 86 L CB -0.229 41.873 42.059 0.070 0.000 0.893 86 L HN 0.103 nan 8.230 nan 0.000 0.432 87 I N -1.382 119.188 120.570 0.000 0.000 2.235 87 I HA -0.216 3.954 4.170 -0.000 0.000 0.241 87 I C 1.991 178.096 176.117 -0.020 0.000 1.085 87 I CA 1.094 62.391 61.300 -0.006 0.000 1.378 87 I CB -0.156 37.835 38.000 -0.016 0.000 1.076 87 I HN 0.168 nan 8.210 nan 0.000 0.415 88 L N -0.026 121.183 121.223 -0.024 0.000 2.585 88 L HA 0.301 4.641 4.340 -0.000 0.000 0.226 88 L C 1.588 178.444 176.870 -0.023 0.000 1.113 88 L CA 0.311 55.135 54.840 -0.027 0.000 0.876 88 L CB -0.529 41.515 42.059 -0.025 0.000 1.072 88 L HN 0.462 nan 8.230 nan 0.000 0.468 89 G N 1.006 109.796 108.800 -0.017 0.000 2.629 89 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.313 89 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.313 89 G C 0.561 175.454 174.900 -0.013 0.000 1.217 89 G CA 0.554 45.647 45.100 -0.013 0.000 0.994 89 G HN 0.324 nan 8.290 nan 0.000 0.549 90 D N 2.403 122.795 120.400 -0.012 0.000 2.355 90 D HA 0.202 4.842 4.640 -0.000 0.000 0.218 90 D C 1.601 177.894 176.300 -0.011 0.000 1.004 90 D CA 0.920 54.913 54.000 -0.010 0.000 0.880 90 D CB -0.142 40.653 40.800 -0.009 0.000 0.911 90 D HN 0.572 nan 8.370 nan 0.000 0.528 96 K N 3.154 123.551 120.400 -0.006 0.000 2.290 96 K HA 0.390 4.710 4.320 -0.000 0.000 0.250 96 K C 1.073 177.672 176.600 -0.001 0.000 1.092 96 K CA -0.137 56.148 56.287 -0.002 0.000 1.006 96 K CB 0.957 33.457 32.500 -0.000 0.000 1.549 96 K HN 0.630 nan 8.250 nan 0.000 0.436 97 S N 1.930 117.629 115.700 -0.002 0.000 2.407 97 S HA -0.228 4.242 4.470 -0.000 0.000 0.235 97 S C 1.783 176.385 174.600 0.004 0.000 1.036 97 S CA 1.672 59.872 58.200 0.000 0.000 1.013 97 S CB -0.115 63.086 63.200 0.001 0.000 0.820 97 S HN 0.716 nan 8.310 nan 0.000 0.476 98 E N 1.617 121.819 120.200 0.004 0.000 2.204 98 E HA -0.153 4.197 4.350 -0.000 0.000 0.195 98 E C 1.314 177.918 176.600 0.006 0.000 0.990 98 E CA 1.629 58.032 56.400 0.005 0.000 0.821 98 E CB -0.761 28.942 29.700 0.005 0.000 0.750 98 E HN 0.698 nan 8.360 nan 0.000 0.477 99 T N -2.192 112.365 114.554 0.006 0.000 3.145 99 T HA 0.234 4.584 4.350 -0.000 0.000 0.281 99 T C 0.192 174.897 174.700 0.008 0.000 1.003 99 T CA -0.498 61.606 62.100 0.007 0.000 0.901 99 T CB 0.304 69.176 68.868 0.007 0.000 1.112 99 T HN -0.086 nan 8.240 nan 0.000 0.535 100 T N 2.540 117.099 114.554 0.007 0.000 2.792 100 T HA 0.752 5.101 4.350 -0.000 0.000 0.280 100 T C -0.382 174.325 174.700 0.012 0.000 0.990 100 T CA -0.574 61.531 62.100 0.008 0.000 0.960 100 T CB 1.523 70.391 68.868 0.001 0.000 0.939 100 T HN 0.465 nan 8.240 nan 0.000 0.439 101 A N 2.981 125.811 122.820 0.017 0.000 2.317 101 A HA 0.778 5.098 4.320 -0.000 0.000 0.327 101 A C 0.108 177.709 177.584 0.027 0.000 1.178 101 A CA -0.651 51.401 52.037 0.024 0.000 0.817 101 A CB 0.685 19.702 19.000 0.028 0.000 1.189 101 A HN 0.722 nan 8.150 nan 0.000 0.489 102 T N 2.936 117.511 114.554 0.035 0.000 2.863 102 T HA 0.616 4.966 4.350 -0.000 0.000 0.285 102 T C -0.974 173.771 174.700 0.075 0.000 1.009 102 T CA -0.465 61.659 62.100 0.041 0.000 0.989 102 T CB 1.291 70.172 68.868 0.021 0.000 1.004 102 T HN 0.553 nan 8.240 nan 0.000 0.455 103 L N 2.629 123.910 121.223 0.096 0.000 2.491 103 L HA 0.676 5.016 4.340 -0.000 0.000 0.267 103 L C -0.421 176.556 176.870 0.178 0.000 0.971 103 L CA -0.743 54.171 54.840 0.124 0.000 0.857 103 L CB 1.080 43.198 42.059 0.098 0.000 1.226 103 L HN 0.883 nan 8.230 nan 0.000 0.408 104 A N 3.548 126.502 122.820 0.223 0.000 2.440 104 A HA 0.610 4.930 4.320 -0.000 0.000 0.251 104 A C 0.409 178.095 177.584 0.169 0.000 1.089 104 A CA 0.245 52.433 52.037 0.252 0.000 0.779 104 A CB 0.288 19.373 19.000 0.142 0.000 1.022 104 A HN 0.797 nan 8.150 nan 0.000 0.492 105 T N -1.737 112.901 114.554 0.140 0.000 2.831 105 T HA 0.547 4.897 4.350 -0.000 0.000 0.287 105 T C -0.505 174.212 174.700 0.029 0.000 1.070 105 T CA -0.657 61.522 62.100 0.133 0.000 1.010 105 T CB 0.971 69.929 68.868 0.150 0.000 1.264 105 T HN 0.571 nan 8.240 nan 0.000 0.532 106 V N 2.130 122.045 119.914 0.001 0.000 2.223 106 V HA 0.577 4.697 4.120 -0.000 0.000 0.249 106 V C 1.359 177.452 176.094 -0.002 0.000 1.233 106 V CA 0.603 62.857 62.300 -0.077 0.000 1.131 106 V CB -1.024 30.689 31.823 -0.183 0.000 1.298 106 V HN 1.498 nan 8.190 nan 0.000 0.498 107 G N 4.069 112.870 108.800 0.002 0.000 2.796 107 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.226 107 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.226 107 G C 0.825 175.755 174.900 0.050 0.000 1.381 107 G CA -0.165 44.949 45.100 0.024 0.000 0.867 107 G HN 0.974 nan 8.290 nan 0.000 0.552 108 G N -1.662 107.158 108.800 0.034 0.000 2.421 108 G HA2 0.107 4.067 3.960 -0.000 0.000 0.217 108 G HA3 0.107 4.067 3.960 -0.000 0.000 0.217 108 G C 1.834 176.789 174.900 0.092 0.000 1.143 108 G CA 2.282 47.403 45.100 0.034 0.000 0.784 108 G HN 1.183 nan 8.290 nan 0.000 0.541 109 T N 1.013 115.647 114.554 0.134 0.000 2.746 109 T HA -0.043 4.307 4.350 -0.000 0.000 0.267 109 T C 2.506 177.298 174.700 0.153 0.000 1.039 109 T CA 1.386 63.609 62.100 0.205 0.000 1.142 109 T CB -0.488 68.517 68.868 0.228 0.000 0.866 109 T HN 0.339 nan 8.240 nan 0.000 0.444 110 G N 0.987 109.861 108.800 0.123 0.000 2.432 110 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.219 110 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.219 110 G C 1.784 176.768 174.900 0.140 0.000 1.135 110 G CA 0.892 46.073 45.100 0.135 0.000 0.767 110 G HN 0.580 nan 8.290 nan 0.000 0.550 111 A N 0.480 123.375 122.820 0.124 0.000 1.898 111 A HA 0.157 4.477 4.320 -0.000 0.000 0.216 111 A C 2.423 180.076 177.584 0.115 0.000 1.181 111 A CA 1.114 53.219 52.037 0.114 0.000 0.620 111 A CB -0.370 18.688 19.000 0.098 0.000 0.819 111 A HN 0.343 nan 8.150 nan 0.000 0.442 112 L N -1.038 120.265 121.223 0.134 0.000 2.017 112 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 112 L C 2.775 179.727 176.870 0.136 0.000 1.073 112 L CA 1.810 56.739 54.840 0.149 0.000 0.745 112 L CB -0.422 41.773 42.059 0.226 0.000 0.894 112 L HN 0.407 nan 8.230 nan 0.000 0.432 113 R N 0.271 120.854 120.500 0.139 0.000 2.080 113 R HA -0.229 4.111 4.340 -0.000 0.000 0.236 113 R C 2.254 178.618 176.300 0.106 0.000 1.137 113 R CA 1.748 57.924 56.100 0.127 0.000 0.943 113 R CB -0.585 29.791 30.300 0.127 0.000 0.846 113 R HN 0.170 nan 8.270 nan 0.000 0.431 114 Q N -0.345 119.517 119.800 0.103 0.000 2.135 114 Q HA 0.006 4.346 4.340 -0.000 0.000 0.204 114 Q C 1.916 177.962 176.000 0.077 0.000 0.981 114 Q CA 2.140 57.992 55.803 0.082 0.000 0.856 114 Q CB -0.430 28.361 28.738 0.088 0.000 0.902 114 Q HN 0.492 nan 8.270 nan 0.000 0.425 115 A N -0.275 122.595 122.820 0.083 0.000 1.902 115 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 115 A C 2.005 179.631 177.584 0.070 0.000 1.181 115 A CA 1.292 53.373 52.037 0.074 0.000 0.623 115 A CB -0.680 18.365 19.000 0.076 0.000 0.818 115 A HN 0.409 nan 8.150 nan 0.000 0.443 116 L N -0.648 120.621 121.223 0.077 0.000 2.093 116 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 116 L C 2.604 179.513 176.870 0.064 0.000 1.085 116 L CA 1.105 55.989 54.840 0.072 0.000 0.755 116 L CB -0.519 41.590 42.059 0.083 0.000 0.904 116 L HN 0.348 nan 8.230 nan 0.000 0.435 117 E N 0.048 120.288 120.200 0.067 0.000 2.072 117 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 117 E C 2.160 178.795 176.600 0.060 0.000 0.985 117 E CA 1.014 57.450 56.400 0.060 0.000 0.801 117 E CB -0.239 29.495 29.700 0.057 0.000 0.750 117 E HN 0.272 nan 8.360 nan 0.000 0.452 118 L N 1.077 122.337 121.223 0.061 0.000 2.017 118 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 118 L C 2.262 179.160 176.870 0.048 0.000 1.073 118 L CA 2.039 56.914 54.840 0.058 0.000 0.745 118 L CB -0.827 41.266 42.059 0.057 0.000 0.894 118 L HN 0.035 nan 8.230 nan 0.000 0.432 119 A N -0.505 122.344 122.820 0.049 0.000 1.883 119 A HA -0.275 4.045 4.320 -0.000 0.000 0.217 119 A C 2.548 180.155 177.584 0.039 0.000 1.186 119 A CA 1.944 54.008 52.037 0.045 0.000 0.624 119 A CB -0.696 18.335 19.000 0.051 0.000 0.822 119 A HN 0.491 nan 8.150 nan 0.000 0.444 120 R N -0.988 119.536 120.500 0.039 0.000 2.120 120 R HA -0.078 4.262 4.340 -0.000 0.000 0.234 120 R C 2.139 178.455 176.300 0.026 0.000 1.123 120 R CA 1.638 57.757 56.100 0.031 0.000 0.975 120 R CB -0.300 30.016 30.300 0.028 0.000 0.866 120 R HN 0.585 nan 8.270 nan 0.000 0.446 121 M N -0.312 119.307 119.600 0.031 0.000 2.086 121 M HA -0.125 4.355 4.480 -0.000 0.000 0.261 121 M C 2.457 178.765 176.300 0.013 0.000 1.067 121 M CA 1.905 57.219 55.300 0.023 0.000 1.116 121 M CB -0.246 32.373 32.600 0.031 0.000 1.348 121 M HN 0.297 nan 8.290 nan 0.000 0.407 122 A N -0.009 122.821 122.820 0.017 0.000 1.933 122 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 122 A C 1.036 178.628 177.584 0.014 0.000 1.175 122 A CA 1.665 53.709 52.037 0.013 0.000 0.628 122 A CB -0.415 18.596 19.000 0.019 0.000 0.814 122 A HN 0.527 nan 8.150 nan 0.000 0.444 123 N N -1.622 117.090 118.700 0.019 0.000 2.609 123 N HA 0.358 5.098 4.740 -0.000 0.000 0.268 123 N C -2.692 172.829 175.510 0.019 0.000 1.106 123 N CA -1.953 51.109 53.050 0.020 0.000 0.823 123 N CB 1.442 39.945 38.487 0.027 0.000 1.263 123 N HN -0.204 nan 8.380 nan 0.000 0.533 124 P HA -0.047 nan 4.420 nan 0.000 0.219 124 P C -0.529 176.776 177.300 0.009 0.000 1.146 124 P CA 1.225 64.330 63.100 0.009 0.000 0.808 124 P CB 0.241 31.944 31.700 0.004 0.000 0.779 125 D N -0.018 120.390 120.400 0.013 0.000 3.058 125 D HA 0.082 4.722 4.640 -0.000 0.000 0.272 125 D C 0.421 176.735 176.300 0.024 0.000 1.350 125 D CA -0.103 53.905 54.000 0.015 0.000 0.863 125 D CB 0.332 41.141 40.800 0.014 0.000 1.064 125 D HN 0.101 nan 8.370 nan 0.000 0.488 134 F N 4.287 124.305 119.950 0.113 0.000 2.410 134 F HA 0.764 5.291 4.527 -0.000 0.000 0.349 134 F C 0.395 176.323 175.800 0.213 0.000 1.117 134 F CA -0.548 57.569 58.000 0.195 0.000 1.104 134 F CB 1.899 41.071 39.000 0.287 0.000 1.122 134 F HN 0.450 nan 8.300 nan 0.000 0.483 135 V N 0.024 120.034 119.914 0.161 0.000 3.001 135 V HA 0.760 4.880 4.120 -0.000 0.000 0.314 135 V C -0.204 175.522 176.094 -0.614 0.000 1.099 135 V CA -1.171 61.093 62.300 -0.060 0.000 0.989 135 V CB 1.441 33.247 31.823 -0.027 0.000 1.040 135 V HN 0.717 nan 8.190 nan 0.000 0.434 136 S N 0.776 116.070 115.700 -0.677 0.000 2.576 136 S HA 0.352 4.822 4.470 -0.000 0.000 0.276 136 S C -0.304 174.136 174.600 -0.266 0.000 1.339 136 S CA -0.124 57.584 58.200 -0.821 0.000 1.039 136 S CB 0.863 63.836 63.200 -0.379 0.000 0.902 136 S HN 1.095 nan 8.310 nan 0.000 0.516 137 D N 2.940 123.262 120.400 -0.130 0.000 2.443 137 D HA 0.470 5.110 4.640 -0.000 0.000 0.221 137 D C -2.041 174.360 176.300 0.170 0.000 1.097 137 D CA -1.865 52.155 54.000 0.033 0.000 0.865 137 D CB 0.971 41.802 40.800 0.051 0.000 1.034 137 D HN 0.347 nan 8.370 nan 0.000 0.511 138 P HA 0.401 nan 4.420 nan 0.000 0.304 138 P C -0.585 176.787 177.300 0.120 0.000 1.310 138 P CA -0.484 62.669 63.100 0.089 0.000 0.796 138 P CB 2.033 33.762 31.700 0.048 0.000 1.297 139 T N -2.421 112.193 114.554 0.100 0.000 2.711 139 T HA 0.319 4.669 4.350 -0.000 0.000 0.302 139 T C -1.847 172.976 174.700 0.205 0.000 1.373 139 T CA -0.461 61.744 62.100 0.175 0.000 1.000 139 T CB 0.053 69.122 68.868 0.336 0.000 1.483 139 T HN 0.300 nan 8.240 nan 0.000 0.499 140 W N 3.452 124.778 121.300 0.044 0.000 2.417 140 W HA 0.285 4.945 4.660 -0.000 0.000 0.332 140 W C -2.052 174.382 176.519 -0.143 0.000 1.413 140 W CA -1.390 55.844 57.345 -0.184 0.000 1.299 140 W CB 0.279 29.433 29.460 -0.511 0.000 1.304 140 W HN 0.575 nan 8.180 nan 0.000 0.565 141 P HA -0.280 nan 4.420 nan 0.000 0.216 141 P C 1.016 178.073 177.300 -0.406 0.000 1.154 141 P CA 2.456 65.382 63.100 -0.290 0.000 0.865 141 P CB 0.270 31.785 31.700 -0.309 0.000 0.789 142 N N -2.100 116.074 118.700 -0.876 0.000 2.430 142 N HA -0.167 4.573 4.740 -0.000 0.000 0.186 142 N C 1.457 176.747 175.510 -0.366 0.000 1.032 142 N CA 0.929 53.474 53.050 -0.842 0.000 0.893 142 N CB -0.807 36.672 38.487 -1.681 0.000 0.957 142 N HN 0.460 nan 8.380 nan 0.000 0.442 143 H N -0.859 118.121 119.070 -0.149 0.000 2.307 143 H HA 0.027 4.582 4.556 -0.000 0.000 0.303 143 H C 1.780 177.103 175.328 -0.008 0.000 1.073 143 H CA 1.148 57.216 56.048 0.033 0.000 1.338 143 H CB 0.208 30.039 29.762 0.116 0.000 1.389 143 H HN -0.012 nan 8.280 nan 0.000 0.503 144 V N 0.820 120.795 119.914 0.101 0.000 2.358 144 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 144 V C 2.544 178.648 176.094 0.016 0.000 1.047 144 V CA 1.817 64.142 62.300 0.042 0.000 1.035 144 V CB -0.572 31.259 31.823 0.013 0.000 0.658 144 V HN 0.567 nan 8.190 nan 0.000 0.452 145 S N 0.638 116.318 115.700 -0.034 0.000 2.359 145 S HA -0.201 4.269 4.470 -0.000 0.000 0.224 145 S C 1.973 176.593 174.600 0.034 0.000 1.035 145 S CA 1.839 60.021 58.200 -0.030 0.000 1.018 145 S CB -0.754 62.381 63.200 -0.108 0.000 0.876 145 S HN 0.532 nan 8.310 nan 0.000 0.448 146 I N 1.268 121.855 120.570 0.029 0.000 2.226 146 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 146 I C 2.819 179.033 176.117 0.162 0.000 1.100 146 I CA 1.625 62.989 61.300 0.105 0.000 1.374 146 I CB -0.402 37.653 38.000 0.091 0.000 1.057 146 I HN 0.287 nan 8.210 nan 0.000 0.413 147 M N 0.204 119.869 119.600 0.108 0.000 2.117 147 M HA -0.190 4.290 4.480 -0.000 0.000 0.262 147 M C 2.038 178.381 176.300 0.072 0.000 1.065 147 M CA 1.640 56.990 55.300 0.083 0.000 1.114 147 M CB -0.451 32.183 32.600 0.055 0.000 1.361 147 M HN 0.238 nan 8.290 nan 0.000 0.408 148 N N 0.298 119.043 118.700 0.076 0.000 2.058 148 N HA -0.169 4.571 4.740 -0.000 0.000 0.191 148 N C 1.559 177.126 175.510 0.095 0.000 1.037 148 N CA 1.365 54.453 53.050 0.064 0.000 0.848 148 N CB -0.653 37.867 38.487 0.057 0.000 1.021 148 N HN 0.267 nan 8.380 nan 0.000 0.422 149 F N 1.498 121.441 119.950 -0.011 0.000 2.120 149 F HA -0.078 4.449 4.527 -0.000 0.000 0.300 149 F C 2.225 178.024 175.800 -0.002 0.000 1.095 149 F CA 1.353 59.348 58.000 -0.009 0.000 1.249 149 F CB -0.241 38.753 39.000 -0.009 0.000 0.995 149 F HN -0.022 nan 8.300 nan 0.000 0.480 150 M N -0.584 119.012 119.600 -0.006 0.000 2.492 150 M HA 0.119 4.599 4.480 -0.000 0.000 0.262 150 M C 1.480 177.720 176.300 -0.100 0.000 1.090 150 M CA 1.118 56.358 55.300 -0.100 0.000 1.110 150 M CB -0.409 32.208 32.600 0.028 0.000 1.407 150 M HN 0.377 nan 8.290 nan 0.000 0.470 151 G N 1.109 109.872 108.800 -0.061 0.000 2.149 151 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.235 151 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.235 151 G C -0.262 174.621 174.900 -0.029 0.000 1.018 151 G CA -0.359 44.710 45.100 -0.051 0.000 0.728 151 G HN 0.235 nan 8.290 nan 0.000 0.508 155 V N 2.665 122.530 119.914 -0.083 0.000 2.394 155 V HA 0.469 4.589 4.120 -0.000 0.000 0.282 155 V C 0.291 176.288 176.094 -0.162 0.000 1.031 155 V CA -0.259 61.978 62.300 -0.106 0.000 0.881 155 V CB 1.696 33.488 31.823 -0.052 0.000 0.982 155 V HN 0.501 nan 8.190 nan 0.000 0.451 156 Q N 2.146 121.779 119.800 -0.278 0.000 2.387 156 Q HA 0.679 5.019 4.340 -0.000 0.000 0.273 156 Q C -0.480 175.419 176.000 -0.169 0.000 1.089 156 Q CA -0.736 54.873 55.803 -0.323 0.000 0.824 156 Q CB 2.823 31.113 28.738 -0.746 0.000 1.367 156 Q HN 0.897 nan 8.270 nan 0.000 0.443 157 T N -1.496 113.034 114.554 -0.040 0.000 2.885 157 T HA 0.661 5.011 4.350 -0.000 0.000 0.285 157 T C -0.859 173.950 174.700 0.181 0.000 1.019 157 T CA -0.722 61.386 62.100 0.014 0.000 1.010 157 T CB 0.685 69.536 68.868 -0.028 0.000 1.022 157 T HN 0.500 nan 8.240 nan 0.000 0.466 158 Y N -0.421 120.010 120.300 0.218 0.000 2.429 158 Y HA 0.741 5.291 4.550 -0.000 0.000 0.342 158 Y C 0.152 176.157 175.900 0.174 0.000 1.004 158 Y CA -1.745 56.475 58.100 0.200 0.000 1.075 158 Y CB 1.044 39.624 38.460 0.199 0.000 1.214 158 Y HN 0.632 nan 8.280 nan 0.000 0.455 159 R N 2.016 122.695 120.500 0.299 0.000 2.623 159 R HA 0.064 4.404 4.340 -0.000 0.000 0.271 159 R C -0.812 175.695 176.300 0.346 0.000 1.043 159 R CA 0.540 56.772 56.100 0.220 0.000 1.083 159 R CB 0.246 30.622 30.300 0.126 0.000 0.974 159 R HN 0.971 nan 8.270 nan 0.000 0.436 160 Y N 2.194 122.576 120.300 0.136 0.000 3.260 160 Y HA 0.189 4.739 4.550 -0.000 0.000 0.202 160 Y C -0.444 175.520 175.900 0.106 0.000 0.962 160 Y CA -0.424 57.761 58.100 0.141 0.000 1.582 160 Y CB 0.260 38.783 38.460 0.105 0.000 1.478 160 Y HN 0.470 nan 8.280 nan 0.000 0.384 161 F N 3.580 123.555 119.950 0.041 0.000 2.456 161 F HA 0.240 4.767 4.527 -0.000 0.000 0.358 161 F C 0.094 175.855 175.800 -0.066 0.000 1.095 161 F CA -0.562 57.400 58.000 -0.063 0.000 1.216 161 F CB 0.415 39.444 39.000 0.050 0.000 1.125 161 F HN 0.118 nan 8.300 nan 0.000 0.549 162 D N 5.651 125.611 120.400 -0.734 0.000 2.479 162 D HA 0.243 4.883 4.640 -0.000 0.000 0.218 162 D C 0.955 176.770 176.300 -0.809 0.000 1.131 162 D CA 0.220 53.882 54.000 -0.564 0.000 0.916 162 D CB 1.345 41.904 40.800 -0.401 0.000 1.022 162 D HN 0.793 nan 8.370 nan 0.000 0.515 163 A N 4.013 126.528 122.820 -0.508 0.000 1.971 163 A HA -0.259 4.061 4.320 -0.000 0.000 0.222 163 A C 1.928 179.337 177.584 -0.292 0.000 1.182 163 A CA 1.619 53.476 52.037 -0.299 0.000 0.649 163 A CB -0.200 18.768 19.000 -0.052 0.000 0.818 163 A HN 0.662 nan 8.150 nan 0.000 0.458 164 E N -1.434 118.606 120.200 -0.267 0.000 2.021 164 E HA -0.105 4.245 4.350 -0.000 0.000 0.189 164 E C 2.194 178.630 176.600 -0.272 0.000 0.980 164 E CA 1.549 57.818 56.400 -0.219 0.000 0.803 164 E CB -0.101 29.506 29.700 -0.154 0.000 0.766 164 E HN 0.801 nan 8.360 nan 0.000 0.449 165 T N -2.010 112.370 114.554 -0.290 0.000 3.113 165 T HA 0.092 4.442 4.350 -0.000 0.000 0.256 165 T C 0.783 175.276 174.700 -0.346 0.000 1.131 165 T CA 0.207 62.152 62.100 -0.259 0.000 1.074 165 T CB 0.092 68.849 68.868 -0.186 0.000 0.944 165 T HN 0.057 nan 8.240 nan 0.000 0.516 166 R N 0.002 120.172 120.500 -0.550 0.000 4.000 166 R HA -0.120 4.220 4.340 -0.000 0.000 0.362 166 R C 0.853 177.015 176.300 -0.230 0.000 1.183 166 R CA 0.923 56.679 56.100 -0.574 0.000 1.011 166 R CB -2.071 27.816 30.300 -0.688 0.000 1.501 166 R HN 0.730 nan 8.270 nan 0.000 0.553 167 G N -1.433 107.179 108.800 -0.313 0.000 2.773 167 G HA2 0.557 4.517 3.960 -0.000 0.000 0.186 167 G HA3 0.557 4.517 3.960 -0.000 0.000 0.186 167 G C -0.751 173.990 174.900 -0.266 0.000 1.411 167 G CA -0.085 44.941 45.100 -0.124 0.000 1.054 167 G HN 0.046 nan 8.290 nan 0.000 0.579 168 V N 0.755 120.527 119.914 -0.236 0.000 2.398 168 V HA 0.243 4.363 4.120 -0.000 0.000 0.286 168 V C -0.589 175.374 176.094 -0.218 0.000 1.026 168 V CA -0.425 61.662 62.300 -0.356 0.000 0.868 168 V CB 1.558 33.123 31.823 -0.429 0.000 0.982 168 V HN 0.710 nan 8.190 nan 0.000 0.443 169 D N 3.363 123.638 120.400 -0.208 0.000 2.688 169 D HA 0.047 4.687 4.640 -0.000 0.000 0.228 169 D C 0.956 177.239 176.300 -0.027 0.000 1.116 169 D CA -0.185 53.754 54.000 -0.101 0.000 1.023 169 D CB -0.168 40.578 40.800 -0.090 0.000 1.100 169 D HN 0.414 nan 8.370 nan 0.000 0.487 170 F N 1.390 121.241 119.950 -0.165 0.000 2.202 170 F HA -0.132 4.395 4.527 -0.000 0.000 0.301 170 F C 1.907 177.655 175.800 -0.087 0.000 1.082 170 F CA 1.259 59.178 58.000 -0.134 0.000 1.313 170 F CB 0.100 39.020 39.000 -0.133 0.000 1.024 170 F HN 0.235 nan 8.300 nan 0.000 0.495 171 E N -0.141 120.011 120.200 -0.081 0.000 2.058 171 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 171 E C 2.508 179.010 176.600 -0.164 0.000 0.997 171 E CA 1.560 57.877 56.400 -0.139 0.000 0.801 171 E CB -1.030 28.636 29.700 -0.056 0.000 0.746 171 E HN 0.404 nan 8.360 nan 0.000 0.450 172 G N 0.138 108.877 108.800 -0.100 0.000 2.403 172 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.216 172 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.216 172 G C 1.610 176.475 174.900 -0.059 0.000 1.154 172 G CA 0.787 45.851 45.100 -0.059 0.000 0.784 172 G HN 0.283 nan 8.290 nan 0.000 0.538 173 M N 0.269 119.817 119.600 -0.086 0.000 2.080 173 M HA -0.041 4.439 4.480 -0.000 0.000 0.260 173 M C 2.492 178.643 176.300 -0.249 0.000 1.068 173 M CA 1.663 56.923 55.300 -0.067 0.000 1.109 173 M CB -0.138 32.443 32.600 -0.031 0.000 1.342 173 M HN 0.110 nan 8.290 nan 0.000 0.405 174 K N 0.106 120.247 120.400 -0.433 0.000 2.097 174 K HA -0.083 4.237 4.320 -0.000 0.000 0.205 174 K C 2.034 178.487 176.600 -0.244 0.000 1.050 174 K CA 1.309 57.346 56.287 -0.418 0.000 0.938 174 K CB -0.294 31.882 32.500 -0.540 0.000 0.718 174 K HN 0.457 nan 8.250 nan 0.000 0.442 175 A N 2.121 124.833 122.820 -0.180 0.000 1.858 175 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 175 A C 1.633 179.176 177.584 -0.068 0.000 1.190 175 A CA 1.948 53.923 52.037 -0.104 0.000 0.617 175 A CB -0.462 18.495 19.000 -0.070 0.000 0.827 175 A HN 0.165 nan 8.150 nan 0.000 0.443 176 D N 0.129 120.510 120.400 -0.032 0.000 2.117 176 D HA -0.103 4.537 4.640 -0.000 0.000 0.197 176 D C 1.912 178.180 176.300 -0.052 0.000 0.987 176 D CA 0.940 54.966 54.000 0.045 0.000 0.829 176 D CB -0.389 40.514 40.800 0.171 0.000 0.961 176 D HN 0.435 nan 8.370 nan 0.000 0.460 177 L N 0.584 121.695 121.223 -0.186 0.000 2.141 177 L HA -0.081 4.259 4.340 -0.000 0.000 0.209 177 L C 2.379 179.062 176.870 -0.311 0.000 1.094 177 L CA 0.765 55.385 54.840 -0.366 0.000 0.763 177 L CB -0.382 41.436 42.059 -0.402 0.000 0.908 177 L HN -0.019 nan 8.230 nan 0.000 0.437 178 A N 0.066 122.768 122.820 -0.197 0.000 2.070 178 A HA -0.086 4.234 4.320 -0.000 0.000 0.220 178 A C 2.391 179.907 177.584 -0.113 0.000 1.159 178 A CA 1.448 53.399 52.037 -0.143 0.000 0.656 178 A CB -0.422 18.515 19.000 -0.104 0.000 0.800 178 A HN 0.397 nan 8.150 nan 0.000 0.453 179 A N -0.567 122.194 122.820 -0.100 0.000 2.167 179 A HA 0.542 4.862 4.320 -0.000 0.000 0.214 179 A C 1.418 178.992 177.584 -0.017 0.000 1.151 179 A CA 0.766 52.794 52.037 -0.015 0.000 0.735 179 A CB -0.726 18.323 19.000 0.081 0.000 0.802 179 A HN 0.895 nan 8.150 nan 0.000 0.467 180 A N 0.495 123.167 122.820 -0.246 0.000 2.386 180 A HA 0.515 4.834 4.320 -0.000 0.000 0.246 180 A C 0.452 177.996 177.584 -0.068 0.000 1.089 180 A CA 0.334 52.204 52.037 -0.278 0.000 0.790 180 A CB 0.182 18.773 19.000 -0.682 0.000 1.042 180 A HN 0.645 nan 8.150 nan 0.000 0.497 181 K N -0.007 120.406 120.400 0.022 0.000 2.318 181 K HA 0.540 4.860 4.320 -0.000 0.000 0.265 181 K C -0.842 175.777 176.600 0.033 0.000 1.055 181 K CA -1.197 55.105 56.287 0.024 0.000 0.896 181 K CB 0.553 33.080 32.500 0.045 0.000 1.479 181 K HN 0.239 nan 8.250 nan 0.000 0.449 182 K N 0.328 120.743 120.400 0.026 0.000 2.524 182 K HA 0.046 4.366 4.320 -0.000 0.000 0.279 182 K C 0.985 177.610 176.600 0.043 0.000 0.993 182 K CA 1.963 58.266 56.287 0.027 0.000 1.030 182 K CB 0.227 32.739 32.500 0.020 0.000 0.891 182 K HN 0.944 nan 8.250 nan 0.000 0.488 183 G N 3.196 112.022 108.800 0.044 0.000 2.299 183 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.237 183 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.237 183 G C 0.051 174.995 174.900 0.075 0.000 1.027 183 G CA 0.257 45.388 45.100 0.051 0.000 0.619 183 G HN 0.614 nan 8.290 nan 0.000 0.513 184 D N 0.471 120.933 120.400 0.103 0.000 2.360 184 D HA 0.550 5.190 4.640 -0.000 0.000 0.242 184 D C 0.641 177.032 176.300 0.151 0.000 1.184 184 D CA 0.196 54.297 54.000 0.169 0.000 0.930 184 D CB 0.922 41.897 40.800 0.291 0.000 1.161 184 D HN 0.426 nan 8.370 nan 0.000 0.447 185 M N 0.761 120.483 119.600 0.203 0.000 2.465 185 M HA 0.424 4.904 4.480 -0.000 0.000 0.316 185 M C -1.821 174.621 176.300 0.237 0.000 1.121 185 M CA -0.788 54.610 55.300 0.164 0.000 0.934 185 M CB 1.798 34.472 32.600 0.123 0.000 1.692 185 M HN -0.005 nan 8.290 nan 0.000 0.444 186 V N 5.548 125.558 119.914 0.161 0.000 2.409 186 V HA 0.428 4.548 4.120 -0.000 0.000 0.291 186 V C -0.607 175.592 176.094 0.176 0.000 1.020 186 V CA -0.751 61.660 62.300 0.184 0.000 0.848 186 V CB 1.624 33.460 31.823 0.022 0.000 0.990 186 V HN 0.818 nan 8.190 nan 0.000 0.430 187 L N 6.230 127.593 121.223 0.233 0.000 2.264 187 L HA 0.535 4.875 4.340 -0.000 0.000 0.289 187 L C -1.178 175.830 176.870 0.230 0.000 1.044 187 L CA -0.325 54.594 54.840 0.132 0.000 0.807 187 L CB 0.740 42.784 42.059 -0.024 0.000 1.192 187 L HN 0.419 nan 8.230 nan 0.000 0.425 188 L N 4.513 125.855 121.223 0.198 0.000 2.341 188 L HA 0.479 4.819 4.340 -0.000 0.000 0.267 188 L C -0.248 176.797 176.870 0.291 0.000 1.009 188 L CA -0.569 54.461 54.840 0.317 0.000 0.819 188 L CB 1.801 44.071 42.059 0.353 0.000 1.323 188 L HN 0.555 nan 8.230 nan 0.000 0.425 189 H N 1.310 120.558 119.070 0.297 0.000 2.594 189 H HA 0.144 4.700 4.556 -0.000 0.000 0.304 189 H C 0.955 176.541 175.328 0.430 0.000 1.068 189 H CA 0.050 56.272 56.048 0.290 0.000 1.308 189 H CB 1.698 31.606 29.762 0.244 0.000 1.409 189 H HN 0.890 nan 8.280 nan 0.000 0.460 190 G N 2.979 112.019 108.800 0.400 0.000 2.475 190 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.220 190 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.220 190 G C 0.695 175.794 174.900 0.332 0.000 1.125 190 G CA 1.200 46.474 45.100 0.290 0.000 0.755 190 G HN 0.769 nan 8.290 nan 0.000 0.565 191 C N -5.234 114.288 119.300 0.369 0.000 3.233 191 C HA 0.454 4.914 4.460 -0.000 0.000 0.358 191 C C 0.433 175.626 174.990 0.338 0.000 1.461 191 C CA -1.067 58.155 59.018 0.340 0.000 1.180 191 C CB 0.433 28.309 27.740 0.227 0.000 1.604 191 C HN 0.832 nan 8.230 nan 0.000 0.437 192 C N 2.223 121.681 119.300 0.263 0.000 2.862 192 C HA -0.118 4.342 4.460 -0.000 0.000 0.237 192 C C 0.612 175.730 174.990 0.213 0.000 1.339 192 C CA 1.169 60.292 59.018 0.174 0.000 2.397 192 C CB -3.223 24.552 27.740 0.059 0.000 1.520 192 C HN 1.141 nan 8.230 nan 0.000 0.423 193 H N 2.413 121.554 119.070 0.118 0.000 3.145 193 H HA 0.047 4.603 4.556 -0.000 0.000 0.288 193 H C 0.547 175.857 175.328 -0.030 0.000 0.969 193 H CA 0.922 56.946 56.048 -0.041 0.000 1.444 193 H CB 0.445 30.144 29.762 -0.104 0.000 1.500 193 H HN 0.699 nan 8.280 nan 0.000 0.552 194 N N 7.143 125.651 118.700 -0.319 0.000 2.426 194 N HA 0.113 4.853 4.740 -0.000 0.000 0.275 194 N C -1.994 173.273 175.510 -0.405 0.000 1.019 194 N CA -2.175 50.755 53.050 -0.199 0.000 0.941 194 N CB 1.566 40.011 38.487 -0.070 0.000 1.123 194 N HN 0.407 nan 8.380 nan 0.000 0.486 195 P HA 0.067 nan 4.420 nan 0.000 0.264 195 P C 0.852 178.091 177.300 -0.101 0.000 1.259 195 P CA 0.393 63.352 63.100 -0.235 0.000 0.841 195 P CB 0.340 31.907 31.700 -0.222 0.000 1.232 196 T N -3.440 111.106 114.554 -0.014 0.000 2.770 196 T HA 0.108 4.458 4.350 -0.000 0.000 0.263 196 T C 1.816 176.380 174.700 -0.227 0.000 1.039 196 T CA 1.696 63.661 62.100 -0.224 0.000 1.142 196 T CB -1.353 67.288 68.868 -0.378 0.000 0.868 196 T HN 0.188 nan 8.240 nan 0.000 0.435 197 G N 1.426 110.208 108.800 -0.030 0.000 2.175 197 G HA2 0.003 3.963 3.960 -0.000 0.000 0.244 197 G HA3 0.003 3.963 3.960 -0.000 0.000 0.244 197 G C 0.232 175.055 174.900 -0.128 0.000 0.982 197 G CA 0.043 45.095 45.100 -0.079 0.000 0.641 197 G HN 1.263 nan 8.290 nan 0.000 0.527 198 A N 0.258 123.026 122.820 -0.086 0.000 2.328 198 A HA 0.689 5.009 4.320 -0.000 0.000 0.284 198 A C 0.186 177.884 177.584 0.190 0.000 1.160 198 A CA -0.149 51.946 52.037 0.098 0.000 0.818 198 A CB 0.387 19.495 19.000 0.179 0.000 1.087 198 A HN 0.377 nan 8.150 nan 0.000 0.504 199 N N 1.550 120.360 118.700 0.184 0.000 2.262 199 N HA 0.437 5.177 4.740 -0.000 0.000 0.295 199 N C -1.050 174.545 175.510 0.142 0.000 1.161 199 N CA -0.555 52.639 53.050 0.240 0.000 0.767 199 N CB 1.634 40.280 38.487 0.264 0.000 1.499 199 N HN 0.554 nan 8.380 nan 0.000 0.476 200 L N 0.917 122.233 121.223 0.154 0.000 2.436 200 L HA 0.290 4.630 4.340 -0.000 0.000 0.265 200 L C 1.372 178.321 176.870 0.131 0.000 1.168 200 L CA -0.280 54.523 54.840 -0.061 0.000 0.815 200 L CB 0.633 42.404 42.059 -0.480 0.000 1.109 200 L HN 0.647 nan 8.230 nan 0.000 0.462 201 T N -1.306 113.247 114.554 -0.001 0.000 2.912 201 T HA 0.319 4.669 4.350 -0.000 0.000 0.280 201 T C 1.161 176.022 174.700 0.267 0.000 0.989 201 T CA -0.823 61.345 62.100 0.113 0.000 0.995 201 T CB 1.173 70.035 68.868 -0.009 0.000 1.077 201 T HN 0.475 nan 8.240 nan 0.000 0.531 202 L N 0.291 121.649 121.223 0.225 0.000 2.079 202 L HA -0.111 4.229 4.340 -0.000 0.000 0.210 202 L C 2.488 179.462 176.870 0.175 0.000 1.081 202 L CA 1.571 56.545 54.840 0.223 0.000 0.752 202 L CB -0.441 41.674 42.059 0.093 0.000 0.896 202 L HN 0.764 nan 8.230 nan 0.000 0.433 203 D N -0.691 119.752 120.400 0.072 0.000 2.117 203 D HA -0.209 4.431 4.640 -0.000 0.000 0.197 203 D C 2.129 178.423 176.300 -0.010 0.000 0.987 203 D CA 1.222 55.238 54.000 0.027 0.000 0.829 203 D CB -0.069 40.722 40.800 -0.015 0.000 0.961 203 D HN 0.508 nan 8.370 nan 0.000 0.460 204 Q N -0.400 119.298 119.800 -0.169 0.000 2.119 204 Q HA -0.150 4.190 4.340 -0.000 0.000 0.201 204 Q C 2.118 178.057 176.000 -0.101 0.000 0.972 204 Q CA 1.016 56.533 55.803 -0.476 0.000 0.847 204 Q CB -0.131 27.942 28.738 -1.109 0.000 0.903 204 Q HN 0.408 nan 8.270 nan 0.000 0.433 205 W N 0.569 121.857 121.300 -0.020 0.000 2.363 205 W HA -0.153 4.507 4.660 -0.000 0.000 0.296 205 W C 2.498 179.058 176.519 0.068 0.000 1.212 205 W CA 1.128 58.507 57.345 0.056 0.000 1.260 205 W CB -0.221 29.264 29.460 0.041 0.000 1.131 205 W HN 0.157 nan 8.180 nan 0.000 0.530 206 A N 0.246 123.230 122.820 0.274 0.000 1.902 206 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 206 A C 1.749 179.424 177.584 0.151 0.000 1.181 206 A CA 1.831 53.976 52.037 0.179 0.000 0.623 206 A CB -0.722 18.353 19.000 0.124 0.000 0.818 206 A HN 0.386 nan 8.150 nan 0.000 0.443 207 E N -0.431 119.869 120.200 0.168 0.000 2.106 207 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 207 E C 1.806 178.483 176.600 0.128 0.000 0.984 207 E CA 0.874 57.373 56.400 0.164 0.000 0.806 207 E CB -0.174 29.688 29.700 0.270 0.000 0.750 207 E HN 0.502 nan 8.360 nan 0.000 0.458 208 I N 1.172 121.838 120.570 0.160 0.000 2.252 208 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 208 I C 2.475 178.628 176.117 0.060 0.000 1.102 208 I CA 1.033 62.370 61.300 0.062 0.000 1.385 208 I CB -1.336 36.673 38.000 0.016 0.000 1.064 208 I HN 0.016 nan 8.210 nan 0.000 0.414 209 A N 1.057 123.952 122.820 0.124 0.000 1.908 209 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 209 A C 2.525 180.143 177.584 0.055 0.000 1.181 209 A CA 2.369 54.470 52.037 0.106 0.000 0.627 209 A CB -0.815 18.264 19.000 0.132 0.000 0.818 209 A HN 0.566 nan 8.150 nan 0.000 0.445 210 S N 0.009 115.739 115.700 0.049 0.000 2.383 210 S HA -0.080 4.390 4.470 -0.000 0.000 0.227 210 S C 1.849 176.447 174.600 -0.003 0.000 1.026 210 S CA 1.310 59.525 58.200 0.024 0.000 0.981 210 S CB -0.701 62.516 63.200 0.027 0.000 0.818 210 S HN 0.493 nan 8.310 nan 0.000 0.472 211 I N 1.465 122.023 120.570 -0.021 0.000 2.202 211 I HA -0.136 4.034 4.170 -0.000 0.000 0.242 211 I C 2.471 178.550 176.117 -0.064 0.000 1.091 211 I CA 1.100 62.363 61.300 -0.062 0.000 1.368 211 I CB -0.449 37.486 38.000 -0.109 0.000 1.058 211 I HN 0.265 nan 8.210 nan 0.000 0.410 212 L N 0.790 121.985 121.223 -0.046 0.000 1.989 212 L HA -0.242 4.098 4.340 -0.000 0.000 0.211 212 L C 2.727 179.584 176.870 -0.022 0.000 1.071 212 L CA 2.016 56.833 54.840 -0.039 0.000 0.749 212 L CB -0.823 41.233 42.059 -0.004 0.000 0.890 212 L HN 0.385 nan 8.230 nan 0.000 0.431 213 E N 0.501 120.699 120.200 -0.004 0.000 2.204 213 E HA -0.290 4.060 4.350 -0.000 0.000 0.195 213 E C 2.092 178.687 176.600 -0.008 0.000 0.990 213 E CA 1.228 57.629 56.400 0.001 0.000 0.821 213 E CB -0.269 29.437 29.700 0.011 0.000 0.750 213 E HN 0.431 nan 8.360 nan 0.000 0.477 214 K N 1.098 121.488 120.400 -0.017 0.000 2.155 214 K HA -0.093 4.227 4.320 -0.000 0.000 0.203 214 K C 2.066 178.649 176.600 -0.027 0.000 1.052 214 K CA 1.738 58.012 56.287 -0.021 0.000 0.948 214 K CB 0.000 32.484 32.500 -0.027 0.000 0.728 214 K HN 0.314 nan 8.250 nan 0.000 0.448 215 T N -3.807 110.724 114.554 -0.040 0.000 3.051 215 T HA 0.174 4.523 4.350 -0.000 0.000 0.255 215 T C 1.337 176.021 174.700 -0.027 0.000 1.085 215 T CA 0.540 62.614 62.100 -0.045 0.000 1.109 215 T CB 0.269 69.086 68.868 -0.084 0.000 0.921 215 T HN 0.328 nan 8.240 nan 0.000 0.488 216 G N 1.571 110.359 108.800 -0.019 0.000 2.143 216 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.248 216 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.248 216 G C 0.195 175.096 174.900 0.000 0.000 0.991 216 G CA -0.086 45.011 45.100 -0.004 0.000 0.689 216 G HN 1.180 nan 8.290 nan 0.000 0.522 217 A N -0.196 122.615 122.820 -0.015 0.000 2.366 217 A HA 0.716 5.036 4.320 -0.000 0.000 0.272 217 A C 0.424 178.017 177.584 0.014 0.000 1.135 217 A CA -0.158 51.877 52.037 -0.004 0.000 0.804 217 A CB 0.818 19.786 19.000 -0.054 0.000 1.064 217 A HN 1.561 nan 8.150 nan 0.000 0.499 218 L N 5.738 126.983 121.223 0.038 0.000 2.418 218 L HA 0.401 4.741 4.340 -0.000 0.000 0.274 218 L C -2.073 174.831 176.870 0.058 0.000 1.135 218 L CA -1.224 53.643 54.840 0.046 0.000 0.870 218 L CB 0.581 42.671 42.059 0.051 0.000 1.154 218 L HN 0.446 nan 8.230 nan 0.000 0.462 219 P HA 0.229 nan 4.420 nan 0.000 0.290 219 P C -1.450 175.900 177.300 0.084 0.000 1.276 219 P CA -0.649 62.499 63.100 0.080 0.000 0.808 219 P CB 1.813 33.571 31.700 0.096 0.000 0.966 220 L N 4.917 126.194 121.223 0.090 0.000 2.325 220 L HA 0.505 4.845 4.340 -0.000 0.000 0.281 220 L C -0.862 176.057 176.870 0.083 0.000 1.004 220 L CA -0.705 54.179 54.840 0.074 0.000 0.823 220 L CB 0.715 42.808 42.059 0.057 0.000 1.236 220 L HN 0.254 nan 8.230 nan 0.000 0.415 221 I N 4.332 124.952 120.570 0.083 0.000 2.354 221 I HA 0.303 4.473 4.170 -0.000 0.000 0.292 221 I C -0.625 175.528 176.117 0.059 0.000 0.989 221 I CA -0.569 60.791 61.300 0.100 0.000 1.188 221 I CB 1.670 39.736 38.000 0.110 0.000 1.342 221 I HN 0.546 nan 8.210 nan 0.000 0.457 222 D N 7.280 127.700 120.400 0.033 0.000 2.396 222 D HA 0.211 4.851 4.640 -0.000 0.000 0.225 222 D C -0.984 175.334 176.300 0.029 0.000 1.121 222 D CA -0.386 53.615 54.000 0.000 0.000 0.853 222 D CB 1.299 42.051 40.800 -0.079 0.000 1.043 222 D HN 0.208 nan 8.370 nan 0.000 0.500 223 L N 4.293 125.533 121.223 0.028 0.000 2.417 223 L HA 0.487 4.827 4.340 -0.000 0.000 0.258 223 L C 0.719 177.587 176.870 -0.003 0.000 1.088 223 L CA -0.210 54.657 54.840 0.045 0.000 0.975 223 L CB 0.675 42.761 42.059 0.044 0.000 1.341 223 L HN 0.455 nan 8.230 nan 0.000 0.431 224 A N 3.225 126.015 122.820 -0.049 0.000 2.063 224 A HA 0.143 4.463 4.320 -0.000 0.000 0.211 224 A C 0.652 178.009 177.584 -0.377 0.000 1.177 224 A CA 0.533 52.410 52.037 -0.267 0.000 0.759 224 A CB -0.020 18.690 19.000 -0.484 0.000 0.857 224 A HN 0.601 nan 8.150 nan 0.000 0.468 225 Y N 0.152 120.477 120.300 0.042 0.000 2.716 225 Y HA 0.292 4.842 4.550 -0.000 0.000 0.260 225 Y C 0.611 176.668 175.900 0.262 0.000 1.141 225 Y CA -0.714 57.448 58.100 0.104 0.000 1.168 225 Y CB 0.011 38.467 38.460 -0.006 0.000 1.189 225 Y HN 0.388 nan 8.280 nan 0.000 0.549 226 Q N 1.168 121.136 119.800 0.280 0.000 2.292 226 Q HA 0.261 4.601 4.340 -0.000 0.000 0.290 226 Q C 1.066 177.166 176.000 0.167 0.000 1.161 226 Q CA 1.491 57.412 55.803 0.196 0.000 0.974 226 Q CB -0.190 28.628 28.738 0.133 0.000 1.136 226 Q HN 0.794 nan 8.270 nan 0.000 0.398 227 G N 3.228 112.080 108.800 0.087 0.000 2.296 227 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.188 227 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.188 227 G C 0.105 174.844 174.900 -0.268 0.000 1.000 227 G CA -0.060 44.949 45.100 -0.151 0.000 0.672 227 G HN 0.617 nan 8.290 nan 0.000 0.483 228 F N 1.800 121.738 119.950 -0.020 0.000 2.749 228 F HA 0.404 4.931 4.527 -0.000 0.000 0.300 228 F C 2.287 178.059 175.800 -0.047 0.000 1.103 228 F CA 1.048 59.023 58.000 -0.043 0.000 1.342 228 F CB 0.457 39.456 39.000 -0.000 0.000 1.098 228 F HN 0.310 nan 8.300 nan 0.000 0.586 229 G N -0.378 108.498 108.800 0.127 0.000 2.618 229 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.222 229 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.222 229 G C 0.929 175.847 174.900 0.030 0.000 1.520 229 G CA 0.441 45.593 45.100 0.086 0.000 0.930 229 G HN 0.131 nan 8.290 nan 0.000 0.547 230 D N 0.101 120.511 120.400 0.016 0.000 2.469 230 D HA 0.364 5.004 4.640 -0.000 0.000 0.213 230 D C 1.026 177.295 176.300 -0.050 0.000 1.135 230 D CA 0.878 54.870 54.000 -0.012 0.000 0.834 230 D CB 2.004 42.809 40.800 0.008 0.000 1.009 230 D HN 0.568 nan 8.370 nan 0.000 0.507 234 E N 0.818 120.982 120.200 -0.059 0.000 2.072 234 E HA -0.211 4.139 4.350 -0.000 0.000 0.190 234 E C 1.521 178.094 176.600 -0.046 0.000 0.982 234 E CA 1.455 57.829 56.400 -0.044 0.000 0.803 234 E CB 0.083 29.758 29.700 -0.042 0.000 0.755 234 E HN 0.332 nan 8.360 nan 0.000 0.453 235 E N 1.532 121.704 120.200 -0.046 0.000 2.110 235 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 235 E C 1.287 177.866 176.600 -0.035 0.000 0.988 235 E CA 1.182 57.558 56.400 -0.039 0.000 0.804 235 E CB -0.119 29.564 29.700 -0.029 0.000 0.745 235 E HN 0.083 nan 8.360 nan 0.000 0.458 236 D N -0.741 119.647 120.400 -0.021 0.000 2.312 236 D HA -0.015 4.625 4.640 -0.000 0.000 0.211 236 D C 1.169 177.449 176.300 -0.033 0.000 0.964 236 D CA 1.113 55.116 54.000 0.004 0.000 0.877 236 D CB 0.013 40.841 40.800 0.047 0.000 0.924 236 D HN 0.306 nan 8.370 nan 0.000 0.515 237 A N 0.284 123.070 122.820 -0.056 0.000 2.238 237 A HA 0.391 4.711 4.320 -0.000 0.000 0.210 237 A C 2.137 179.628 177.584 -0.155 0.000 1.179 237 A CA 0.811 52.796 52.037 -0.086 0.000 0.827 237 A CB 0.001 18.973 19.000 -0.047 0.000 0.856 237 A HN 0.133 nan 8.150 nan 0.000 0.488 238 A N 0.311 123.034 122.820 -0.161 0.000 1.873 238 A HA -0.015 4.305 4.320 -0.000 0.000 0.218 238 A C 2.380 179.763 177.584 -0.336 0.000 1.193 238 A CA 2.140 54.064 52.037 -0.188 0.000 0.629 238 A CB -1.441 17.478 19.000 -0.136 0.000 0.826 238 A HN 0.758 nan 8.150 nan 0.000 0.447 239 G N -1.530 106.893 108.800 -0.629 0.000 2.440 239 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.218 239 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.218 239 G C 1.573 175.938 174.900 -0.892 0.000 1.154 239 G CA 1.714 46.045 45.100 -1.282 0.000 0.767 239 G HN 0.455 nan 8.290 nan 0.000 0.552 240 T N 0.573 114.763 114.554 -0.607 0.000 2.746 240 T HA -0.086 4.263 4.350 -0.000 0.000 0.267 240 T C 2.493 177.087 174.700 -0.177 0.000 1.039 240 T CA 1.208 63.126 62.100 -0.303 0.000 1.142 240 T CB -0.142 68.623 68.868 -0.171 0.000 0.866 240 T HN 0.276 nan 8.240 nan 0.000 0.444 241 R N 0.348 120.747 120.500 -0.168 0.000 2.115 241 R HA 0.070 4.410 4.340 -0.000 0.000 0.230 241 R C 2.366 178.620 176.300 -0.076 0.000 1.111 241 R CA 0.576 56.617 56.100 -0.098 0.000 0.976 241 R CB -0.377 29.871 30.300 -0.086 0.000 0.870 241 R HN 0.223 nan 8.270 nan 0.000 0.445 242 L N 1.155 122.315 121.223 -0.106 0.000 2.005 242 L HA -0.153 4.187 4.340 -0.000 0.000 0.207 242 L C 2.012 178.888 176.870 0.010 0.000 1.072 242 L CA 1.831 56.648 54.840 -0.038 0.000 0.744 242 L CB -0.626 41.416 42.059 -0.028 0.000 0.895 242 L HN 0.144 nan 8.230 nan 0.000 0.433 243 I N 0.566 121.146 120.570 0.016 0.000 2.208 243 I HA -0.234 3.936 4.170 -0.000 0.000 0.245 243 I C 2.795 178.935 176.117 0.038 0.000 1.097 243 I CA 1.403 62.746 61.300 0.072 0.000 1.363 243 I CB -1.670 36.401 38.000 0.117 0.000 1.051 243 I HN 0.243 nan 8.210 nan 0.000 0.413 244 A N 0.887 123.711 122.820 0.007 0.000 2.015 244 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 244 A C 2.409 179.997 177.584 0.007 0.000 1.163 244 A CA 1.917 53.957 52.037 0.005 0.000 0.646 244 A CB -0.582 18.412 19.000 -0.011 0.000 0.806 244 A HN 0.573 nan 8.150 nan 0.000 0.448 245 S N -1.577 114.126 115.700 0.005 0.000 2.528 245 S HA 0.095 4.565 4.470 -0.000 0.000 0.219 245 S C 1.781 176.391 174.600 0.016 0.000 0.985 245 S CA 0.652 58.856 58.200 0.007 0.000 0.914 245 S CB -0.018 63.184 63.200 0.002 0.000 0.776 245 S HN 0.614 nan 8.310 nan 0.000 0.526 246 R N -0.004 120.511 120.500 0.026 0.000 2.142 246 R HA 0.339 4.679 4.340 -0.000 0.000 0.204 246 R C -0.291 176.027 176.300 0.030 0.000 1.059 246 R CA 0.235 56.354 56.100 0.031 0.000 1.055 246 R CB 0.258 30.586 30.300 0.045 0.000 0.976 246 R HN 0.282 nan 8.270 nan 0.000 0.483 247 I N 3.686 124.277 120.570 0.035 0.000 2.325 247 I HA 0.182 4.352 4.170 -0.000 0.000 0.291 247 I C -1.565 174.568 176.117 0.026 0.000 1.019 247 I CA -2.732 58.587 61.300 0.032 0.000 1.302 247 I CB 1.158 39.183 38.000 0.042 0.000 1.401 247 I HN 0.102 nan 8.210 nan 0.000 0.485 248 P HA -0.102 nan 4.420 nan 0.000 0.222 248 P C 0.242 177.553 177.300 0.019 0.000 1.147 248 P CA 1.108 64.219 63.100 0.018 0.000 0.790 248 P CB 0.843 32.552 31.700 0.015 0.000 0.780 249 E N -0.257 119.957 120.200 0.023 0.000 2.265 249 E HA 0.448 4.798 4.350 -0.000 0.000 0.262 249 E C -1.550 175.069 176.600 0.032 0.000 0.889 249 E CA -0.610 55.806 56.400 0.025 0.000 0.789 249 E CB 2.163 31.877 29.700 0.024 0.000 1.221 249 E HN -0.256 nan 8.360 nan 0.000 0.414 250 V N 3.633 123.567 119.914 0.033 0.000 3.007 250 V HA 0.500 4.620 4.120 -0.000 0.000 0.311 250 V C -1.160 174.957 176.094 0.039 0.000 1.120 250 V CA -0.931 61.393 62.300 0.040 0.000 0.980 250 V CB 2.009 33.856 31.823 0.040 0.000 1.033 250 V HN 0.516 nan 8.190 nan 0.000 0.429 251 L N 3.751 125.002 121.223 0.047 0.000 2.356 251 L HA 0.663 5.003 4.340 -0.000 0.000 0.277 251 L C -0.688 176.211 176.870 0.048 0.000 0.996 251 L CA -0.017 54.851 54.840 0.046 0.000 0.822 251 L CB 1.620 43.710 42.059 0.052 0.000 1.256 251 L HN 0.481 nan 8.230 nan 0.000 0.413 252 I N 2.851 123.445 120.570 0.041 0.000 2.447 252 I HA 0.639 4.809 4.170 -0.000 0.000 0.287 252 I C -0.219 175.922 176.117 0.040 0.000 1.023 252 I CA -0.743 60.580 61.300 0.038 0.000 1.083 252 I CB 2.047 40.061 38.000 0.023 0.000 1.245 252 I HN 0.652 nan 8.210 nan 0.000 0.434 253 A N 5.405 128.252 122.820 0.045 0.000 2.322 253 A HA 0.838 5.158 4.320 -0.000 0.000 0.327 253 A C -0.030 177.575 177.584 0.035 0.000 1.394 253 A CA -0.401 51.667 52.037 0.051 0.000 0.921 253 A CB 0.480 19.520 19.000 0.067 0.000 1.153 253 A HN 0.782 nan 8.150 nan 0.000 0.523 254 A N 1.853 124.693 122.820 0.033 0.000 2.306 254 A HA 0.809 5.129 4.320 -0.000 0.000 0.330 254 A C 0.280 177.879 177.584 0.025 0.000 1.146 254 A CA -0.297 51.754 52.037 0.023 0.000 0.827 254 A CB 1.041 20.054 19.000 0.021 0.000 1.178 254 A HN 1.244 nan 8.150 nan 0.000 0.490 255 S N -0.223 115.477 115.700 -0.001 0.000 2.500 255 S HA 0.410 4.880 4.470 -0.000 0.000 0.301 255 S C -0.005 174.609 174.600 0.023 0.000 1.092 255 S CA -0.563 57.625 58.200 -0.019 0.000 1.030 255 S CB 0.957 64.086 63.200 -0.118 0.000 1.031 255 S HN 0.765 nan 8.310 nan 0.000 0.483 256 C N 3.103 122.428 119.300 0.042 0.000 3.038 256 C HA 0.263 4.723 4.460 -0.000 0.000 0.279 256 C C 2.435 177.449 174.990 0.041 0.000 1.276 256 C CA -0.244 58.851 59.018 0.128 0.000 1.697 256 C CB -1.484 26.269 27.740 0.021 0.000 2.032 256 C HN 0.887 nan 8.230 nan 0.000 0.636 257 S N 2.051 117.690 115.700 -0.102 0.000 2.353 257 S HA -0.189 4.281 4.470 -0.000 0.000 0.222 257 S C 1.897 176.088 174.600 -0.682 0.000 1.035 257 S CA 1.716 59.734 58.200 -0.303 0.000 1.025 257 S CB -0.029 63.051 63.200 -0.199 0.000 0.902 257 S HN 0.661 nan 8.310 nan 0.000 0.440 258 K N 1.716 121.846 120.400 -0.450 0.000 2.078 258 K HA 0.075 4.395 4.320 -0.000 0.000 0.203 258 K C 1.805 178.503 176.600 0.163 0.000 1.043 258 K CA 1.075 57.157 56.287 -0.342 0.000 0.960 258 K CB -0.281 31.978 32.500 -0.401 0.000 0.761 258 K HN 0.376 nan 8.250 nan 0.000 0.448 259 N N 0.186 119.085 118.700 0.332 0.000 2.453 259 N HA -0.131 4.609 4.740 -0.000 0.000 0.183 259 N C 0.851 176.526 175.510 0.275 0.000 1.041 259 N CA 1.256 54.561 53.050 0.425 0.000 0.900 259 N CB -0.263 38.439 38.487 0.358 0.000 0.961 259 N HN 0.137 nan 8.380 nan 0.000 0.443 260 F N -0.713 119.365 119.950 0.214 0.000 2.706 260 F HA 0.411 4.938 4.527 -0.000 0.000 0.308 260 F C 1.626 177.470 175.800 0.074 0.000 1.095 260 F CA 0.138 58.211 58.000 0.123 0.000 1.244 260 F CB 0.343 39.276 39.000 -0.111 0.000 1.063 260 F HN 0.171 nan 8.300 nan 0.000 0.582 261 G N 2.216 111.096 108.800 0.134 0.000 2.249 261 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.273 261 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.273 261 G C 0.495 175.469 174.900 0.123 0.000 1.036 261 G CA 0.614 45.774 45.100 0.100 0.000 0.824 261 G HN 0.601 nan 8.290 nan 0.000 0.504 262 I N -3.653 116.912 120.570 -0.008 0.000 3.266 262 I HA 0.453 4.623 4.170 -0.000 0.000 0.346 262 I C 1.519 177.675 176.117 0.065 0.000 1.458 262 I CA -1.306 60.037 61.300 0.072 0.000 0.997 262 I CB -0.305 37.707 38.000 0.021 0.000 1.733 262 I HN 0.002 nan 8.210 nan 0.000 0.507 263 Y N 2.609 122.961 120.300 0.086 0.000 2.040 263 Y HA -0.306 4.244 4.550 -0.000 0.000 0.275 263 Y C 2.825 178.749 175.900 0.040 0.000 1.171 263 Y CA 2.417 60.554 58.100 0.061 0.000 1.123 263 Y CB -0.665 37.836 38.460 0.069 0.000 0.963 263 Y HN 0.448 nan 8.280 nan 0.000 0.493 264 R N 0.543 121.182 120.500 0.231 0.000 2.328 264 R HA -0.083 4.257 4.340 -0.000 0.000 0.207 264 R C 1.215 177.557 176.300 0.070 0.000 1.056 264 R CA 1.303 57.474 56.100 0.120 0.000 1.016 264 R CB -0.380 29.975 30.300 0.092 0.000 0.872 264 R HN 0.325 nan 8.270 nan 0.000 0.471 265 E N 1.266 121.506 120.200 0.066 0.000 2.216 265 E HA -0.018 4.332 4.350 -0.000 0.000 0.192 265 E C -0.133 176.459 176.600 -0.012 0.000 0.988 265 E CA 0.197 56.614 56.400 0.029 0.000 0.834 265 E CB 0.084 29.800 29.700 0.026 0.000 0.772 265 E HN 0.175 nan 8.360 nan 0.000 0.479 266 R N 0.468 120.964 120.500 -0.006 0.000 2.983 266 R HA -0.115 4.225 4.340 -0.000 0.000 0.272 266 R C -0.278 175.981 176.300 -0.069 0.000 0.926 266 R CA 0.853 56.938 56.100 -0.025 0.000 0.667 266 R CB -3.113 27.166 30.300 -0.036 0.000 1.540 266 R HN 0.299 nan 8.270 nan 0.000 0.467 267 T N -1.370 113.143 114.554 -0.069 0.000 2.921 267 T HA 0.798 5.148 4.350 -0.000 0.000 0.297 267 T C 0.166 174.864 174.700 -0.004 0.000 1.013 267 T CA 0.335 62.371 62.100 -0.106 0.000 0.990 267 T CB 2.272 71.001 68.868 -0.232 0.000 1.023 267 T HN 0.766 nan 8.240 nan 0.000 0.447 268 G N 1.076 109.922 108.800 0.077 0.000 2.548 268 G HA2 0.689 4.649 3.960 -0.000 0.000 0.301 268 G HA3 0.689 4.649 3.960 -0.000 0.000 0.301 268 G C -0.872 174.185 174.900 0.263 0.000 1.349 268 G CA -0.147 45.048 45.100 0.159 0.000 0.792 268 G HN 1.755 nan 8.290 nan 0.000 0.481 269 C N -1.257 118.154 119.300 0.185 0.000 3.170 269 C HA 0.825 5.285 4.460 -0.000 0.000 0.319 269 C C -1.295 173.752 174.990 0.094 0.000 1.260 269 C CA -1.028 58.095 59.018 0.176 0.000 1.374 269 C CB 0.721 28.546 27.740 0.141 0.000 1.739 269 C HN 1.113 nan 8.230 nan 0.000 0.479 270 L N 2.727 124.006 121.223 0.094 0.000 2.296 270 L HA 0.780 5.120 4.340 -0.000 0.000 0.286 270 L C -0.805 176.095 176.870 0.050 0.000 1.023 270 L CA -0.605 54.277 54.840 0.071 0.000 0.812 270 L CB 1.059 43.167 42.059 0.081 0.000 1.223 270 L HN 0.817 nan 8.230 nan 0.000 0.421 271 L N 5.697 126.940 121.223 0.034 0.000 2.305 271 L HA 0.737 5.077 4.340 -0.000 0.000 0.284 271 L C -0.117 176.769 176.870 0.027 0.000 1.013 271 L CA -0.665 54.187 54.840 0.020 0.000 0.819 271 L CB 1.675 43.736 42.059 0.003 0.000 1.227 271 L HN 0.783 nan 8.230 nan 0.000 0.417 272 A N 5.769 128.605 122.820 0.027 0.000 2.277 272 A HA 0.621 4.941 4.320 -0.000 0.000 0.318 272 A C -0.481 177.116 177.584 0.021 0.000 1.339 272 A CA -0.441 51.613 52.037 0.028 0.000 0.875 272 A CB 0.285 19.304 19.000 0.032 0.000 1.158 272 A HN 0.680 nan 8.150 nan 0.000 0.514 273 L N 2.743 123.978 121.223 0.021 0.000 2.281 273 L HA 0.319 4.659 4.340 -0.000 0.000 0.285 273 L C -0.318 176.563 176.870 0.018 0.000 1.074 273 L CA -0.356 54.493 54.840 0.016 0.000 0.817 273 L CB 0.597 42.665 42.059 0.015 0.000 1.168 273 L HN 0.704 nan 8.230 nan 0.000 0.434 274 C N 1.341 120.650 119.300 0.015 0.000 2.630 274 C HA 0.636 5.096 4.460 -0.000 0.000 0.346 274 C C 1.499 176.496 174.990 0.012 0.000 1.245 274 C CA -0.512 58.514 59.018 0.014 0.000 1.804 274 C CB 1.475 29.222 27.740 0.013 0.000 2.279 274 C HN 0.941 nan 8.230 nan 0.000 0.498 275 A N 0.270 123.096 122.820 0.011 0.000 1.935 275 A HA 0.176 4.496 4.320 -0.000 0.000 0.214 275 A C 0.332 177.920 177.584 0.008 0.000 1.178 275 A CA 1.340 53.382 52.037 0.009 0.000 0.640 275 A CB -0.406 18.599 19.000 0.009 0.000 0.825 275 A HN 0.994 nan 8.150 nan 0.000 0.447 276 D N -4.007 116.397 120.400 0.007 0.000 2.523 276 D HA 0.618 5.258 4.640 -0.000 0.000 0.236 276 D C 0.538 176.841 176.300 0.006 0.000 1.094 276 D CA -0.137 53.866 54.000 0.006 0.000 0.942 276 D CB 1.414 42.217 40.800 0.005 0.000 1.447 276 D HN 0.009 nan 8.370 nan 0.000 0.479 277 A N 0.690 123.514 122.820 0.005 0.000 1.940 277 A HA 0.004 4.324 4.320 -0.000 0.000 0.219 277 A C 2.139 179.726 177.584 0.005 0.000 1.176 277 A CA 2.174 54.214 52.037 0.005 0.000 0.631 277 A CB -1.320 17.683 19.000 0.005 0.000 0.814 277 A HN 0.697 nan 8.150 nan 0.000 0.446 278 A N -0.724 122.098 122.820 0.003 0.000 1.851 278 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 278 A C 2.318 179.903 177.584 0.001 0.000 1.195 278 A CA 2.475 54.513 52.037 0.001 0.000 0.622 278 A CB -1.525 17.475 19.000 -0.000 0.000 0.831 278 A HN 0.444 nan 8.150 nan 0.000 0.444 279 T N -0.434 114.122 114.554 0.003 0.000 2.803 279 T HA -0.174 4.176 4.350 -0.000 0.000 0.269 279 T C 2.066 176.770 174.700 0.006 0.000 1.052 279 T CA 1.346 63.448 62.100 0.004 0.000 1.136 279 T CB -0.298 68.573 68.868 0.006 0.000 0.864 279 T HN 0.425 nan 8.240 nan 0.000 0.467 280 R N 1.198 121.702 120.500 0.008 0.000 2.073 280 R HA -0.115 4.224 4.340 -0.000 0.000 0.234 280 R C 2.061 178.367 176.300 0.011 0.000 1.134 280 R CA 1.463 57.569 56.100 0.011 0.000 0.952 280 R CB -0.296 30.010 30.300 0.010 0.000 0.850 280 R HN 0.349 nan 8.270 nan 0.000 0.433 281 E N 0.903 121.108 120.200 0.008 0.000 2.153 281 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 281 E C 2.168 178.770 176.600 0.003 0.000 0.988 281 E CA 0.588 56.992 56.400 0.007 0.000 0.811 281 E CB -0.282 29.420 29.700 0.004 0.000 0.746 281 E HN 0.377 nan 8.360 nan 0.000 0.466 282 L N 0.418 121.640 121.223 -0.001 0.000 1.976 282 L HA -0.187 4.153 4.340 -0.000 0.000 0.209 282 L C 2.497 179.366 176.870 -0.002 0.000 1.071 282 L CA 1.357 56.192 54.840 -0.009 0.000 0.746 282 L CB -0.525 41.528 42.059 -0.010 0.000 0.890 282 L HN 0.091 nan 8.230 nan 0.000 0.432 283 A N -0.726 122.099 122.820 0.008 0.000 1.883 283 A HA -0.320 4.000 4.320 -0.000 0.000 0.217 283 A C 2.121 179.721 177.584 0.028 0.000 1.186 283 A CA 2.052 54.100 52.037 0.019 0.000 0.624 283 A CB -0.663 18.350 19.000 0.022 0.000 0.822 283 A HN 0.453 nan 8.150 nan 0.000 0.444 284 Q N -0.133 119.683 119.800 0.026 0.000 2.096 284 Q HA -0.065 4.275 4.340 -0.000 0.000 0.204 284 Q C 1.939 177.961 176.000 0.037 0.000 0.982 284 Q CA 2.209 58.032 55.803 0.033 0.000 0.850 284 Q CB -1.003 27.752 28.738 0.029 0.000 0.901 284 Q HN 0.530 nan 8.270 nan 0.000 0.422 285 G N -0.328 108.486 108.800 0.025 0.000 2.404 285 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.215 285 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.215 285 G C 1.475 176.403 174.900 0.047 0.000 1.174 285 G CA 0.930 46.044 45.100 0.024 0.000 0.780 285 G HN 0.521 nan 8.290 nan 0.000 0.537 286 A N 0.625 123.464 122.820 0.032 0.000 1.902 286 A HA 0.011 4.331 4.320 -0.000 0.000 0.217 286 A C 2.472 180.141 177.584 0.141 0.000 1.181 286 A CA 1.885 53.961 52.037 0.065 0.000 0.623 286 A CB -0.368 18.650 19.000 0.029 0.000 0.818 286 A HN 0.389 nan 8.150 nan 0.000 0.443 287 M N -0.508 119.145 119.600 0.088 0.000 2.086 287 M HA -0.132 4.348 4.480 -0.000 0.000 0.261 287 M C 2.527 178.863 176.300 0.059 0.000 1.067 287 M CA 1.527 56.871 55.300 0.073 0.000 1.116 287 M CB -0.416 32.221 32.600 0.061 0.000 1.348 287 M HN 0.451 nan 8.290 nan 0.000 0.407 288 A N -0.087 122.770 122.820 0.062 0.000 1.933 288 A HA -0.199 4.120 4.320 -0.000 0.000 0.218 288 A C 2.024 179.614 177.584 0.010 0.000 1.175 288 A CA 1.451 53.504 52.037 0.027 0.000 0.628 288 A CB -1.013 18.008 19.000 0.034 0.000 0.814 288 A HN 0.563 nan 8.150 nan 0.000 0.444 289 F N 0.229 120.130 119.950 -0.081 0.000 2.146 289 F HA -0.112 4.415 4.527 -0.000 0.000 0.298 289 F C 1.791 177.518 175.800 -0.121 0.000 1.096 289 F CA 1.185 59.128 58.000 -0.096 0.000 1.275 289 F CB -0.126 38.833 39.000 -0.067 0.000 1.008 289 F HN 0.105 nan 8.300 nan 0.000 0.480 290 L N 0.837 122.011 121.223 -0.081 0.000 2.042 290 L HA -0.254 4.086 4.340 -0.000 0.000 0.210 290 L C 2.149 178.796 176.870 -0.371 0.000 1.076 290 L CA 1.625 56.340 54.840 -0.210 0.000 0.749 290 L CB -1.876 40.157 42.059 -0.044 0.000 0.893 290 L HN 0.221 nan 8.230 nan 0.000 0.432 291 N N -0.388 118.115 118.700 -0.329 0.000 2.142 291 N HA -0.164 4.576 4.740 -0.000 0.000 0.186 291 N C 1.972 177.132 175.510 -0.584 0.000 1.023 291 N CA 0.927 53.672 53.050 -0.508 0.000 0.852 291 N CB -0.178 38.184 38.487 -0.209 0.000 0.998 291 N HN 0.212 nan 8.380 nan 0.000 0.424 292 R N 0.509 120.743 120.500 -0.443 0.000 2.091 292 R HA -0.061 4.279 4.340 -0.000 0.000 0.238 292 R C 1.131 177.165 176.300 -0.443 0.000 1.136 292 R CA 1.247 57.090 56.100 -0.428 0.000 0.959 292 R CB 0.078 30.166 30.300 -0.353 0.000 0.856 292 R HN 0.218 nan 8.270 nan 0.000 0.437 293 Q N -0.813 118.646 119.800 -0.567 0.000 2.482 293 Q HA 0.005 4.345 4.340 -0.000 0.000 0.209 293 Q C 1.032 176.811 176.000 -0.368 0.000 0.961 293 Q CA 0.989 56.493 55.803 -0.498 0.000 0.945 293 Q CB 0.850 29.168 28.738 -0.701 0.000 1.012 293 Q HN 0.369 nan 8.270 nan 0.000 0.515 294 T N -0.891 113.389 114.554 -0.458 0.000 3.026 294 T HA 0.048 4.398 4.350 -0.000 0.000 0.245 294 T C 0.236 174.783 174.700 -0.254 0.000 1.004 294 T CA 0.526 62.388 62.100 -0.397 0.000 1.069 294 T CB 0.255 68.797 68.868 -0.545 0.000 1.005 294 T HN 0.415 nan 8.240 nan 0.000 0.472 295 Y N -1.320 118.933 120.300 -0.079 0.000 3.159 295 Y HA 0.629 5.179 4.550 -0.000 0.000 0.294 295 Y C 0.661 176.533 175.900 -0.046 0.000 1.027 295 Y CA -0.714 57.362 58.100 -0.039 0.000 1.298 295 Y CB -0.554 37.904 38.460 -0.003 0.000 1.336 295 Y HN -0.020 nan 8.280 nan 0.000 0.597 296 S N 0.068 115.724 115.700 -0.074 0.000 4.158 296 S HA -0.280 4.189 4.470 -0.000 0.000 0.553 296 S C -0.208 174.250 174.600 -0.236 0.000 1.866 296 S CA 1.849 59.922 58.200 -0.212 0.000 4.249 296 S CB -1.374 61.779 63.200 -0.078 0.000 0.211 296 S HN 0.434 nan 8.310 nan 0.000 0.455 297 F N 4.685 124.738 119.950 0.173 0.000 2.425 297 F HA 0.562 5.089 4.527 -0.000 0.000 0.331 297 F C -1.924 174.014 175.800 0.229 0.000 1.085 297 F CA -1.799 56.313 58.000 0.186 0.000 1.028 297 F CB 0.830 39.920 39.000 0.149 0.000 1.177 297 F HN 0.153 nan 8.300 nan 0.000 0.487 298 P HA 0.184 nan 4.420 nan 0.000 0.277 298 P C -2.666 174.683 177.300 0.082 0.000 1.240 298 P CA -1.531 61.652 63.100 0.139 0.000 0.798 298 P CB 0.331 32.124 31.700 0.155 0.000 0.979 299 P HA 0.007 nan 4.420 nan 0.000 0.267 299 P C 0.252 177.561 177.300 0.015 0.000 1.205 299 P CA 0.044 63.142 63.100 -0.003 0.000 0.765 299 P CB 0.522 32.181 31.700 -0.068 0.000 0.828 300 F N 3.311 123.216 119.950 -0.075 0.000 2.179 300 F HA -0.080 4.447 4.527 -0.000 0.000 0.292 300 F C 2.579 178.308 175.800 -0.117 0.000 1.089 300 F CA 1.167 59.104 58.000 -0.104 0.000 1.295 300 F CB -0.632 38.327 39.000 -0.068 0.000 1.041 300 F HN 0.379 nan 8.300 nan 0.000 0.487 301 H N -0.043 118.966 119.070 -0.102 0.000 2.267 301 H HA -0.176 4.380 4.556 -0.000 0.000 0.291 301 H C 2.447 177.567 175.328 -0.347 0.000 1.094 301 H CA 2.397 58.318 56.048 -0.211 0.000 1.227 301 H CB -0.941 28.785 29.762 -0.060 0.000 1.351 301 H HN 0.375 nan 8.280 nan 0.000 0.483 302 G N -0.581 108.061 108.800 -0.263 0.000 2.421 302 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 302 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 302 G C 1.915 176.513 174.900 -0.505 0.000 1.171 302 G CA 1.018 45.919 45.100 -0.332 0.000 0.775 302 G HN 0.633 nan 8.290 nan 0.000 0.543 303 A N 0.631 123.061 122.820 -0.650 0.000 1.978 303 A HA -0.049 4.271 4.320 -0.000 0.000 0.220 303 A C 2.211 179.393 177.584 -0.669 0.000 1.170 303 A CA 2.401 53.874 52.037 -0.940 0.000 0.636 303 A CB -0.341 17.856 19.000 -1.338 0.000 0.810 303 A HN 0.361 nan 8.150 nan 0.000 0.448 304 K N 0.228 120.140 120.400 -0.813 0.000 2.097 304 K HA 0.050 4.370 4.320 -0.000 0.000 0.205 304 K C 1.566 177.874 176.600 -0.487 0.000 1.050 304 K CA 1.353 57.197 56.287 -0.737 0.000 0.938 304 K CB -0.515 31.323 32.500 -1.103 0.000 0.718 304 K HN 0.508 nan 8.250 nan 0.000 0.442 305 I N -0.167 120.089 120.570 -0.523 0.000 2.226 305 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 305 I C 1.983 177.857 176.117 -0.405 0.000 1.100 305 I CA 0.900 61.956 61.300 -0.408 0.000 1.374 305 I CB -0.215 37.554 38.000 -0.385 0.000 1.057 305 I HN -0.071 nan 8.210 nan 0.000 0.413 306 V N 0.951 120.546 119.914 -0.532 0.000 2.261 306 V HA -0.298 3.822 4.120 -0.000 0.000 0.246 306 V C 2.672 178.532 176.094 -0.390 0.000 1.047 306 V CA 2.374 64.230 62.300 -0.741 0.000 1.015 306 V CB -0.888 30.496 31.823 -0.732 0.000 0.642 306 V HN 0.616 nan 8.190 nan 0.000 0.446 307 S N -0.684 114.901 115.700 -0.192 0.000 2.382 307 S HA -0.225 4.245 4.470 -0.000 0.000 0.228 307 S C 1.918 176.452 174.600 -0.111 0.000 1.027 307 S CA 1.924 60.060 58.200 -0.106 0.000 0.991 307 S CB -0.838 62.349 63.200 -0.023 0.000 0.823 307 S HN 0.580 nan 8.310 nan 0.000 0.469 308 T N 2.365 116.834 114.554 -0.142 0.000 2.708 308 T HA -0.029 4.321 4.350 -0.000 0.000 0.266 308 T C 1.918 176.576 174.700 -0.071 0.000 1.037 308 T CA 1.523 63.563 62.100 -0.099 0.000 1.146 308 T CB -0.625 68.172 68.868 -0.117 0.000 0.865 308 T HN 0.299 nan 8.240 nan 0.000 0.435 309 V N 1.297 121.153 119.914 -0.097 0.000 2.295 309 V HA -0.101 4.019 4.120 -0.000 0.000 0.246 309 V C 2.442 178.531 176.094 -0.008 0.000 1.049 309 V CA 1.278 63.555 62.300 -0.038 0.000 1.024 309 V CB -0.605 31.192 31.823 -0.042 0.000 0.648 309 V HN 0.307 nan 8.190 nan 0.000 0.447 310 L N 0.824 122.018 121.223 -0.048 0.000 2.201 310 L HA -0.094 4.246 4.340 -0.000 0.000 0.212 310 L C 2.446 179.320 176.870 0.007 0.000 1.105 310 L CA 2.498 57.334 54.840 -0.008 0.000 0.775 310 L CB -1.180 40.852 42.059 -0.045 0.000 0.913 310 L HN 0.660 nan 8.230 nan 0.000 0.440 311 T N -6.377 108.171 114.554 -0.010 0.000 3.069 311 T HA 0.107 4.457 4.350 -0.000 0.000 0.252 311 T C 0.656 175.362 174.700 0.009 0.000 1.053 311 T CA -0.056 62.043 62.100 -0.001 0.000 0.964 311 T CB -0.280 68.583 68.868 -0.010 0.000 1.005 311 T HN 0.095 nan 8.240 nan 0.000 0.532 312 T N 3.773 118.336 114.554 0.015 0.000 2.874 312 T HA 0.361 4.711 4.350 -0.000 0.000 0.321 312 T C -2.006 172.716 174.700 0.038 0.000 1.075 312 T CA -1.255 60.858 62.100 0.022 0.000 0.966 312 T CB 1.629 70.507 68.868 0.018 0.000 1.001 312 T HN -0.098 nan 8.240 nan 0.000 0.476 313 P HA -0.256 nan 4.420 nan 0.000 0.219 313 P C 1.523 178.851 177.300 0.047 0.000 1.161 313 P CA 1.200 64.324 63.100 0.040 0.000 0.909 313 P CB 0.342 32.059 31.700 0.028 0.000 0.793 314 E N -1.121 119.103 120.200 0.041 0.000 2.085 314 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 314 E C 1.793 178.430 176.600 0.061 0.000 0.994 314 E CA 1.071 57.497 56.400 0.043 0.000 0.801 314 E CB -0.439 29.282 29.700 0.035 0.000 0.743 314 E HN 0.002 nan 8.360 nan 0.000 0.453 315 L N 1.088 122.352 121.223 0.068 0.000 2.072 315 L HA -0.075 4.265 4.340 -0.000 0.000 0.205 315 L C 2.563 179.524 176.870 0.151 0.000 1.079 315 L CA 1.523 56.419 54.840 0.093 0.000 0.752 315 L CB -0.800 41.300 42.059 0.067 0.000 0.906 315 L HN 0.105 nan 8.230 nan 0.000 0.436 316 R N -0.541 120.048 120.500 0.148 0.000 2.081 316 R HA -0.175 4.165 4.340 -0.000 0.000 0.235 316 R C 2.140 178.574 176.300 0.223 0.000 1.131 316 R CA 1.405 57.649 56.100 0.239 0.000 0.960 316 R CB -0.151 30.259 30.300 0.184 0.000 0.856 316 R HN 0.351 nan 8.270 nan 0.000 0.436 317 A N 0.946 123.838 122.820 0.119 0.000 1.877 317 A HA -0.228 4.092 4.320 -0.000 0.000 0.216 317 A C 1.838 179.450 177.584 0.046 0.000 1.186 317 A CA 1.975 54.048 52.037 0.060 0.000 0.620 317 A CB -0.745 18.277 19.000 0.036 0.000 0.822 317 A HN 0.496 nan 8.150 nan 0.000 0.443 318 D N -1.979 118.467 120.400 0.077 0.000 2.178 318 D HA -0.170 4.470 4.640 -0.000 0.000 0.202 318 D C 1.582 177.931 176.300 0.081 0.000 0.974 318 D CA 1.316 55.354 54.000 0.062 0.000 0.841 318 D CB -0.277 40.568 40.800 0.076 0.000 0.953 318 D HN 0.617 nan 8.370 nan 0.000 0.478 319 W N 0.750 122.020 121.300 -0.050 0.000 2.379 319 W HA -0.062 4.598 4.660 -0.000 0.000 0.307 319 W C 2.154 178.580 176.519 -0.155 0.000 1.200 319 W CA 1.360 58.645 57.345 -0.099 0.000 1.297 319 W CB -0.513 28.887 29.460 -0.100 0.000 1.140 319 W HN -0.088 nan 8.180 nan 0.000 0.507 320 M N 0.588 119.980 119.600 -0.346 0.000 2.108 320 M HA -0.218 4.262 4.480 -0.000 0.000 0.261 320 M C 2.336 178.371 176.300 -0.441 0.000 1.066 320 M CA 2.251 57.206 55.300 -0.574 0.000 1.107 320 M CB -1.081 31.355 32.600 -0.273 0.000 1.356 320 M HN 0.162 nan 8.290 nan 0.000 0.406 321 A N 0.050 122.719 122.820 -0.252 0.000 1.877 321 A HA -0.230 4.090 4.320 -0.000 0.000 0.216 321 A C 1.970 179.420 177.584 -0.223 0.000 1.186 321 A CA 2.086 54.006 52.037 -0.194 0.000 0.620 321 A CB -0.833 18.103 19.000 -0.107 0.000 0.822 321 A HN 0.574 nan 8.150 nan 0.000 0.443 322 E N -0.704 119.368 120.200 -0.213 0.000 2.051 322 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 322 E C 1.879 178.285 176.600 -0.324 0.000 0.991 322 E CA 1.337 57.621 56.400 -0.193 0.000 0.799 322 E CB -0.224 29.422 29.700 -0.091 0.000 0.748 322 E HN 0.402 nan 8.360 nan 0.000 0.449 323 L N 1.412 122.322 121.223 -0.521 0.000 2.083 323 L HA -0.166 4.174 4.340 -0.000 0.000 0.209 323 L C 2.192 178.722 176.870 -0.566 0.000 1.083 323 L CA 2.155 56.594 54.840 -0.669 0.000 0.752 323 L CB -0.523 40.935 42.059 -1.002 0.000 0.899 323 L HN 0.186 nan 8.230 nan 0.000 0.433 324 E N -0.199 119.728 120.200 -0.455 0.000 2.051 324 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 324 E C 2.127 178.568 176.600 -0.264 0.000 0.991 324 E CA 1.559 57.758 56.400 -0.335 0.000 0.799 324 E CB -0.382 29.159 29.700 -0.265 0.000 0.748 324 E HN 0.498 nan 8.360 nan 0.000 0.449 325 A N 0.238 122.919 122.820 -0.231 0.000 1.908 325 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 325 A C 2.518 179.993 177.584 -0.182 0.000 1.181 325 A CA 1.788 53.727 52.037 -0.164 0.000 0.627 325 A CB -0.927 18.000 19.000 -0.121 0.000 0.818 325 A HN 0.211 nan 8.150 nan 0.000 0.445 326 V N 1.239 120.980 119.914 -0.289 0.000 2.233 326 V HA -0.323 3.797 4.120 -0.000 0.000 0.247 326 V C 2.785 178.698 176.094 -0.300 0.000 1.050 326 V CA 2.469 64.534 62.300 -0.391 0.000 1.010 326 V CB -0.942 30.448 31.823 -0.722 0.000 0.637 326 V HN 0.832 nan 8.190 nan 0.000 0.444 327 R N 0.286 120.567 120.500 -0.364 0.000 2.127 327 R HA -0.158 4.182 4.340 -0.000 0.000 0.238 327 R C 2.151 178.370 176.300 -0.135 0.000 1.134 327 R CA 2.159 58.109 56.100 -0.250 0.000 0.975 327 R CB -0.616 29.491 30.300 -0.321 0.000 0.865 327 R HN 0.474 nan 8.270 nan 0.000 0.447 328 S N 0.446 116.063 115.700 -0.138 0.000 2.371 328 S HA -0.011 4.459 4.470 -0.000 0.000 0.224 328 S C 1.964 176.534 174.600 -0.050 0.000 1.029 328 S CA 1.055 59.203 58.200 -0.087 0.000 0.978 328 S CB -0.304 62.842 63.200 -0.091 0.000 0.833 328 S HN 0.691 nan 8.310 nan 0.000 0.466 329 G N 1.585 110.359 108.800 -0.043 0.000 2.421 329 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.216 329 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.216 329 G C 1.400 176.313 174.900 0.021 0.000 1.171 329 G CA 0.810 45.911 45.100 0.001 0.000 0.775 329 G HN 0.389 nan 8.290 nan 0.000 0.543 330 M N -0.268 119.350 119.600 0.030 0.000 2.117 330 M HA 0.057 4.537 4.480 -0.000 0.000 0.262 330 M C 2.525 178.836 176.300 0.019 0.000 1.065 330 M CA 0.992 56.320 55.300 0.047 0.000 1.114 330 M CB -0.347 32.294 32.600 0.069 0.000 1.361 330 M HN 0.209 nan 8.290 nan 0.000 0.408 331 L N -0.110 121.114 121.223 0.002 0.000 2.079 331 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 331 L C 2.673 179.539 176.870 -0.005 0.000 1.081 331 L CA 1.507 56.346 54.840 -0.002 0.000 0.752 331 L CB -0.243 41.809 42.059 -0.013 0.000 0.896 331 L HN 0.219 nan 8.230 nan 0.000 0.433 332 R N -0.671 119.825 120.500 -0.007 0.000 2.096 332 R HA -0.134 4.206 4.340 -0.000 0.000 0.235 332 R C 2.198 178.493 176.300 -0.008 0.000 1.127 332 R CA 1.314 57.408 56.100 -0.009 0.000 0.968 332 R CB -0.282 30.013 30.300 -0.008 0.000 0.861 332 R HN 0.406 nan 8.270 nan 0.000 0.440 333 L N -0.020 121.202 121.223 -0.001 0.000 2.093 333 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 333 L C 2.485 179.345 176.870 -0.016 0.000 1.085 333 L CA 1.306 56.144 54.840 -0.005 0.000 0.755 333 L CB -0.361 41.703 42.059 0.009 0.000 0.904 333 L HN 0.151 nan 8.230 nan 0.000 0.435 334 R N 0.235 120.729 120.500 -0.011 0.000 2.081 334 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 334 R C 2.107 178.383 176.300 -0.039 0.000 1.131 334 R CA 1.419 57.507 56.100 -0.021 0.000 0.960 334 R CB -0.374 29.924 30.300 -0.002 0.000 0.856 334 R HN 0.469 nan 8.270 nan 0.000 0.436 335 E N 0.817 120.999 120.200 -0.030 0.000 2.106 335 E HA -0.231 4.119 4.350 -0.000 0.000 0.192 335 E C 2.124 178.701 176.600 -0.038 0.000 0.984 335 E CA 0.882 57.262 56.400 -0.034 0.000 0.806 335 E CB -0.022 29.664 29.700 -0.024 0.000 0.750 335 E HN 0.368 nan 8.360 nan 0.000 0.458 336 Q N 0.780 120.559 119.800 -0.034 0.000 2.020 336 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 336 Q C 2.338 178.307 176.000 -0.051 0.000 0.982 336 Q CA 0.974 56.755 55.803 -0.036 0.000 0.838 336 Q CB -0.043 28.678 28.738 -0.028 0.000 0.899 336 Q HN 0.267 nan 8.270 nan 0.000 0.423 337 L N 0.445 121.631 121.223 -0.061 0.000 2.017 337 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 337 L C 2.235 179.038 176.870 -0.112 0.000 1.073 337 L CA 2.140 56.926 54.840 -0.090 0.000 0.745 337 L CB -1.292 40.712 42.059 -0.092 0.000 0.894 337 L HN 0.374 nan 8.230 nan 0.000 0.432 338 A N 0.092 122.851 122.820 -0.101 0.000 1.892 338 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 338 A C 2.384 179.928 177.584 -0.067 0.000 1.188 338 A CA 1.903 53.879 52.037 -0.101 0.000 0.631 338 A CB -1.447 17.497 19.000 -0.093 0.000 0.822 338 A HN 0.532 nan 8.150 nan 0.000 0.447 339 G N -0.660 108.107 108.800 -0.054 0.000 2.446 339 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.217 339 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.217 339 G C 1.442 176.316 174.900 -0.043 0.000 1.168 339 G CA 1.426 46.503 45.100 -0.038 0.000 0.771 339 G HN 0.582 nan 8.290 nan 0.000 0.551 340 E N 0.374 120.538 120.200 -0.060 0.000 2.049 340 E HA -0.106 4.244 4.350 -0.000 0.000 0.198 340 E C 2.540 179.094 176.600 -0.078 0.000 1.007 340 E CA 0.996 57.355 56.400 -0.067 0.000 0.809 340 E CB -0.467 29.183 29.700 -0.083 0.000 0.749 340 E HN 0.442 nan 8.360 nan 0.000 0.450 341 L N 0.072 121.226 121.223 -0.115 0.000 2.046 341 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 341 L C 2.853 179.717 176.870 -0.010 0.000 1.077 341 L CA 1.569 56.329 54.840 -0.134 0.000 0.747 341 L CB -0.466 41.418 42.059 -0.290 0.000 0.896 341 L HN 0.170 nan 8.230 nan 0.000 0.432 342 R N 0.312 120.818 120.500 0.009 0.000 2.083 342 R HA -0.206 4.134 4.340 -0.000 0.000 0.237 342 R C 1.728 178.041 176.300 0.022 0.000 1.137 342 R CA 2.160 58.281 56.100 0.035 0.000 0.951 342 R CB -0.256 30.054 30.300 0.015 0.000 0.851 342 R HN 0.360 nan 8.270 nan 0.000 0.434 343 D N 0.423 120.824 120.400 0.000 0.000 2.264 343 D HA -0.103 4.537 4.640 -0.000 0.000 0.208 343 D C 1.555 177.856 176.300 0.001 0.000 0.966 343 D CA 0.766 54.766 54.000 -0.001 0.000 0.864 343 D CB 0.062 40.856 40.800 -0.010 0.000 0.933 343 D HN 0.325 nan 8.370 nan 0.000 0.499 344 L N 0.321 121.541 121.223 -0.005 0.000 2.612 344 L HA 0.045 4.385 4.340 -0.000 0.000 0.230 344 L C 1.194 178.078 176.870 0.024 0.000 1.140 344 L CA 0.280 55.117 54.840 -0.005 0.000 0.896 344 L CB 0.095 42.131 42.059 -0.038 0.000 1.065 344 L HN 0.013 nan 8.230 nan 0.000 0.447 345 S N -3.952 111.774 115.700 0.044 0.000 2.551 345 S HA 0.164 4.634 4.470 -0.000 0.000 0.276 345 S C 1.329 175.961 174.600 0.052 0.000 1.051 345 S CA 0.351 58.591 58.200 0.067 0.000 1.377 345 S CB 0.817 64.094 63.200 0.128 0.000 1.208 345 S HN 0.277 nan 8.310 nan 0.000 0.656 346 G N 1.981 110.805 108.800 0.040 0.000 2.175 346 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.265 346 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.265 346 G C 0.087 175.006 174.900 0.032 0.000 0.979 346 G CA 0.599 45.717 45.100 0.029 0.000 0.663 346 G HN 1.754 nan 8.290 nan 0.000 0.533 347 S N -1.091 114.638 115.700 0.049 0.000 2.532 347 S HA 0.568 5.038 4.470 -0.000 0.000 0.299 347 S C -0.561 174.074 174.600 0.058 0.000 1.105 347 S CA -0.240 57.985 58.200 0.042 0.000 1.018 347 S CB 2.333 65.554 63.200 0.035 0.000 1.021 347 S HN 0.061 nan 8.310 nan 0.000 0.483 348 D N 1.322 121.743 120.400 0.035 0.000 2.870 348 D HA 0.215 4.855 4.640 -0.000 0.000 0.241 348 D C 1.384 177.699 176.300 0.025 0.000 1.234 348 D CA -0.224 53.798 54.000 0.038 0.000 0.844 348 D CB 0.022 40.833 40.800 0.019 0.000 1.051 348 D HN 0.528 nan 8.370 nan 0.000 0.469 349 R N -0.435 120.062 120.500 -0.006 0.000 2.092 349 R HA -0.063 4.277 4.340 -0.000 0.000 0.231 349 R C 0.858 177.112 176.300 -0.077 0.000 1.119 349 R CA 0.782 56.822 56.100 -0.099 0.000 0.970 349 R CB -0.112 30.027 30.300 -0.269 0.000 0.864 349 R HN 0.285 nan 8.270 nan 0.000 0.440 350 F N 0.357 120.323 119.950 0.027 0.000 2.725 350 F HA 0.155 4.682 4.527 -0.000 0.000 0.303 350 F C 2.014 177.532 175.800 -0.470 0.000 1.167 350 F CA 0.050 57.895 58.000 -0.258 0.000 1.403 350 F CB -0.135 38.729 39.000 -0.225 0.000 1.077 350 F HN 0.086 nan 8.300 nan 0.000 0.537 351 G N 0.564 109.316 108.800 -0.081 0.000 2.448 351 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.219 351 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.219 351 G C 1.605 176.411 174.900 -0.158 0.000 1.127 351 G CA 0.805 45.851 45.100 -0.090 0.000 0.766 351 G HN 0.507 nan 8.290 nan 0.000 0.552 352 F N 1.080 120.977 119.950 -0.089 0.000 2.236 352 F HA -0.081 4.446 4.527 -0.000 0.000 0.302 352 F C 2.207 177.784 175.800 -0.371 0.000 1.073 352 F CA 0.700 58.563 58.000 -0.228 0.000 1.336 352 F CB -0.977 37.874 39.000 -0.247 0.000 1.040 352 F HN 0.001 nan 8.300 nan 0.000 0.507 353 V N 1.395 120.831 119.914 -0.798 0.000 2.287 353 V HA -0.323 3.797 4.120 -0.000 0.000 0.248 353 V C 2.917 178.909 176.094 -0.170 0.000 1.053 353 V CA 2.070 64.101 62.300 -0.448 0.000 1.027 353 V CB -1.501 30.073 31.823 -0.414 0.000 0.646 353 V HN 0.591 nan 8.190 nan 0.000 0.447 354 A N -0.834 121.898 122.820 -0.147 0.000 2.066 354 A HA -0.144 4.176 4.320 -0.000 0.000 0.218 354 A C 2.130 179.709 177.584 -0.009 0.000 1.157 354 A CA 1.345 53.348 52.037 -0.056 0.000 0.670 354 A CB -0.333 18.635 19.000 -0.053 0.000 0.804 354 A HN 0.653 nan 8.150 nan 0.000 0.453 355 E N -0.692 119.497 120.200 -0.019 0.000 2.170 355 E HA -0.021 4.329 4.350 -0.000 0.000 0.191 355 E C 0.028 176.723 176.600 0.158 0.000 0.981 355 E CA -0.047 56.383 56.400 0.049 0.000 0.830 355 E CB -0.141 29.586 29.700 0.045 0.000 0.775 355 E HN 0.786 nan 8.360 nan 0.000 0.470 356 H N 0.430 119.582 119.070 0.136 0.000 2.852 356 H HA 0.183 4.739 4.556 -0.000 0.000 0.362 356 H C 0.077 175.468 175.328 0.105 0.000 1.122 356 H CA -0.259 55.881 56.048 0.155 0.000 1.419 356 H CB 0.609 30.493 29.762 0.202 0.000 1.401 356 H HN -0.172 nan 8.280 nan 0.000 0.609 357 R N 0.804 121.443 120.500 0.232 0.000 2.561 357 R HA 0.470 4.810 4.340 -0.000 0.000 0.297 357 R C -0.500 175.854 176.300 0.090 0.000 0.969 357 R CA 0.414 56.597 56.100 0.139 0.000 0.879 357 R CB 1.588 31.967 30.300 0.132 0.000 1.178 357 R HN 0.956 nan 8.270 nan 0.000 0.445 358 G N 2.186 111.006 108.800 0.034 0.000 2.265 358 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.246 358 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.246 358 G C -0.228 174.547 174.900 -0.209 0.000 1.299 358 G CA -0.090 44.960 45.100 -0.084 0.000 1.117 358 G HN 0.575 nan 8.290 nan 0.000 0.485 359 M N -0.468 118.788 119.600 -0.572 0.000 2.492 359 M HA 0.528 5.008 4.480 -0.000 0.000 0.255 359 M C -0.179 175.619 176.300 -0.836 0.000 1.139 359 M CA 0.553 55.384 55.300 -0.782 0.000 1.096 359 M CB 0.196 32.047 32.600 -1.248 0.000 1.360 359 M HN 0.303 nan 8.290 nan 0.000 0.480 360 F N -1.531 118.348 119.950 -0.118 0.000 2.613 360 F HA 0.681 5.208 4.527 -0.000 0.000 0.342 360 F C -0.050 175.762 175.800 0.020 0.000 1.066 360 F CA -1.198 56.774 58.000 -0.047 0.000 1.002 360 F CB 1.593 40.547 39.000 -0.076 0.000 1.319 360 F HN -0.366 nan 8.300 nan 0.000 0.495 361 S N 0.398 116.272 115.700 0.290 0.000 2.584 361 S HA 0.361 4.831 4.470 -0.000 0.000 0.280 361 S C -1.281 173.485 174.600 0.276 0.000 1.162 361 S CA -0.842 57.554 58.200 0.328 0.000 0.951 361 S CB 1.189 64.640 63.200 0.418 0.000 1.108 361 S HN 0.431 nan 8.310 nan 0.000 0.464 362 R N 3.717 124.344 120.500 0.212 0.000 2.210 362 R HA 0.296 4.636 4.340 -0.000 0.000 0.338 362 R C 0.942 177.453 176.300 0.353 0.000 1.062 362 R CA -0.328 55.847 56.100 0.126 0.000 0.902 362 R CB 0.405 30.577 30.300 -0.213 0.000 1.050 362 R HN 0.645 nan 8.270 nan 0.000 0.461 363 L N 1.221 122.644 121.223 0.334 0.000 2.201 363 L HA -0.059 4.281 4.340 -0.000 0.000 0.212 363 L C 1.451 178.545 176.870 0.374 0.000 1.105 363 L CA 1.395 56.510 54.840 0.458 0.000 0.775 363 L CB -0.215 42.042 42.059 0.330 0.000 0.913 363 L HN 1.007 nan 8.230 nan 0.000 0.440 364 G N -0.431 108.507 108.800 0.229 0.000 2.175 364 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.244 364 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.244 364 G C 0.402 175.385 174.900 0.138 0.000 0.982 364 G CA 0.011 45.208 45.100 0.160 0.000 0.641 364 G HN 0.546 nan 8.290 nan 0.000 0.527 365 A N 0.717 123.631 122.820 0.156 0.000 2.445 365 A HA 0.662 4.982 4.320 -0.000 0.000 0.242 365 A C 1.140 178.778 177.584 0.090 0.000 1.075 365 A CA 1.137 53.250 52.037 0.127 0.000 0.777 365 A CB 0.126 19.201 19.000 0.125 0.000 1.013 365 A HN 1.814 nan 8.150 nan 0.000 0.493 366 T N 0.626 115.225 114.554 0.075 0.000 2.860 366 T HA 0.347 4.697 4.350 -0.000 0.000 0.299 366 T C -1.375 173.356 174.700 0.051 0.000 1.045 366 T CA -0.882 61.253 62.100 0.058 0.000 1.071 366 T CB 0.684 69.581 68.868 0.049 0.000 0.985 366 T HN 0.498 nan 8.240 nan 0.000 0.537 367 P HA -0.258 nan 4.420 nan 0.000 0.216 367 P C 1.343 178.663 177.300 0.033 0.000 1.154 367 P CA 1.826 64.947 63.100 0.034 0.000 0.865 367 P CB 0.042 31.758 31.700 0.028 0.000 0.789 368 E N 0.484 120.704 120.200 0.034 0.000 2.077 368 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 368 E C 2.183 178.807 176.600 0.041 0.000 0.989 368 E CA 0.868 57.288 56.400 0.033 0.000 0.800 368 E CB -0.873 28.846 29.700 0.032 0.000 0.746 368 E HN 0.329 nan 8.360 nan 0.000 0.452 369 Q N 0.916 120.747 119.800 0.052 0.000 2.046 369 Q HA -0.095 4.245 4.340 -0.000 0.000 0.200 369 Q C 2.557 178.595 176.000 0.063 0.000 0.975 369 Q CA 1.609 57.452 55.803 0.067 0.000 0.836 369 Q CB -0.094 28.690 28.738 0.076 0.000 0.896 369 Q HN 0.182 nan 8.270 nan 0.000 0.428 370 V N 1.734 121.678 119.914 0.051 0.000 2.252 370 V HA -0.333 3.787 4.120 -0.000 0.000 0.249 370 V C 2.324 178.429 176.094 0.018 0.000 1.056 370 V CA 2.198 64.520 62.300 0.038 0.000 1.022 370 V CB -0.595 31.249 31.823 0.035 0.000 0.641 370 V HN 0.346 nan 8.190 nan 0.000 0.445 371 K N -0.105 120.305 120.400 0.017 0.000 2.057 371 K HA -0.215 4.105 4.320 -0.000 0.000 0.206 371 K C 2.423 179.021 176.600 -0.002 0.000 1.050 371 K CA 1.633 57.920 56.287 -0.001 0.000 0.935 371 K CB -0.149 32.357 32.500 0.009 0.000 0.715 371 K HN 0.315 nan 8.250 nan 0.000 0.439 372 R N 0.819 121.335 120.500 0.026 0.000 2.083 372 R HA -0.116 4.224 4.340 -0.000 0.000 0.237 372 R C 2.244 178.588 176.300 0.075 0.000 1.137 372 R CA 1.743 57.864 56.100 0.036 0.000 0.951 372 R CB -0.282 30.054 30.300 0.059 0.000 0.851 372 R HN 0.233 nan 8.270 nan 0.000 0.434 373 I N 1.417 122.070 120.570 0.138 0.000 2.163 373 I HA -0.334 3.836 4.170 -0.000 0.000 0.243 373 I C 2.414 178.609 176.117 0.129 0.000 1.085 373 I CA 1.894 63.355 61.300 0.268 0.000 1.347 373 I CB -0.434 37.644 38.000 0.129 0.000 1.044 373 I HN 0.302 nan 8.210 nan 0.000 0.408 374 K N 1.218 121.580 120.400 -0.064 0.000 2.155 374 K HA -0.121 4.199 4.320 -0.000 0.000 0.203 374 K C 1.714 178.167 176.600 -0.245 0.000 1.052 374 K CA 1.311 57.410 56.287 -0.313 0.000 0.948 374 K CB -0.232 31.926 32.500 -0.570 0.000 0.728 374 K HN 0.329 nan 8.250 nan 0.000 0.448 375 E N 0.853 120.982 120.200 -0.120 0.000 2.158 375 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 375 E C 1.922 178.475 176.600 -0.079 0.000 0.982 375 E CA 1.525 57.880 56.400 -0.074 0.000 0.823 375 E CB 0.193 29.866 29.700 -0.045 0.000 0.766 375 E HN 0.713 nan 8.360 nan 0.000 0.468 376 E N -0.403 119.725 120.200 -0.121 0.000 2.206 376 E HA -0.017 4.333 4.350 -0.000 0.000 0.195 376 E C 1.593 178.026 176.600 -0.278 0.000 0.935 376 E CA 0.156 56.408 56.400 -0.247 0.000 0.875 376 E CB -0.349 29.108 29.700 -0.405 0.000 0.841 376 E HN 0.076 nan 8.360 nan 0.000 0.477 377 F N 1.265 121.196 119.950 -0.031 0.000 2.416 377 F HA 0.320 4.847 4.527 -0.000 0.000 0.296 377 F C 1.763 177.560 175.800 -0.006 0.000 1.099 377 F CA 1.089 59.079 58.000 -0.018 0.000 1.427 377 F CB 0.342 39.329 39.000 -0.021 0.000 1.079 377 F HN 0.318 nan 8.300 nan 0.000 0.536 378 G N 1.342 110.213 108.800 0.118 0.000 2.136 378 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.242 378 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.242 378 G C 0.288 175.295 174.900 0.179 0.000 0.989 378 G CA 0.193 45.361 45.100 0.114 0.000 0.682 378 G HN 0.499 nan 8.290 nan 0.000 0.522 379 I N -2.104 118.515 120.570 0.082 0.000 2.312 379 I HA 0.679 4.849 4.170 -0.000 0.000 0.290 379 I C -0.356 175.771 176.117 0.018 0.000 1.008 379 I CA -1.566 59.816 61.300 0.137 0.000 1.226 379 I CB 0.688 38.737 38.000 0.082 0.000 1.371 379 I HN -0.054 nan 8.210 nan 0.000 0.468 380 Y N 7.620 127.994 120.300 0.124 0.000 2.452 380 Y HA 0.503 5.053 4.550 -0.000 0.000 0.348 380 Y C 0.499 176.402 175.900 0.005 0.000 0.985 380 Y CA -0.614 57.530 58.100 0.073 0.000 1.214 380 Y CB 0.967 39.484 38.460 0.096 0.000 1.136 380 Y HN 0.660 nan 8.280 nan 0.000 0.523 381 M N 0.679 120.337 119.600 0.096 0.000 2.591 381 M HA 0.749 5.229 4.480 -0.000 0.000 0.306 381 M C -1.203 175.134 176.300 0.062 0.000 1.190 381 M CA -1.271 54.071 55.300 0.071 0.000 0.889 381 M CB 1.462 34.095 32.600 0.056 0.000 1.728 381 M HN 0.093 nan 8.290 nan 0.000 0.458 382 V N 2.541 122.483 119.914 0.047 0.000 2.928 382 V HA 0.034 4.154 4.120 -0.000 0.000 0.307 382 V C 1.716 177.823 176.094 0.023 0.000 1.105 382 V CA 1.234 63.550 62.300 0.025 0.000 1.223 382 V CB 0.616 32.432 31.823 -0.012 0.000 0.930 382 V HN 1.153 nan 8.190 nan 0.000 0.499 383 G N 2.927 111.738 108.800 0.019 0.000 2.517 383 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.222 383 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.222 383 G C 0.800 175.711 174.900 0.017 0.000 1.109 383 G CA 0.975 46.086 45.100 0.018 0.000 0.746 383 G HN 0.992 nan 8.290 nan 0.000 0.576 384 D N -0.496 119.908 120.400 0.006 0.000 2.370 384 D HA 0.081 4.721 4.640 -0.000 0.000 0.230 384 D C 1.153 177.465 176.300 0.020 0.000 1.143 384 D CA 0.580 54.584 54.000 0.006 0.000 0.834 384 D CB -0.690 40.099 40.800 -0.019 0.000 0.944 384 D HN 0.508 nan 8.370 nan 0.000 0.504 385 S N -1.035 114.688 115.700 0.039 0.000 3.748 385 S HA -0.308 4.162 4.470 -0.000 0.000 0.329 385 S C 0.208 174.852 174.600 0.074 0.000 1.104 385 S CA 0.249 58.490 58.200 0.068 0.000 0.954 385 S CB -2.531 60.730 63.200 0.101 0.000 0.910 385 S HN 0.664 nan 8.310 nan 0.000 0.494 386 R N 1.333 121.859 120.500 0.043 0.000 2.221 386 R HA 0.671 5.011 4.340 -0.000 0.000 0.327 386 R C 0.427 176.791 176.300 0.107 0.000 1.033 386 R CA -0.422 55.709 56.100 0.051 0.000 0.887 386 R CB 0.345 30.618 30.300 -0.046 0.000 1.057 386 R HN 0.731 nan 8.270 nan 0.000 0.455 387 I N 1.431 122.102 120.570 0.168 0.000 2.474 387 I HA 0.405 4.575 4.170 -0.000 0.000 0.294 387 I C -0.740 175.513 176.117 0.227 0.000 1.005 387 I CA -1.090 60.307 61.300 0.162 0.000 1.113 387 I CB 1.959 40.024 38.000 0.108 0.000 1.289 387 I HN 0.404 nan 8.210 nan 0.000 0.436 388 N N 5.300 124.111 118.700 0.186 0.000 2.439 388 N HA 0.203 4.943 4.740 -0.000 0.000 0.243 388 N C 0.518 176.033 175.510 0.008 0.000 1.088 388 N CA -0.189 52.920 53.050 0.098 0.000 0.940 388 N CB 0.799 39.344 38.487 0.098 0.000 1.180 388 N HN 0.791 nan 8.380 nan 0.000 0.505 389 I N 3.486 124.040 120.570 -0.027 0.000 2.248 389 I HA -0.277 3.893 4.170 -0.000 0.000 0.248 389 I C 2.131 178.246 176.117 -0.004 0.000 1.107 389 I CA 1.339 62.633 61.300 -0.010 0.000 1.373 389 I CB -0.462 37.531 38.000 -0.011 0.000 1.055 389 I HN 0.718 nan 8.210 nan 0.000 0.418 390 A N -0.018 122.798 122.820 -0.005 0.000 2.131 390 A HA -0.089 4.231 4.320 -0.000 0.000 0.220 390 A C 2.407 179.970 177.584 -0.036 0.000 1.158 390 A CA 1.563 53.620 52.037 0.032 0.000 0.665 390 A CB -1.365 17.695 19.000 0.100 0.000 0.795 390 A HN 0.479 nan 8.150 nan 0.000 0.460 391 G N -1.151 107.627 108.800 -0.036 0.000 2.572 391 G HA2 0.233 4.193 3.960 -0.000 0.000 0.216 391 G HA3 0.233 4.193 3.960 -0.000 0.000 0.216 391 G C 0.620 175.501 174.900 -0.032 0.000 1.133 391 G CA 0.128 45.200 45.100 -0.047 0.000 0.791 391 G HN 0.301 nan 8.290 nan 0.000 0.538 392 L N 0.721 121.932 121.223 -0.020 0.000 2.454 392 L HA 0.464 4.804 4.340 -0.000 0.000 0.256 392 L C 0.032 176.892 176.870 -0.016 0.000 1.136 392 L CA -0.385 54.445 54.840 -0.017 0.000 0.804 392 L CB 0.907 42.955 42.059 -0.018 0.000 1.181 392 L HN 0.482 nan 8.230 nan 0.000 0.469 393 N N -2.360 116.331 118.700 -0.016 0.000 2.927 393 N HA 0.162 4.902 4.740 -0.000 0.000 0.248 393 N C -0.138 175.364 175.510 -0.014 0.000 1.443 393 N CA -0.613 52.429 53.050 -0.013 0.000 0.870 393 N CB 0.419 38.896 38.487 -0.017 0.000 1.444 393 N HN 0.279 nan 8.380 nan 0.000 0.519 394 D N -0.597 119.796 120.400 -0.011 0.000 2.191 394 D HA -0.228 4.412 4.640 -0.000 0.000 0.195 394 D C 1.137 177.429 176.300 -0.014 0.000 1.003 394 D CA 2.039 56.032 54.000 -0.013 0.000 0.867 394 D CB -0.149 40.645 40.800 -0.009 0.000 0.926 394 D HN 0.728 nan 8.370 nan 0.000 0.450 395 N N -0.643 118.051 118.700 -0.011 0.000 2.424 395 N HA -0.066 4.674 4.740 -0.000 0.000 0.178 395 N C 1.237 176.742 175.510 -0.008 0.000 1.060 395 N CA 1.184 54.229 53.050 -0.008 0.000 0.901 395 N CB 0.010 38.495 38.487 -0.004 0.000 0.979 395 N HN 0.261 nan 8.380 nan 0.000 0.451 396 T N -1.669 112.879 114.554 -0.010 0.000 3.037 396 T HA 0.278 4.628 4.350 -0.000 0.000 0.251 396 T C 2.001 176.686 174.700 -0.026 0.000 1.079 396 T CA -0.267 61.828 62.100 -0.009 0.000 1.067 396 T CB -0.162 68.706 68.868 0.001 0.000 0.948 396 T HN 0.031 nan 8.240 nan 0.000 0.496 397 I N 2.592 123.142 120.570 -0.033 0.000 2.113 397 I HA -0.054 4.116 4.170 -0.000 0.000 0.238 397 I C -0.190 175.886 176.117 -0.068 0.000 1.070 397 I CA 1.195 62.464 61.300 -0.051 0.000 1.332 397 I CB -0.981 36.990 38.000 -0.047 0.000 1.044 397 I HN 0.197 nan 8.210 nan 0.000 0.402 398 P HA -0.173 nan 4.420 nan 0.000 0.218 398 P C 1.838 179.096 177.300 -0.071 0.000 1.148 398 P CA 1.777 64.840 63.100 -0.061 0.000 0.822 398 P CB -0.127 31.549 31.700 -0.039 0.000 0.784 399 I N -0.864 119.673 120.570 -0.054 0.000 2.226 399 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 399 I C 2.596 178.644 176.117 -0.115 0.000 1.100 399 I CA 0.932 62.200 61.300 -0.054 0.000 1.374 399 I CB -0.804 37.189 38.000 -0.012 0.000 1.057 399 I HN -0.083 nan 8.210 nan 0.000 0.413 400 L N 1.476 122.632 121.223 -0.112 0.000 2.017 400 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 400 L C 2.615 179.351 176.870 -0.223 0.000 1.073 400 L CA 2.204 56.951 54.840 -0.154 0.000 0.745 400 L CB -0.782 41.211 42.059 -0.110 0.000 0.894 400 L HN 0.178 nan 8.230 nan 0.000 0.432 401 A N -0.211 122.489 122.820 -0.200 0.000 1.908 401 A HA -0.292 4.028 4.320 -0.000 0.000 0.218 401 A C 2.566 180.008 177.584 -0.236 0.000 1.181 401 A CA 2.049 53.943 52.037 -0.240 0.000 0.627 401 A CB -0.782 18.104 19.000 -0.191 0.000 0.818 401 A HN 0.566 nan 8.150 nan 0.000 0.445 402 R N -0.453 119.930 120.500 -0.196 0.000 2.083 402 R HA -0.135 4.205 4.340 -0.000 0.000 0.237 402 R C 2.334 178.441 176.300 -0.321 0.000 1.137 402 R CA 1.561 57.555 56.100 -0.176 0.000 0.951 402 R CB -0.446 29.791 30.300 -0.104 0.000 0.851 402 R HN 0.456 nan 8.270 nan 0.000 0.434 403 A N 1.252 123.737 122.820 -0.557 0.000 1.858 403 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 403 A C 2.180 179.358 177.584 -0.676 0.000 1.190 403 A CA 1.699 53.026 52.037 -1.184 0.000 0.617 403 A CB -0.601 17.714 19.000 -1.141 0.000 0.827 403 A HN 0.384 nan 8.150 nan 0.000 0.443 404 I N -0.122 120.210 120.570 -0.396 0.000 2.286 404 I HA -0.234 3.936 4.170 -0.000 0.000 0.248 404 I C 2.198 178.236 176.117 -0.131 0.000 1.115 404 I CA 0.824 61.989 61.300 -0.226 0.000 1.392 404 I CB -0.429 37.407 38.000 -0.273 0.000 1.065 404 I HN 0.243 nan 8.210 nan 0.000 0.418 405 I N 1.007 121.482 120.570 -0.158 0.000 2.142 405 I HA -0.239 3.931 4.170 -0.000 0.000 0.240 405 I C 2.571 178.691 176.117 0.004 0.000 1.078 405 I CA 1.755 63.026 61.300 -0.048 0.000 1.343 405 I CB -1.145 36.819 38.000 -0.059 0.000 1.046 405 I HN 0.341 nan 8.210 nan 0.000 0.405 406 E N 0.316 120.507 120.200 -0.014 0.000 2.110 406 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 406 E C 2.341 179.020 176.600 0.131 0.000 0.988 406 E CA 1.163 57.619 56.400 0.094 0.000 0.804 406 E CB -0.001 29.838 29.700 0.231 0.000 0.745 406 E HN 0.276 nan 8.360 nan 0.000 0.458 407 V N 0.981 120.963 119.914 0.112 0.000 2.453 407 V HA -0.067 4.053 4.120 -0.000 0.000 0.247 407 V C 1.414 177.570 176.094 0.105 0.000 1.048 407 V CA 0.943 63.328 62.300 0.141 0.000 1.049 407 V CB -0.723 31.186 31.823 0.144 0.000 0.672 407 V HN 0.261 nan 8.190 nan 0.000 0.457 408 G N 1.169 110.028 108.800 0.098 0.000 2.113 408 G HA2 0.152 4.112 3.960 -0.000 0.000 0.263 408 G HA3 0.152 4.112 3.960 -0.000 0.000 0.263 408 G C -0.069 174.887 174.900 0.092 0.000 0.954 408 G CA 0.720 45.890 45.100 0.117 0.000 0.996 408 G HN 0.200 nan 8.290 nan 0.000 0.381 409 V N 0.000 119.962 119.914 0.081 0.000 2.409 409 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 409 V CA 0.000 62.337 62.300 0.061 0.000 1.235 409 V CB 0.000 31.855 31.823 0.053 0.000 1.184 409 V HN 0.000 nan 8.190 nan 0.000 0.556