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 1ay8_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 0.005 0.000 0.988 5 M CB 0.000 32.604 32.600 0.006 0.000 1.302 6 L N 0.772 121.999 121.223 0.007 0.000 2.261 6 L HA -0.093 4.247 4.340 -0.000 0.000 0.216 6 L C 2.116 178.989 176.870 0.006 0.000 1.114 6 L CA 1.608 56.453 54.840 0.007 0.000 0.777 6 L CB -0.986 41.077 42.059 0.007 0.000 0.910 6 L HN 0.587 nan 8.230 nan 0.000 0.440 7 G N -0.097 108.706 108.800 0.005 0.000 2.559 7 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.216 7 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.216 7 G C 1.111 176.014 174.900 0.005 0.000 1.126 7 G CA 0.347 45.449 45.100 0.004 0.000 0.778 7 G HN 0.418 nan 8.290 nan 0.000 0.543 8 N N -0.160 118.543 118.700 0.006 0.000 2.398 8 N HA 0.148 4.888 4.740 -0.000 0.000 0.188 8 N C 0.376 175.891 175.510 0.009 0.000 1.122 8 N CA -0.120 52.934 53.050 0.006 0.000 0.866 8 N CB 0.168 38.658 38.487 0.006 0.000 0.970 8 N HN 0.227 nan 8.380 nan 0.000 0.462 9 L N 1.549 122.778 121.223 0.010 0.000 2.500 9 L HA 0.070 4.410 4.340 -0.000 0.000 0.272 9 L C 0.442 177.319 176.870 0.011 0.000 1.149 9 L CA 0.116 54.964 54.840 0.013 0.000 0.897 9 L CB 0.334 42.401 42.059 0.012 0.000 1.178 9 L HN 0.015 nan 8.230 nan 0.000 0.473 10 K N 5.251 125.659 120.400 0.013 0.000 2.237 10 K HA 0.279 4.599 4.320 -0.000 0.000 0.270 10 K C -2.045 174.561 176.600 0.010 0.000 1.015 10 K CA -1.498 54.796 56.287 0.011 0.000 0.949 10 K CB 0.304 32.812 32.500 0.013 0.000 0.976 10 K HN 0.380 nan 8.250 nan 0.000 0.472 11 P HA 0.010 nan 4.420 nan 0.000 0.271 11 P C -0.980 176.321 177.300 0.000 0.000 1.216 11 P CA -0.153 62.948 63.100 0.001 0.000 0.776 11 P CB 0.819 32.518 31.700 -0.002 0.000 0.881 12 Q N 0.712 120.509 119.800 -0.005 0.000 2.226 12 Q HA 0.548 4.888 4.340 -0.000 0.000 0.256 12 Q C -0.164 175.825 176.000 -0.019 0.000 0.962 12 Q CA -0.798 54.999 55.803 -0.010 0.000 0.887 12 Q CB 1.926 30.654 28.738 -0.017 0.000 1.282 12 Q HN 0.554 nan 8.270 nan 0.000 0.449 13 A N 3.096 125.903 122.820 -0.022 0.000 2.409 13 A HA 0.504 4.824 4.320 -0.000 0.000 0.267 13 A C -1.797 175.760 177.584 -0.044 0.000 1.127 13 A CA -0.868 51.151 52.037 -0.029 0.000 0.795 13 A CB -0.590 18.393 19.000 -0.028 0.000 1.061 13 A HN 0.441 nan 8.150 nan 0.000 0.502 14 P HA 0.146 nan 4.420 nan 0.000 0.273 14 P C -0.560 176.700 177.300 -0.067 0.000 1.250 14 P CA -0.421 62.649 63.100 -0.051 0.000 0.793 14 P CB 0.461 32.138 31.700 -0.040 0.000 1.011 15 D N 0.589 120.943 120.400 -0.076 0.000 2.352 15 D HA 0.006 4.646 4.640 -0.000 0.000 0.245 15 D C 0.681 176.933 176.300 -0.080 0.000 1.224 15 D CA -0.307 53.634 54.000 -0.098 0.000 0.879 15 D CB 0.796 41.532 40.800 -0.108 0.000 1.057 15 D HN 0.177 nan 8.370 nan 0.000 0.491 16 K N 4.261 124.612 120.400 -0.082 0.000 2.034 16 K HA -0.197 4.123 4.320 -0.000 0.000 0.214 16 K C 1.881 178.450 176.600 -0.052 0.000 1.051 16 K CA 1.404 57.655 56.287 -0.060 0.000 0.931 16 K CB -0.639 31.824 32.500 -0.061 0.000 0.715 16 K HN 0.498 nan 8.250 nan 0.000 0.446 17 I N 0.641 121.170 120.570 -0.068 0.000 2.179 17 I HA -0.195 3.975 4.170 -0.000 0.000 0.242 17 I C 2.177 178.275 176.117 -0.033 0.000 1.088 17 I CA 1.234 62.507 61.300 -0.044 0.000 1.357 17 I CB -0.351 37.622 38.000 -0.045 0.000 1.051 17 I HN 0.029 nan 8.210 nan 0.000 0.409 18 L N 0.532 121.730 121.223 -0.042 0.000 2.465 18 L HA -0.046 4.294 4.340 -0.000 0.000 0.224 18 L C 2.714 179.561 176.870 -0.038 0.000 1.145 18 L CA 0.477 55.297 54.840 -0.034 0.000 0.834 18 L CB -0.636 41.402 42.059 -0.035 0.000 0.944 18 L HN 0.220 nan 8.230 nan 0.000 0.451 19 A N 0.594 123.389 122.820 -0.041 0.000 1.872 19 A HA -0.108 4.212 4.320 -0.000 0.000 0.214 19 A C 2.226 179.784 177.584 -0.044 0.000 1.187 19 A CA 1.080 53.094 52.037 -0.038 0.000 0.614 19 A CB -0.492 18.488 19.000 -0.032 0.000 0.826 19 A HN 0.333 nan 8.150 nan 0.000 0.442 20 L N -1.129 120.068 121.223 -0.044 0.000 2.083 20 L HA -0.217 4.123 4.340 -0.000 0.000 0.209 20 L C 2.791 179.597 176.870 -0.107 0.000 1.083 20 L CA 1.741 56.536 54.840 -0.075 0.000 0.752 20 L CB -0.527 41.512 42.059 -0.033 0.000 0.899 20 L HN 0.553 nan 8.230 nan 0.000 0.433 21 M N -0.005 119.554 119.600 -0.069 0.000 2.144 21 M HA -0.196 4.284 4.480 -0.000 0.000 0.260 21 M C 1.990 178.274 176.300 -0.027 0.000 1.067 21 M CA 2.240 57.506 55.300 -0.057 0.000 1.095 21 M CB -0.366 32.208 32.600 -0.043 0.000 1.365 21 M HN 0.286 nan 8.290 nan 0.000 0.406 22 G N -0.665 108.113 108.800 -0.038 0.000 2.408 22 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.215 22 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.215 22 G C 1.215 176.085 174.900 -0.050 0.000 1.156 22 G CA 0.532 45.614 45.100 -0.030 0.000 0.793 22 G HN 0.569 nan 8.290 nan 0.000 0.535 23 E N -0.404 119.741 120.200 -0.091 0.000 2.077 23 E HA -0.043 4.307 4.350 -0.000 0.000 0.193 23 E C 1.071 177.536 176.600 -0.225 0.000 0.989 23 E CA -0.032 56.283 56.400 -0.141 0.000 0.800 23 E CB -0.099 29.504 29.700 -0.162 0.000 0.746 23 E HN 0.386 nan 8.360 nan 0.000 0.452 32 K N 0.699 121.140 120.400 0.069 0.000 2.298 32 K HA 0.544 4.864 4.320 -0.000 0.000 0.280 32 K C -0.328 176.488 176.600 0.359 0.000 1.032 32 K CA 0.119 56.517 56.287 0.185 0.000 0.958 32 K CB 1.497 34.033 32.500 0.059 0.000 0.978 32 K HN 0.185 nan 8.250 nan 0.000 0.472 33 I N 2.288 123.081 120.570 0.371 0.000 2.439 33 I HA 0.061 4.231 4.170 -0.000 0.000 0.283 33 I C -0.757 175.515 176.117 0.258 0.000 1.023 33 I CA -0.852 60.602 61.300 0.257 0.000 1.100 33 I CB 1.652 39.710 38.000 0.097 0.000 1.238 33 I HN 0.538 nan 8.210 nan 0.000 0.445 34 D N 6.861 127.262 120.400 0.001 0.000 2.339 34 D HA 0.331 4.971 4.640 -0.000 0.000 0.241 34 D C -0.225 175.997 176.300 -0.130 0.000 1.183 34 D CA 0.006 53.826 54.000 -0.300 0.000 0.859 34 D CB 1.247 41.382 40.800 -1.108 0.000 1.067 34 D HN 0.282 nan 8.370 nan 0.000 0.484 35 L N 3.827 125.045 121.223 -0.008 0.000 3.289 35 L HA 0.431 4.771 4.340 -0.000 0.000 0.291 35 L C 1.173 178.083 176.870 0.067 0.000 1.279 35 L CA -0.130 54.726 54.840 0.027 0.000 1.025 35 L CB 1.005 43.099 42.059 0.057 0.000 1.413 35 L HN 0.576 nan 8.230 nan 0.000 0.593 36 G N -1.249 107.570 108.800 0.031 0.000 2.722 36 G HA2 0.109 4.069 3.960 -0.000 0.000 0.201 36 G HA3 0.109 4.069 3.960 -0.000 0.000 0.201 36 G C 0.146 175.105 174.900 0.098 0.000 1.926 36 G CA 0.082 45.217 45.100 0.058 0.000 0.872 36 G HN -0.084 nan 8.290 nan 0.000 0.581 37 V N 2.107 122.052 119.914 0.050 0.000 2.726 37 V HA 0.316 4.436 4.120 -0.000 0.000 0.304 37 V C 1.405 177.621 176.094 0.202 0.000 1.115 37 V CA 0.694 63.054 62.300 0.099 0.000 1.264 37 V CB 0.714 32.550 31.823 0.022 0.000 0.867 37 V HN 0.642 nan 8.190 nan 0.000 0.498 38 G N 6.516 115.547 108.800 0.386 0.000 3.090 38 G HA2 0.365 4.325 3.960 -0.000 0.000 0.259 38 G HA3 0.365 4.325 3.960 -0.000 0.000 0.259 38 G C -0.329 174.736 174.900 0.275 0.000 0.797 38 G CA -0.080 45.343 45.100 0.538 0.000 2.032 38 G HN 0.684 nan 8.290 nan 0.000 0.614 39 V N 1.207 121.182 119.914 0.102 0.000 2.628 39 V HA 0.327 4.447 4.120 -0.000 0.000 0.306 39 V C -0.490 175.642 176.094 0.063 0.000 1.045 39 V CA -1.295 61.008 62.300 0.004 0.000 0.905 39 V CB 1.824 33.471 31.823 -0.292 0.000 0.997 39 V HN 0.504 nan 8.190 nan 0.000 0.436 40 Y N 4.925 125.301 120.300 0.127 0.000 2.359 40 Y HA 0.453 5.003 4.550 -0.000 0.000 0.330 40 Y C 0.120 176.077 175.900 0.095 0.000 1.143 40 Y CA -0.080 58.104 58.100 0.140 0.000 1.318 40 Y CB 0.457 39.102 38.460 0.309 0.000 1.234 40 Y HN 0.547 nan 8.280 nan 0.000 0.522 41 K N 4.872 124.742 120.400 -0.884 0.000 2.426 41 K HA 0.262 4.582 4.320 -0.000 0.000 0.251 41 K C -1.188 174.897 176.600 -0.858 0.000 0.941 41 K CA -1.082 54.802 56.287 -0.672 0.000 0.808 41 K CB 1.675 33.977 32.500 -0.330 0.000 1.265 41 K HN 0.753 nan 8.250 nan 0.000 0.432 42 D N 0.255 120.398 120.400 -0.429 0.000 2.478 42 D HA 0.232 4.872 4.640 -0.000 0.000 0.263 42 D C 0.936 177.195 176.300 -0.070 0.000 1.153 42 D CA -0.562 53.335 54.000 -0.172 0.000 1.038 42 D CB 0.497 41.311 40.800 0.023 0.000 1.120 42 D HN 0.425 nan 8.370 nan 0.000 0.564 43 A N -0.355 122.468 122.820 0.006 0.000 1.958 43 A HA -0.175 4.145 4.320 -0.000 0.000 0.221 43 A C 1.793 179.385 177.584 0.014 0.000 1.178 43 A CA 2.695 54.740 52.037 0.014 0.000 0.642 43 A CB -1.445 17.576 19.000 0.035 0.000 0.816 43 A HN 0.766 nan 8.150 nan 0.000 0.453 44 T N -4.102 110.484 114.554 0.053 0.000 3.244 44 T HA 0.437 4.787 4.350 -0.000 0.000 0.254 44 T C 1.114 175.769 174.700 -0.074 0.000 1.024 44 T CA 0.845 62.993 62.100 0.080 0.000 0.920 44 T CB -0.350 68.666 68.868 0.246 0.000 1.042 44 T HN 1.756 nan 8.240 nan 0.000 0.572 45 G N 1.269 109.992 108.800 -0.129 0.000 2.225 45 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.267 45 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.267 45 G C -0.267 174.408 174.900 -0.375 0.000 1.024 45 G CA 0.258 45.212 45.100 -0.243 0.000 0.784 45 G HN 0.793 nan 8.290 nan 0.000 0.507 46 H N -0.780 118.249 119.070 -0.069 0.000 2.524 46 H HA 0.613 5.169 4.556 -0.000 0.000 0.353 46 H C -0.060 175.223 175.328 -0.075 0.000 1.136 46 H CA -0.197 55.822 56.048 -0.049 0.000 1.193 46 H CB 1.632 31.387 29.762 -0.011 0.000 1.558 46 H HN 0.080 nan 8.280 nan 0.000 0.515 47 T N 5.792 120.396 114.554 0.083 0.000 2.910 47 T HA 0.205 4.555 4.350 -0.000 0.000 0.323 47 T C -2.019 172.783 174.700 0.170 0.000 1.091 47 T CA -1.242 60.907 62.100 0.081 0.000 0.960 47 T CB 0.164 69.038 68.868 0.009 0.000 1.024 47 T HN 0.469 nan 8.240 nan 0.000 0.509 48 P HA 0.441 nan 4.420 nan 0.000 0.276 48 P C -0.485 176.941 177.300 0.212 0.000 1.261 48 P CA -0.698 62.507 63.100 0.175 0.000 0.800 48 P CB 1.214 33.007 31.700 0.154 0.000 1.066 49 I N 0.844 121.511 120.570 0.162 0.000 2.342 49 I HA 0.211 4.381 4.170 -0.000 0.000 0.291 49 I C 1.109 177.327 176.117 0.169 0.000 1.010 49 I CA -0.722 60.687 61.300 0.181 0.000 1.308 49 I CB 0.640 38.739 38.000 0.166 0.000 1.400 49 I HN 0.165 nan 8.210 nan 0.000 0.488 50 M N 5.528 125.246 119.600 0.196 0.000 2.248 50 M HA 0.124 4.604 4.480 -0.000 0.000 0.345 50 M C 1.398 177.802 176.300 0.173 0.000 1.243 50 M CA 0.258 55.667 55.300 0.182 0.000 1.090 50 M CB 0.421 33.155 32.600 0.222 0.000 1.683 50 M HN 0.567 nan 8.290 nan 0.000 0.450 51 R N 2.010 122.593 120.500 0.138 0.000 2.112 51 R HA -0.232 4.108 4.340 -0.000 0.000 0.242 51 R C 2.147 178.546 176.300 0.165 0.000 1.137 51 R CA 2.078 58.258 56.100 0.133 0.000 0.944 51 R CB -0.765 29.591 30.300 0.093 0.000 0.857 51 R HN 0.894 nan 8.270 nan 0.000 0.435 52 A N 0.623 123.541 122.820 0.163 0.000 1.933 52 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 52 A C 2.413 180.069 177.584 0.120 0.000 1.175 52 A CA 1.424 53.548 52.037 0.146 0.000 0.628 52 A CB -0.452 18.660 19.000 0.187 0.000 0.814 52 A HN 0.145 nan 8.150 nan 0.000 0.444 53 V N -0.417 119.585 119.914 0.148 0.000 2.343 53 V HA -0.272 3.848 4.120 -0.000 0.000 0.247 53 V C 2.502 178.660 176.094 0.107 0.000 1.051 53 V CA 2.136 64.503 62.300 0.111 0.000 1.036 53 V CB -0.947 30.967 31.823 0.151 0.000 0.654 53 V HN 0.793 nan 8.190 nan 0.000 0.451 54 H N 0.460 119.570 119.070 0.067 0.000 2.321 54 H HA -0.150 4.406 4.556 -0.000 0.000 0.300 54 H C 2.257 177.611 175.328 0.044 0.000 1.087 54 H CA 1.859 57.943 56.048 0.059 0.000 1.319 54 H CB 0.121 29.920 29.762 0.062 0.000 1.379 54 H HN 0.402 nan 8.280 nan 0.000 0.501 55 A N 1.034 123.892 122.820 0.065 0.000 1.933 55 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 55 A C 2.673 180.230 177.584 -0.045 0.000 1.175 55 A CA 1.542 53.583 52.037 0.006 0.000 0.628 55 A CB -0.887 18.151 19.000 0.064 0.000 0.814 55 A HN 0.574 nan 8.150 nan 0.000 0.444 56 A N -0.159 122.640 122.820 -0.035 0.000 1.902 56 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 56 A C 1.927 179.456 177.584 -0.092 0.000 1.181 56 A CA 1.591 53.590 52.037 -0.064 0.000 0.623 56 A CB -0.517 18.435 19.000 -0.079 0.000 0.818 56 A HN 0.617 nan 8.150 nan 0.000 0.443 57 E N -0.392 119.747 120.200 -0.102 0.000 2.110 57 E HA -0.223 4.127 4.350 -0.000 0.000 0.193 57 E C 2.279 178.829 176.600 -0.084 0.000 0.988 57 E CA 1.305 57.660 56.400 -0.075 0.000 0.804 57 E CB -0.182 29.500 29.700 -0.030 0.000 0.745 57 E HN 0.731 nan 8.360 nan 0.000 0.458 58 Q N 0.212 119.919 119.800 -0.156 0.000 2.119 58 Q HA -0.120 4.220 4.340 -0.000 0.000 0.201 58 Q C 2.164 178.129 176.000 -0.058 0.000 0.972 58 Q CA 1.019 56.748 55.803 -0.124 0.000 0.847 58 Q CB -0.047 28.599 28.738 -0.152 0.000 0.903 58 Q HN 0.178 nan 8.270 nan 0.000 0.433 59 R N 0.035 120.505 120.500 -0.051 0.000 2.090 59 R HA -0.015 4.325 4.340 -0.000 0.000 0.228 59 R C 2.247 178.536 176.300 -0.018 0.000 1.110 59 R CA 1.193 57.276 56.100 -0.028 0.000 0.973 59 R CB -0.156 30.128 30.300 -0.027 0.000 0.869 59 R HN 0.258 nan 8.270 nan 0.000 0.440 60 M N 0.500 120.087 119.600 -0.022 0.000 2.117 60 M HA -0.172 4.308 4.480 -0.000 0.000 0.262 60 M C 2.297 178.615 176.300 0.029 0.000 1.065 60 M CA 1.509 56.813 55.300 0.007 0.000 1.114 60 M CB -0.247 32.353 32.600 -0.000 0.000 1.361 60 M HN 0.192 nan 8.290 nan 0.000 0.408 61 L N 0.043 121.278 121.223 0.020 0.000 2.079 61 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 61 L C 2.214 179.088 176.870 0.006 0.000 1.081 61 L CA 1.589 56.440 54.840 0.017 0.000 0.752 61 L CB -0.246 41.816 42.059 0.004 0.000 0.896 61 L HN 0.382 nan 8.230 nan 0.000 0.433 62 E N -1.235 118.965 120.200 0.001 0.000 2.112 62 E HA -0.155 4.195 4.350 -0.000 0.000 0.190 62 E C 1.942 178.543 176.600 0.000 0.000 0.979 62 E CA 1.639 58.038 56.400 -0.001 0.000 0.814 62 E CB 0.139 29.837 29.700 -0.004 0.000 0.762 62 E HN 0.610 nan 8.360 nan 0.000 0.460 63 T N -0.993 113.563 114.554 0.005 0.000 3.009 63 T HA 0.028 4.378 4.350 -0.000 0.000 0.258 63 T C 1.012 175.717 174.700 0.008 0.000 1.063 63 T CA -0.018 62.086 62.100 0.007 0.000 1.139 63 T CB 0.166 69.039 68.868 0.010 0.000 0.890 63 T HN -0.147 nan 8.240 nan 0.000 0.471 67 T N 0.413 114.904 114.554 -0.105 0.000 2.821 67 T HA 0.625 4.975 4.350 -0.000 0.000 0.306 67 T C -1.580 172.991 174.700 -0.215 0.000 1.313 67 T CA -0.605 61.409 62.100 -0.143 0.000 1.012 67 T CB 2.133 70.918 68.868 -0.138 0.000 1.298 67 T HN 0.125 nan 8.240 nan 0.000 0.502 68 K N 1.772 122.027 120.400 -0.243 0.000 2.706 68 K HA 0.244 4.564 4.320 -0.000 0.000 0.203 68 K C 0.106 176.479 176.600 -0.378 0.000 1.102 68 K CA -0.311 55.782 56.287 -0.324 0.000 1.058 68 K CB 0.722 33.072 32.500 -0.249 0.000 0.779 68 K HN 0.699 nan 8.250 nan 0.000 0.483 69 T N 0.217 114.563 114.554 -0.347 0.000 2.680 69 T HA 0.035 4.385 4.350 -0.000 0.000 0.314 69 T C 0.392 174.823 174.700 -0.449 0.000 1.045 69 T CA -0.045 61.820 62.100 -0.392 0.000 1.025 69 T CB 0.296 69.019 68.868 -0.241 0.000 1.000 69 T HN -0.024 nan 8.240 nan 0.000 0.535 70 Y N 0.461 120.532 120.300 -0.382 0.000 2.597 70 Y HA 0.387 4.937 4.550 -0.000 0.000 0.336 70 Y C 0.913 176.503 175.900 -0.516 0.000 1.216 70 Y CA -0.004 57.683 58.100 -0.688 0.000 1.463 70 Y CB -0.183 37.734 38.460 -0.905 0.000 1.303 70 Y HN 0.890 nan 8.280 nan 0.000 0.576 71 A N 1.995 124.611 122.820 -0.340 0.000 3.934 71 A HA 0.773 5.093 4.320 -0.000 0.000 0.163 71 A C 0.486 178.133 177.584 0.106 0.000 1.103 71 A CA -0.181 51.805 52.037 -0.085 0.000 1.170 71 A CB -0.509 18.476 19.000 -0.025 0.000 1.564 71 A HN 0.813 nan 8.150 nan 0.000 0.705 72 G N -0.752 108.167 108.800 0.199 0.000 2.403 72 G HA2 0.429 4.389 3.960 -0.000 0.000 0.259 72 G HA3 0.429 4.389 3.960 -0.000 0.000 0.259 72 G C 0.424 175.560 174.900 0.393 0.000 1.244 72 G CA -0.127 45.134 45.100 0.267 0.000 0.849 72 G HN 0.696 nan 8.290 nan 0.000 0.532 73 L N 2.272 123.695 121.223 0.334 0.000 2.201 73 L HA 0.030 4.370 4.340 -0.000 0.000 0.212 73 L C 2.322 179.267 176.870 0.125 0.000 1.105 73 L CA 1.825 56.756 54.840 0.151 0.000 0.775 73 L CB 0.106 42.124 42.059 -0.068 0.000 0.913 73 L HN 0.426 nan 8.230 nan 0.000 0.440 74 S N -0.297 115.486 115.700 0.138 0.000 2.540 74 S HA 0.585 5.055 4.470 -0.000 0.000 0.218 74 S C 0.544 175.241 174.600 0.163 0.000 0.977 74 S CA 0.281 58.558 58.200 0.128 0.000 0.918 74 S CB -0.077 63.184 63.200 0.101 0.000 0.806 74 S HN 0.768 nan 8.310 nan 0.000 0.496 75 G N 1.658 110.568 108.800 0.184 0.000 2.603 75 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.686 75 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.686 75 G C -1.439 173.568 174.900 0.179 0.000 1.286 75 G CA -1.083 44.124 45.100 0.179 0.000 0.871 75 G HN 0.096 nan 8.290 nan 0.000 0.568 76 E N 0.734 121.036 120.200 0.170 0.000 2.331 76 E HA 0.335 4.685 4.350 -0.000 0.000 0.272 76 E C -1.483 175.207 176.600 0.151 0.000 1.036 76 E CA -1.673 54.821 56.400 0.156 0.000 0.864 76 E CB 1.098 30.881 29.700 0.138 0.000 1.035 76 E HN 0.151 nan 8.360 nan 0.000 0.408 77 P HA -0.217 nan 4.420 nan 0.000 0.216 77 P C 0.748 178.080 177.300 0.054 0.000 1.153 77 P CA 1.631 64.774 63.100 0.071 0.000 0.858 77 P CB 0.319 32.052 31.700 0.056 0.000 0.789 78 E N -1.228 119.008 120.200 0.059 0.000 2.058 78 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 78 E C 1.902 178.522 176.600 0.034 0.000 0.997 78 E CA 1.120 57.540 56.400 0.033 0.000 0.801 78 E CB -1.251 28.467 29.700 0.029 0.000 0.746 78 E HN 0.215 nan 8.360 nan 0.000 0.450 79 F N 1.896 121.794 119.950 -0.086 0.000 2.102 79 F HA -0.186 4.341 4.527 0.000 0.000 0.298 79 F C 2.198 177.949 175.800 -0.082 0.000 1.105 79 F CA 1.781 59.709 58.000 -0.120 0.000 1.239 79 F CB -0.271 38.645 39.000 -0.140 0.000 0.991 79 F HN -0.078 nan 8.300 nan 0.000 0.474 80 Q N 0.165 119.922 119.800 -0.071 0.000 2.061 80 Q HA -0.273 4.067 4.340 -0.000 0.000 0.204 80 Q C 2.302 178.197 176.000 -0.174 0.000 0.984 80 Q CA 2.183 57.897 55.803 -0.147 0.000 0.846 80 Q CB -0.368 28.373 28.738 0.005 0.000 0.902 80 Q HN 0.447 nan 8.270 nan 0.000 0.421 81 K N 0.472 120.808 120.400 -0.105 0.000 2.001 81 K HA -0.125 4.195 4.320 -0.000 0.000 0.208 81 K C 2.148 178.677 176.600 -0.119 0.000 1.048 81 K CA 1.094 57.329 56.287 -0.086 0.000 0.932 81 K CB -0.208 32.266 32.500 -0.044 0.000 0.715 81 K HN 0.167 nan 8.250 nan 0.000 0.437 82 A N 1.324 124.059 122.820 -0.141 0.000 1.892 82 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 82 A C 2.171 179.643 177.584 -0.188 0.000 1.188 82 A CA 1.848 53.799 52.037 -0.142 0.000 0.631 82 A CB -0.517 18.396 19.000 -0.146 0.000 0.822 82 A HN 0.333 nan 8.150 nan 0.000 0.447 83 M N -0.678 118.716 119.600 -0.343 0.000 2.117 83 M HA -0.101 4.379 4.480 -0.000 0.000 0.262 83 M C 2.351 178.535 176.300 -0.195 0.000 1.065 83 M CA 1.508 56.597 55.300 -0.351 0.000 1.114 83 M CB -1.913 30.288 32.600 -0.665 0.000 1.361 83 M HN 0.493 nan 8.290 nan 0.000 0.408 84 G N -0.026 108.670 108.800 -0.174 0.000 2.442 84 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.219 84 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.219 84 G C 1.509 176.369 174.900 -0.067 0.000 1.141 84 G CA 0.730 45.769 45.100 -0.101 0.000 0.763 84 G HN 0.538 nan 8.290 nan 0.000 0.554 85 E N -0.341 119.821 120.200 -0.064 0.000 2.107 85 E HA -0.046 4.304 4.350 -0.000 0.000 0.191 85 E C 2.386 178.977 176.600 -0.015 0.000 0.982 85 E CA 0.549 56.929 56.400 -0.034 0.000 0.809 85 E CB -0.155 29.528 29.700 -0.028 0.000 0.756 85 E HN 0.349 nan 8.360 nan 0.000 0.459 86 L N 1.231 122.447 121.223 -0.012 0.000 2.046 86 L HA -0.166 4.173 4.340 -0.000 0.000 0.208 86 L C 1.949 178.836 176.870 0.028 0.000 1.077 86 L CA 1.638 56.501 54.840 0.039 0.000 0.747 86 L CB -0.176 41.925 42.059 0.070 0.000 0.896 86 L HN 0.082 nan 8.230 nan 0.000 0.432 87 I N -1.355 119.213 120.570 -0.003 0.000 2.206 87 I HA -0.221 3.949 4.170 -0.000 0.000 0.239 87 I C 2.006 178.109 176.117 -0.022 0.000 1.078 87 I CA 1.131 62.426 61.300 -0.008 0.000 1.367 87 I CB -0.186 37.802 38.000 -0.020 0.000 1.078 87 I HN 0.144 nan 8.210 nan 0.000 0.413 88 L N 0.159 121.365 121.223 -0.029 0.000 2.567 88 L HA 0.258 4.598 4.340 -0.000 0.000 0.225 88 L C 1.472 178.325 176.870 -0.028 0.000 1.119 88 L CA 0.265 55.085 54.840 -0.033 0.000 0.871 88 L CB -0.679 41.360 42.059 -0.032 0.000 1.036 88 L HN 0.489 nan 8.230 nan 0.000 0.459 89 G N 0.907 109.694 108.800 -0.020 0.000 2.596 89 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.295 89 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.295 89 G C 0.403 175.293 174.900 -0.017 0.000 1.240 89 G CA 0.394 45.484 45.100 -0.015 0.000 0.985 89 G HN 0.326 nan 8.290 nan 0.000 0.555 90 D N 2.203 122.593 120.400 -0.015 0.000 2.363 90 D HA 0.173 4.813 4.640 -0.000 0.000 0.226 90 D C 1.501 177.792 176.300 -0.015 0.000 1.020 90 D CA 1.044 55.036 54.000 -0.014 0.000 0.892 90 D CB -0.199 40.594 40.800 -0.011 0.000 0.900 90 D HN 0.612 nan 8.370 nan 0.000 0.531 96 K N 3.254 123.647 120.400 -0.012 0.000 2.244 96 K HA 0.393 4.713 4.320 -0.000 0.000 0.263 96 K C 1.009 177.605 176.600 -0.007 0.000 1.103 96 K CA -0.158 56.124 56.287 -0.008 0.000 0.966 96 K CB 0.992 33.489 32.500 -0.006 0.000 1.429 96 K HN 0.633 nan 8.250 nan 0.000 0.434 97 S N 2.122 117.818 115.700 -0.007 0.000 2.387 97 S HA -0.237 4.233 4.470 -0.000 0.000 0.230 97 S C 1.719 176.319 174.600 -0.001 0.000 1.035 97 S CA 1.795 59.992 58.200 -0.005 0.000 1.014 97 S CB -0.153 63.044 63.200 -0.005 0.000 0.836 97 S HN 0.774 nan 8.310 nan 0.000 0.466 98 E N 1.395 121.595 120.200 0.000 0.000 2.333 98 E HA -0.135 4.215 4.350 -0.000 0.000 0.198 98 E C 1.175 177.777 176.600 0.003 0.000 1.007 98 E CA 1.516 57.918 56.400 0.002 0.000 0.845 98 E CB -0.506 29.195 29.700 0.002 0.000 0.766 98 E HN 0.640 nan 8.360 nan 0.000 0.507 99 T N -2.541 112.014 114.554 0.002 0.000 3.145 99 T HA 0.187 4.537 4.350 -0.000 0.000 0.281 99 T C 0.090 174.793 174.700 0.004 0.000 1.003 99 T CA -0.499 61.603 62.100 0.003 0.000 0.901 99 T CB 0.672 69.541 68.868 0.003 0.000 1.112 99 T HN -0.076 nan 8.240 nan 0.000 0.535 100 T N 2.573 117.128 114.554 0.003 0.000 2.792 100 T HA 0.752 5.102 4.350 -0.000 0.000 0.280 100 T C -0.347 174.357 174.700 0.007 0.000 0.990 100 T CA -0.567 61.535 62.100 0.003 0.000 0.960 100 T CB 1.504 70.369 68.868 -0.005 0.000 0.939 100 T HN 0.461 nan 8.240 nan 0.000 0.439 101 A N 3.064 125.892 122.820 0.013 0.000 2.305 101 A HA 0.779 5.099 4.320 -0.000 0.000 0.322 101 A C 0.117 177.714 177.584 0.023 0.000 1.187 101 A CA -0.640 51.409 52.037 0.021 0.000 0.825 101 A CB 0.651 19.667 19.000 0.026 0.000 1.164 101 A HN 0.716 nan 8.150 nan 0.000 0.498 102 T N 2.748 117.320 114.554 0.030 0.000 2.861 102 T HA 0.603 4.953 4.350 -0.000 0.000 0.287 102 T C -0.936 173.805 174.700 0.068 0.000 1.003 102 T CA -0.391 61.730 62.100 0.034 0.000 0.977 102 T CB 1.177 70.052 68.868 0.011 0.000 0.996 102 T HN 0.544 nan 8.240 nan 0.000 0.448 103 L N 2.515 123.791 121.223 0.089 0.000 2.441 103 L HA 0.690 5.030 4.340 -0.000 0.000 0.270 103 L C -0.282 176.693 176.870 0.174 0.000 0.973 103 L CA -0.902 54.011 54.840 0.121 0.000 0.842 103 L CB 1.328 43.447 42.059 0.101 0.000 1.239 103 L HN 0.865 nan 8.230 nan 0.000 0.406 104 A N 3.186 126.138 122.820 0.221 0.000 2.440 104 A HA 0.606 4.925 4.320 -0.000 0.000 0.251 104 A C 0.296 177.984 177.584 0.174 0.000 1.089 104 A CA 0.136 52.327 52.037 0.257 0.000 0.779 104 A CB 0.388 19.480 19.000 0.154 0.000 1.022 104 A HN 0.751 nan 8.150 nan 0.000 0.492 105 T N -1.735 112.905 114.554 0.143 0.000 2.864 105 T HA 0.534 4.884 4.350 -0.000 0.000 0.289 105 T C -0.468 174.247 174.700 0.025 0.000 1.082 105 T CA -0.675 61.504 62.100 0.131 0.000 1.009 105 T CB 1.015 69.972 68.868 0.150 0.000 1.234 105 T HN 0.552 nan 8.240 nan 0.000 0.526 106 V N 2.195 122.103 119.914 -0.010 0.000 2.223 106 V HA 0.558 4.678 4.120 -0.000 0.000 0.249 106 V C 1.371 177.460 176.094 -0.008 0.000 1.233 106 V CA 0.689 62.936 62.300 -0.089 0.000 1.131 106 V CB -1.116 30.586 31.823 -0.202 0.000 1.298 106 V HN 1.490 nan 8.190 nan 0.000 0.498 107 G N 3.953 112.752 108.800 -0.001 0.000 2.855 107 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.352 107 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.352 107 G C 0.817 175.748 174.900 0.051 0.000 1.415 107 G CA -0.198 44.917 45.100 0.024 0.000 0.871 107 G HN 0.954 nan 8.290 nan 0.000 0.543 108 G N -1.560 107.264 108.800 0.039 0.000 2.422 108 G HA2 0.093 4.053 3.960 -0.000 0.000 0.218 108 G HA3 0.093 4.053 3.960 -0.000 0.000 0.218 108 G C 1.845 176.798 174.900 0.088 0.000 1.140 108 G CA 2.302 47.425 45.100 0.037 0.000 0.775 108 G HN 1.220 nan 8.290 nan 0.000 0.545 109 T N 1.029 115.661 114.554 0.129 0.000 2.746 109 T HA -0.051 4.299 4.350 -0.000 0.000 0.267 109 T C 2.504 177.295 174.700 0.152 0.000 1.039 109 T CA 1.389 63.609 62.100 0.199 0.000 1.142 109 T CB -0.504 68.498 68.868 0.223 0.000 0.866 109 T HN 0.339 nan 8.240 nan 0.000 0.444 110 G N 1.026 109.899 108.800 0.122 0.000 2.422 110 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.218 110 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.218 110 G C 1.803 176.788 174.900 0.141 0.000 1.146 110 G CA 0.862 46.042 45.100 0.134 0.000 0.769 110 G HN 0.582 nan 8.290 nan 0.000 0.547 111 A N 0.519 123.413 122.820 0.124 0.000 1.898 111 A HA 0.122 4.441 4.320 -0.000 0.000 0.216 111 A C 2.427 180.082 177.584 0.119 0.000 1.181 111 A CA 1.183 53.289 52.037 0.116 0.000 0.620 111 A CB -0.341 18.717 19.000 0.097 0.000 0.819 111 A HN 0.358 nan 8.150 nan 0.000 0.442 112 L N -1.202 120.103 121.223 0.138 0.000 2.005 112 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 112 L C 2.754 179.711 176.870 0.145 0.000 1.072 112 L CA 1.768 56.702 54.840 0.158 0.000 0.744 112 L CB -0.500 41.698 42.059 0.232 0.000 0.895 112 L HN 0.390 nan 8.230 nan 0.000 0.433 113 R N 0.421 121.009 120.500 0.146 0.000 2.096 113 R HA -0.233 4.107 4.340 -0.000 0.000 0.240 113 R C 2.248 178.617 176.300 0.115 0.000 1.139 113 R CA 1.726 57.907 56.100 0.134 0.000 0.952 113 R CB -0.536 29.843 30.300 0.133 0.000 0.854 113 R HN 0.180 nan 8.270 nan 0.000 0.436 114 Q N -0.457 119.410 119.800 0.112 0.000 2.170 114 Q HA 0.068 4.408 4.340 -0.000 0.000 0.203 114 Q C 1.864 177.915 176.000 0.085 0.000 0.976 114 Q CA 1.877 57.735 55.803 0.091 0.000 0.858 114 Q CB -0.322 28.475 28.738 0.098 0.000 0.907 114 Q HN 0.493 nan 8.270 nan 0.000 0.433 115 A N -0.357 122.518 122.820 0.092 0.000 1.898 115 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 115 A C 1.960 179.591 177.584 0.079 0.000 1.181 115 A CA 1.101 53.188 52.037 0.082 0.000 0.620 115 A CB -0.589 18.462 19.000 0.086 0.000 0.819 115 A HN 0.394 nan 8.150 nan 0.000 0.442 116 L N -0.595 120.681 121.223 0.087 0.000 2.093 116 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 116 L C 2.582 179.495 176.870 0.071 0.000 1.085 116 L CA 1.052 55.941 54.840 0.081 0.000 0.755 116 L CB -0.501 41.615 42.059 0.094 0.000 0.904 116 L HN 0.350 nan 8.230 nan 0.000 0.435 117 E N 0.107 120.351 120.200 0.073 0.000 2.072 117 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 117 E C 2.165 178.803 176.600 0.063 0.000 0.985 117 E CA 1.003 57.443 56.400 0.065 0.000 0.801 117 E CB -0.267 29.471 29.700 0.064 0.000 0.750 117 E HN 0.278 nan 8.360 nan 0.000 0.452 118 L N 1.168 122.430 121.223 0.064 0.000 2.017 118 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 118 L C 2.272 179.171 176.870 0.049 0.000 1.073 118 L CA 2.140 57.016 54.840 0.059 0.000 0.745 118 L CB -0.745 41.349 42.059 0.059 0.000 0.894 118 L HN 0.041 nan 8.230 nan 0.000 0.432 119 A N -0.535 122.316 122.820 0.052 0.000 1.877 119 A HA -0.260 4.060 4.320 -0.000 0.000 0.216 119 A C 2.548 180.157 177.584 0.042 0.000 1.186 119 A CA 1.866 53.932 52.037 0.048 0.000 0.620 119 A CB -0.689 18.344 19.000 0.056 0.000 0.822 119 A HN 0.500 nan 8.150 nan 0.000 0.443 120 R N -1.040 119.485 120.500 0.042 0.000 2.120 120 R HA -0.044 4.296 4.340 -0.000 0.000 0.234 120 R C 2.110 178.426 176.300 0.027 0.000 1.123 120 R CA 1.548 57.668 56.100 0.033 0.000 0.975 120 R CB -0.282 30.037 30.300 0.031 0.000 0.866 120 R HN 0.570 nan 8.270 nan 0.000 0.446 121 M N -0.544 119.074 119.600 0.031 0.000 2.132 121 M HA -0.095 4.385 4.480 -0.000 0.000 0.263 121 M C 2.259 178.566 176.300 0.011 0.000 1.065 121 M CA 1.804 57.117 55.300 0.022 0.000 1.122 121 M CB -0.032 32.586 32.600 0.030 0.000 1.365 121 M HN 0.284 nan 8.290 nan 0.000 0.411 122 A N -0.356 122.473 122.820 0.016 0.000 2.072 122 A HA -0.017 4.303 4.320 -0.000 0.000 0.216 122 A C 0.791 178.384 177.584 0.015 0.000 1.156 122 A CA 0.986 53.030 52.037 0.012 0.000 0.701 122 A CB -0.159 18.852 19.000 0.017 0.000 0.816 122 A HN 0.492 nan 8.150 nan 0.000 0.458 123 N N -1.301 117.411 118.700 0.020 0.000 2.685 123 N HA 0.301 5.041 4.740 -0.000 0.000 0.252 123 N C -2.789 172.733 175.510 0.020 0.000 1.261 123 N CA -1.677 51.386 53.050 0.021 0.000 0.768 123 N CB 1.259 39.764 38.487 0.030 0.000 1.304 123 N HN -0.214 nan 8.380 nan 0.000 0.536 124 P HA -0.035 nan 4.420 nan 0.000 0.221 124 P C -0.213 177.093 177.300 0.010 0.000 1.145 124 P CA 1.170 64.275 63.100 0.010 0.000 0.795 124 P CB 0.301 32.004 31.700 0.004 0.000 0.775 125 D N -0.741 119.667 120.400 0.014 0.000 2.427 125 D HA 0.053 4.693 4.640 -0.000 0.000 0.224 125 D C 0.839 177.153 176.300 0.024 0.000 1.157 125 D CA -0.064 53.945 54.000 0.015 0.000 0.828 125 D CB 0.054 40.863 40.800 0.015 0.000 0.974 125 D HN 0.101 nan 8.370 nan 0.000 0.498 134 F N 4.263 124.279 119.950 0.111 0.000 2.411 134 F HA 0.729 5.256 4.527 -0.000 0.000 0.350 134 F C 0.429 176.347 175.800 0.196 0.000 1.114 134 F CA -0.507 57.604 58.000 0.184 0.000 1.135 134 F CB 1.839 41.002 39.000 0.273 0.000 1.120 134 F HN 0.450 nan 8.300 nan 0.000 0.495 135 V N 0.300 120.310 119.914 0.161 0.000 2.864 135 V HA 0.742 4.862 4.120 -0.000 0.000 0.314 135 V C -0.140 175.633 176.094 -0.535 0.000 1.073 135 V CA -1.153 61.117 62.300 -0.050 0.000 0.956 135 V CB 1.370 33.172 31.823 -0.036 0.000 1.023 135 V HN 0.732 nan 8.190 nan 0.000 0.435 136 S N 1.114 116.401 115.700 -0.688 0.000 2.572 136 S HA 0.307 4.777 4.470 -0.000 0.000 0.279 136 S C -0.263 174.145 174.600 -0.320 0.000 1.341 136 S CA -0.032 57.616 58.200 -0.920 0.000 1.043 136 S CB 0.784 63.685 63.200 -0.498 0.000 0.887 136 S HN 1.133 nan 8.310 nan 0.000 0.516 137 D N 2.802 123.096 120.400 -0.177 0.000 2.443 137 D HA 0.480 5.120 4.640 -0.000 0.000 0.221 137 D C -1.992 174.389 176.300 0.135 0.000 1.097 137 D CA -1.873 52.131 54.000 0.006 0.000 0.865 137 D CB 1.023 41.845 40.800 0.036 0.000 1.034 137 D HN 0.353 nan 8.370 nan 0.000 0.511 138 P HA 0.389 nan 4.420 nan 0.000 0.310 138 P C -0.584 176.768 177.300 0.088 0.000 1.309 138 P CA -0.489 62.647 63.100 0.060 0.000 0.769 138 P CB 1.791 33.507 31.700 0.027 0.000 1.327 139 T N -2.461 112.147 114.554 0.090 0.000 2.762 139 T HA 0.312 4.662 4.350 -0.000 0.000 0.301 139 T C -1.902 172.934 174.700 0.226 0.000 1.299 139 T CA -0.462 61.749 62.100 0.185 0.000 1.005 139 T CB 0.139 69.192 68.868 0.308 0.000 1.377 139 T HN 0.315 nan 8.240 nan 0.000 0.504 140 W N 3.958 125.324 121.300 0.109 0.000 2.505 140 W HA 0.279 4.939 4.660 -0.000 0.000 0.332 140 W C -2.068 174.402 176.519 -0.082 0.000 1.434 140 W CA -1.400 55.884 57.345 -0.101 0.000 1.320 140 W CB 0.294 29.548 29.460 -0.345 0.000 1.363 140 W HN 0.585 nan 8.180 nan 0.000 0.565 141 P HA -0.274 nan 4.420 nan 0.000 0.217 141 P C 0.967 178.040 177.300 -0.377 0.000 1.151 141 P CA 2.284 65.229 63.100 -0.257 0.000 0.849 141 P CB 0.297 31.832 31.700 -0.275 0.000 0.787 142 N N -2.111 116.089 118.700 -0.833 0.000 2.443 142 N HA -0.150 4.590 4.740 -0.000 0.000 0.184 142 N C 1.454 176.753 175.510 -0.350 0.000 1.037 142 N CA 0.893 53.453 53.050 -0.816 0.000 0.896 142 N CB -0.816 36.688 38.487 -1.638 0.000 0.959 142 N HN 0.440 nan 8.380 nan 0.000 0.442 143 H N -0.785 118.219 119.070 -0.110 0.000 2.299 143 H HA 0.015 4.571 4.556 -0.000 0.000 0.302 143 H C 1.733 177.068 175.328 0.012 0.000 1.078 143 H CA 1.211 57.298 56.048 0.065 0.000 1.323 143 H CB 0.192 30.038 29.762 0.141 0.000 1.381 143 H HN -0.014 nan 8.280 nan 0.000 0.498 144 V N 0.708 120.692 119.914 0.116 0.000 2.453 144 V HA -0.239 3.881 4.120 -0.000 0.000 0.247 144 V C 2.467 178.575 176.094 0.023 0.000 1.048 144 V CA 1.688 64.019 62.300 0.053 0.000 1.049 144 V CB -0.416 31.421 31.823 0.024 0.000 0.672 144 V HN 0.562 nan 8.190 nan 0.000 0.457 145 S N 0.691 116.375 115.700 -0.027 0.000 2.356 145 S HA -0.176 4.294 4.470 -0.000 0.000 0.223 145 S C 1.964 176.585 174.600 0.036 0.000 1.032 145 S CA 1.711 59.895 58.200 -0.028 0.000 1.005 145 S CB -0.672 62.463 63.200 -0.109 0.000 0.867 145 S HN 0.539 nan 8.310 nan 0.000 0.449 146 I N 1.312 121.902 120.570 0.034 0.000 2.179 146 I HA -0.180 3.990 4.170 -0.000 0.000 0.242 146 I C 2.822 179.041 176.117 0.171 0.000 1.088 146 I CA 1.568 62.933 61.300 0.109 0.000 1.357 146 I CB -0.443 37.614 38.000 0.096 0.000 1.051 146 I HN 0.275 nan 8.210 nan 0.000 0.409 147 M N 0.354 120.026 119.600 0.119 0.000 2.117 147 M HA -0.202 4.278 4.480 -0.000 0.000 0.262 147 M C 2.065 178.412 176.300 0.078 0.000 1.065 147 M CA 1.713 57.069 55.300 0.093 0.000 1.114 147 M CB -0.484 32.156 32.600 0.067 0.000 1.361 147 M HN 0.254 nan 8.290 nan 0.000 0.408 148 N N 0.225 118.973 118.700 0.081 0.000 2.084 148 N HA -0.163 4.577 4.740 -0.000 0.000 0.190 148 N C 1.565 177.131 175.510 0.092 0.000 1.030 148 N CA 1.341 54.429 53.050 0.065 0.000 0.849 148 N CB -0.621 37.900 38.487 0.057 0.000 1.012 148 N HN 0.270 nan 8.380 nan 0.000 0.423 149 F N 1.705 121.651 119.950 -0.008 0.000 2.091 149 F HA -0.105 4.422 4.527 -0.000 0.000 0.299 149 F C 2.262 178.062 175.800 0.001 0.000 1.103 149 F CA 1.438 59.434 58.000 -0.005 0.000 1.228 149 F CB -0.321 38.675 39.000 -0.006 0.000 0.984 149 F HN -0.040 nan 8.300 nan 0.000 0.477 150 M N -0.383 119.206 119.600 -0.019 0.000 2.394 150 M HA 0.085 4.565 4.480 -0.000 0.000 0.264 150 M C 1.433 177.663 176.300 -0.116 0.000 1.073 150 M CA 1.236 56.465 55.300 -0.119 0.000 1.111 150 M CB -0.572 32.046 32.600 0.031 0.000 1.401 150 M HN 0.410 nan 8.290 nan 0.000 0.448 151 G N 1.079 109.837 108.800 -0.070 0.000 2.171 151 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.238 151 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.238 151 G C -0.344 174.538 174.900 -0.030 0.000 1.039 151 G CA -0.453 44.613 45.100 -0.056 0.000 0.759 151 G HN 0.218 nan 8.290 nan 0.000 0.501 155 V N 3.148 123.010 119.914 -0.087 0.000 2.384 155 V HA 0.499 4.619 4.120 -0.000 0.000 0.287 155 V C -0.229 175.761 176.094 -0.172 0.000 1.020 155 V CA -0.540 61.693 62.300 -0.112 0.000 0.850 155 V CB 1.665 33.456 31.823 -0.053 0.000 0.987 155 V HN 0.463 nan 8.190 nan 0.000 0.436 156 Q N 2.466 122.077 119.800 -0.316 0.000 2.257 156 Q HA 0.662 5.002 4.340 -0.000 0.000 0.262 156 Q C -0.115 175.779 176.000 -0.178 0.000 0.997 156 Q CA -0.580 55.002 55.803 -0.367 0.000 0.873 156 Q CB 2.400 30.586 28.738 -0.920 0.000 1.312 156 Q HN 0.872 nan 8.270 nan 0.000 0.450 157 T N -1.556 112.975 114.554 -0.038 0.000 2.887 157 T HA 0.675 5.025 4.350 -0.000 0.000 0.288 157 T C -0.675 174.130 174.700 0.176 0.000 1.021 157 T CA -0.742 61.368 62.100 0.017 0.000 1.000 157 T CB 0.712 69.566 68.868 -0.023 0.000 1.034 157 T HN 0.476 nan 8.240 nan 0.000 0.467 158 Y N -0.164 120.263 120.300 0.211 0.000 2.429 158 Y HA 0.741 5.291 4.550 -0.000 0.000 0.342 158 Y C 0.173 176.177 175.900 0.174 0.000 1.004 158 Y CA -1.757 56.464 58.100 0.202 0.000 1.075 158 Y CB 1.082 39.667 38.460 0.208 0.000 1.214 158 Y HN 0.654 nan 8.280 nan 0.000 0.455 159 R N 2.018 122.710 120.500 0.319 0.000 2.570 159 R HA 0.068 4.408 4.340 -0.000 0.000 0.277 159 R C -0.840 175.683 176.300 0.371 0.000 1.039 159 R CA 0.598 56.839 56.100 0.235 0.000 1.065 159 R CB 0.234 30.616 30.300 0.136 0.000 0.964 159 R HN 0.979 nan 8.270 nan 0.000 0.428 160 Y N 2.387 122.773 120.300 0.143 0.000 3.147 160 Y HA 0.185 4.735 4.550 -0.000 0.000 0.219 160 Y C -0.573 175.393 175.900 0.110 0.000 1.021 160 Y CA -0.366 57.822 58.100 0.147 0.000 1.440 160 Y CB 0.319 38.843 38.460 0.107 0.000 1.472 160 Y HN 0.475 nan 8.280 nan 0.000 0.408 161 F N 3.232 123.212 119.950 0.050 0.000 2.396 161 F HA 0.305 4.832 4.527 -0.000 0.000 0.343 161 F C -0.132 175.634 175.800 -0.058 0.000 1.104 161 F CA -0.753 57.214 58.000 -0.054 0.000 1.161 161 F CB 0.556 39.572 39.000 0.027 0.000 1.146 161 F HN 0.068 nan 8.300 nan 0.000 0.522 162 D N 5.016 124.969 120.400 -0.745 0.000 2.454 162 D HA 0.290 4.930 4.640 -0.000 0.000 0.225 162 D C 0.747 176.553 176.300 -0.823 0.000 1.081 162 D CA 0.048 53.712 54.000 -0.561 0.000 0.864 162 D CB 1.569 42.130 40.800 -0.398 0.000 1.040 162 D HN 0.738 nan 8.370 nan 0.000 0.517 163 A N 4.025 126.559 122.820 -0.478 0.000 1.986 163 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 163 A C 1.870 179.289 177.584 -0.277 0.000 1.171 163 A CA 1.557 53.419 52.037 -0.291 0.000 0.640 163 A CB -0.273 18.698 19.000 -0.048 0.000 0.811 163 A HN 0.726 nan 8.150 nan 0.000 0.451 164 E N -0.251 119.799 120.200 -0.250 0.000 2.008 164 E HA -0.167 4.183 4.350 -0.000 0.000 0.191 164 E C 2.007 178.470 176.600 -0.228 0.000 0.986 164 E CA 1.905 58.190 56.400 -0.193 0.000 0.807 164 E CB -0.282 29.332 29.700 -0.142 0.000 0.766 164 E HN 0.635 nan 8.360 nan 0.000 0.450 165 T N -2.081 112.323 114.554 -0.251 0.000 3.085 165 T HA 0.094 4.444 4.350 -0.000 0.000 0.263 165 T C 0.917 175.454 174.700 -0.272 0.000 1.127 165 T CA 0.569 62.540 62.100 -0.214 0.000 1.103 165 T CB -0.070 68.697 68.868 -0.169 0.000 0.921 165 T HN 0.223 nan 8.240 nan 0.000 0.510 166 R N 0.034 120.249 120.500 -0.474 0.000 4.000 166 R HA -0.109 4.231 4.340 -0.000 0.000 0.362 166 R C 0.730 176.916 176.300 -0.190 0.000 1.183 166 R CA 0.895 56.699 56.100 -0.493 0.000 1.011 166 R CB -1.949 28.020 30.300 -0.552 0.000 1.501 166 R HN 0.747 nan 8.270 nan 0.000 0.553 167 G N -1.627 106.993 108.800 -0.301 0.000 2.890 167 G HA2 0.597 4.557 3.960 -0.000 0.000 0.189 167 G HA3 0.597 4.557 3.960 -0.000 0.000 0.189 167 G C -0.752 173.993 174.900 -0.258 0.000 1.342 167 G CA -0.175 44.854 45.100 -0.119 0.000 1.026 167 G HN 0.049 nan 8.290 nan 0.000 0.579 168 V N 0.648 120.425 119.914 -0.228 0.000 2.481 168 V HA 0.268 4.388 4.120 -0.000 0.000 0.286 168 V C -0.555 175.411 176.094 -0.214 0.000 1.042 168 V CA -0.344 61.748 62.300 -0.345 0.000 0.928 168 V CB 1.623 33.181 31.823 -0.441 0.000 0.986 168 V HN 0.705 nan 8.190 nan 0.000 0.462 169 D N 2.998 123.282 120.400 -0.194 0.000 2.631 169 D HA 0.119 4.759 4.640 -0.000 0.000 0.227 169 D C 0.751 177.043 176.300 -0.015 0.000 1.146 169 D CA -0.283 53.663 54.000 -0.090 0.000 1.009 169 D CB -0.017 40.736 40.800 -0.078 0.000 1.057 169 D HN 0.382 nan 8.370 nan 0.000 0.509 170 F N 1.713 121.569 119.950 -0.156 0.000 2.171 170 F HA -0.090 4.437 4.527 -0.000 0.000 0.300 170 F C 1.856 177.608 175.800 -0.080 0.000 1.090 170 F CA 1.250 59.173 58.000 -0.128 0.000 1.293 170 F CB 0.138 39.060 39.000 -0.130 0.000 1.013 170 F HN 0.264 nan 8.300 nan 0.000 0.486 171 E N -0.277 119.864 120.200 -0.100 0.000 2.077 171 E HA -0.090 4.260 4.350 -0.000 0.000 0.193 171 E C 2.515 179.020 176.600 -0.157 0.000 0.989 171 E CA 1.361 57.668 56.400 -0.154 0.000 0.800 171 E CB -0.985 28.677 29.700 -0.064 0.000 0.746 171 E HN 0.425 nan 8.360 nan 0.000 0.452 172 G N 0.258 109.003 108.800 -0.092 0.000 2.408 172 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.217 172 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.217 172 G C 1.602 176.476 174.900 -0.043 0.000 1.150 172 G CA 0.822 45.894 45.100 -0.046 0.000 0.776 172 G HN 0.257 nan 8.290 nan 0.000 0.542 173 M N 0.243 119.803 119.600 -0.067 0.000 2.086 173 M HA -0.010 4.470 4.480 -0.000 0.000 0.261 173 M C 2.507 178.666 176.300 -0.236 0.000 1.067 173 M CA 1.605 56.873 55.300 -0.053 0.000 1.116 173 M CB -0.143 32.449 32.600 -0.014 0.000 1.348 173 M HN 0.082 nan 8.290 nan 0.000 0.407 174 K N 0.209 120.358 120.400 -0.418 0.000 2.057 174 K HA -0.127 4.193 4.320 -0.000 0.000 0.207 174 K C 2.041 178.502 176.600 -0.231 0.000 1.049 174 K CA 1.420 57.461 56.287 -0.410 0.000 0.931 174 K CB -0.323 31.863 32.500 -0.522 0.000 0.714 174 K HN 0.483 nan 8.250 nan 0.000 0.440 175 A N 2.193 124.913 122.820 -0.166 0.000 1.858 175 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 175 A C 1.686 179.236 177.584 -0.056 0.000 1.190 175 A CA 1.983 53.964 52.037 -0.092 0.000 0.617 175 A CB -0.506 18.458 19.000 -0.059 0.000 0.827 175 A HN 0.183 nan 8.150 nan 0.000 0.443 176 D N 0.112 120.501 120.400 -0.017 0.000 2.144 176 D HA -0.105 4.535 4.640 -0.000 0.000 0.199 176 D C 1.914 178.195 176.300 -0.032 0.000 0.984 176 D CA 0.972 55.008 54.000 0.059 0.000 0.834 176 D CB -0.384 40.526 40.800 0.182 0.000 0.955 176 D HN 0.448 nan 8.370 nan 0.000 0.465 177 L N 0.547 121.671 121.223 -0.165 0.000 2.141 177 L HA -0.057 4.283 4.340 -0.000 0.000 0.209 177 L C 2.389 179.087 176.870 -0.288 0.000 1.094 177 L CA 0.797 55.433 54.840 -0.339 0.000 0.763 177 L CB -0.369 41.467 42.059 -0.371 0.000 0.908 177 L HN -0.025 nan 8.230 nan 0.000 0.437 178 A N 0.016 122.728 122.820 -0.181 0.000 2.125 178 A HA -0.048 4.272 4.320 -0.000 0.000 0.219 178 A C 2.334 179.860 177.584 -0.096 0.000 1.156 178 A CA 1.408 53.367 52.037 -0.129 0.000 0.671 178 A CB -0.422 18.520 19.000 -0.097 0.000 0.794 178 A HN 0.388 nan 8.150 nan 0.000 0.459 179 A N -0.672 122.100 122.820 -0.079 0.000 2.208 179 A HA 0.585 4.905 4.320 -0.000 0.000 0.209 179 A C 1.355 178.944 177.584 0.009 0.000 1.161 179 A CA 0.670 52.706 52.037 -0.001 0.000 0.782 179 A CB -0.684 18.362 19.000 0.076 0.000 0.816 179 A HN 0.866 nan 8.150 nan 0.000 0.477 180 A N 0.959 123.671 122.820 -0.179 0.000 2.406 180 A HA 0.500 4.820 4.320 -0.000 0.000 0.243 180 A C 0.447 178.009 177.584 -0.037 0.000 1.082 180 A CA -0.182 51.727 52.037 -0.212 0.000 0.786 180 A CB 0.242 18.848 19.000 -0.657 0.000 1.029 180 A HN 0.433 nan 8.150 nan 0.000 0.495 181 K N 0.793 121.226 120.400 0.055 0.000 2.352 181 K HA 0.408 4.728 4.320 -0.000 0.000 0.240 181 K C -0.682 175.942 176.600 0.041 0.000 1.017 181 K CA -0.877 55.438 56.287 0.046 0.000 0.851 181 K CB 0.896 33.438 32.500 0.069 0.000 1.261 181 K HN 0.795 nan 8.250 nan 0.000 0.451 182 K N -0.538 119.879 120.400 0.029 0.000 2.448 182 K HA 0.242 4.562 4.320 -0.000 0.000 0.278 182 K C 0.593 177.219 176.600 0.043 0.000 1.009 182 K CA 0.720 57.023 56.287 0.027 0.000 0.995 182 K CB -0.024 32.487 32.500 0.019 0.000 0.917 182 K HN 0.868 nan 8.250 nan 0.000 0.481 183 G N 1.886 110.713 108.800 0.046 0.000 2.254 183 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.225 183 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.225 183 G C -0.441 174.506 174.900 0.078 0.000 1.003 183 G CA 0.194 45.326 45.100 0.053 0.000 0.622 183 G HN 0.725 nan 8.290 nan 0.000 0.507 184 D N 0.398 120.862 120.400 0.106 0.000 2.358 184 D HA 0.567 5.207 4.640 -0.000 0.000 0.244 184 D C 0.596 176.989 176.300 0.155 0.000 1.163 184 D CA 0.140 54.245 54.000 0.176 0.000 0.945 184 D CB 0.965 41.948 40.800 0.305 0.000 1.152 184 D HN 0.395 nan 8.370 nan 0.000 0.451 185 M N 1.024 120.748 119.600 0.207 0.000 2.383 185 M HA 0.425 4.905 4.480 -0.000 0.000 0.325 185 M C -1.790 174.654 176.300 0.240 0.000 1.092 185 M CA -0.764 54.637 55.300 0.168 0.000 0.961 185 M CB 1.582 34.260 32.600 0.130 0.000 1.672 185 M HN -0.013 nan 8.290 nan 0.000 0.438 186 V N 5.609 125.622 119.914 0.165 0.000 2.357 186 V HA 0.377 4.497 4.120 -0.000 0.000 0.284 186 V C -0.743 175.459 176.094 0.180 0.000 1.018 186 V CA -0.831 61.582 62.300 0.189 0.000 0.841 186 V CB 1.397 33.236 31.823 0.027 0.000 0.991 186 V HN 0.751 nan 8.190 nan 0.000 0.437 187 L N 7.159 128.518 121.223 0.228 0.000 2.260 187 L HA 0.531 4.871 4.340 -0.000 0.000 0.289 187 L C -0.724 176.275 176.870 0.215 0.000 1.057 187 L CA 0.349 55.263 54.840 0.123 0.000 0.811 187 L CB 0.563 42.598 42.059 -0.039 0.000 1.184 187 L HN 0.370 nan 8.230 nan 0.000 0.429 188 L N 4.981 126.319 121.223 0.192 0.000 2.354 188 L HA 0.461 4.801 4.340 -0.000 0.000 0.269 188 L C -0.074 176.963 176.870 0.279 0.000 1.005 188 L CA -0.486 54.541 54.840 0.312 0.000 0.819 188 L CB 1.696 43.981 42.059 0.376 0.000 1.311 188 L HN 0.576 nan 8.230 nan 0.000 0.423 189 H N 1.407 120.633 119.070 0.260 0.000 2.562 189 H HA 0.153 4.709 4.556 -0.000 0.000 0.314 189 H C 0.902 176.472 175.328 0.403 0.000 1.079 189 H CA 0.084 56.286 56.048 0.256 0.000 1.349 189 H CB 1.787 31.663 29.762 0.190 0.000 1.432 189 H HN 0.876 nan 8.280 nan 0.000 0.479 190 G N 2.868 111.917 108.800 0.415 0.000 2.442 190 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.219 190 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.219 190 G C 0.590 175.756 174.900 0.443 0.000 1.141 190 G CA 1.172 46.495 45.100 0.371 0.000 0.763 190 G HN 0.777 nan 8.290 nan 0.000 0.554 191 C N -5.190 114.350 119.300 0.400 0.000 3.259 191 C HA 0.468 4.928 4.460 -0.000 0.000 0.344 191 C C 0.373 175.556 174.990 0.321 0.000 1.401 191 C CA -1.046 58.188 59.018 0.360 0.000 1.219 191 C CB 0.559 28.459 27.740 0.267 0.000 1.521 191 C HN 0.928 nan 8.230 nan 0.000 0.455 192 C N 1.896 121.345 119.300 0.248 0.000 3.349 192 C HA -0.125 4.335 4.460 -0.000 0.000 0.275 192 C C 0.571 175.651 174.990 0.151 0.000 1.322 192 C CA 1.109 60.210 59.018 0.138 0.000 2.261 192 C CB -3.328 24.430 27.740 0.030 0.000 1.446 192 C HN 1.238 nan 8.230 nan 0.000 0.533 193 H N 2.088 121.211 119.070 0.088 0.000 3.187 193 H HA 0.039 4.595 4.556 -0.000 0.000 0.286 193 H C 0.551 175.842 175.328 -0.062 0.000 0.944 193 H CA 1.108 57.126 56.048 -0.050 0.000 1.429 193 H CB 0.445 30.148 29.762 -0.099 0.000 1.483 193 H HN 0.705 nan 8.280 nan 0.000 0.555 194 N N 7.121 125.596 118.700 -0.375 0.000 2.426 194 N HA 0.117 4.857 4.740 -0.000 0.000 0.275 194 N C -1.982 173.260 175.510 -0.446 0.000 1.019 194 N CA -2.209 50.704 53.050 -0.228 0.000 0.941 194 N CB 1.512 39.953 38.487 -0.077 0.000 1.123 194 N HN 0.401 nan 8.380 nan 0.000 0.486 195 P HA 0.078 nan 4.420 nan 0.000 0.267 195 P C 0.797 178.027 177.300 -0.116 0.000 1.289 195 P CA 0.381 63.336 63.100 -0.243 0.000 0.866 195 P CB 0.288 31.848 31.700 -0.234 0.000 1.309 196 T N -3.803 110.723 114.554 -0.047 0.000 2.857 196 T HA 0.125 4.475 4.350 -0.000 0.000 0.266 196 T C 1.783 176.305 174.700 -0.296 0.000 1.048 196 T CA 1.542 63.470 62.100 -0.286 0.000 1.139 196 T CB -1.303 67.235 68.868 -0.550 0.000 0.874 196 T HN 0.184 nan 8.240 nan 0.000 0.455 197 G N 1.400 110.149 108.800 -0.084 0.000 2.176 197 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.253 197 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.253 197 G C 0.220 175.006 174.900 -0.190 0.000 0.979 197 G CA 0.030 45.050 45.100 -0.134 0.000 0.641 197 G HN 1.282 nan 8.290 nan 0.000 0.530 198 A N 0.290 123.029 122.820 -0.136 0.000 2.320 198 A HA 0.694 5.014 4.320 -0.000 0.000 0.287 198 A C 0.184 177.854 177.584 0.143 0.000 1.181 198 A CA -0.282 51.791 52.037 0.060 0.000 0.831 198 A CB 0.404 19.500 19.000 0.160 0.000 1.102 198 A HN 0.344 nan 8.150 nan 0.000 0.513 199 N N 1.578 120.361 118.700 0.137 0.000 2.328 199 N HA 0.480 5.220 4.740 -0.000 0.000 0.299 199 N C -0.963 174.568 175.510 0.036 0.000 1.179 199 N CA -0.540 52.607 53.050 0.162 0.000 0.793 199 N CB 1.604 40.217 38.487 0.209 0.000 1.366 199 N HN 0.556 nan 8.380 nan 0.000 0.493 200 L N 0.895 122.106 121.223 -0.019 0.000 2.395 200 L HA 0.287 4.627 4.340 -0.000 0.000 0.269 200 L C 1.375 178.202 176.870 -0.071 0.000 1.133 200 L CA -0.417 54.267 54.840 -0.260 0.000 0.812 200 L CB 0.725 42.332 42.059 -0.753 0.000 1.125 200 L HN 0.640 nan 8.230 nan 0.000 0.452 201 T N -0.983 113.496 114.554 -0.125 0.000 2.847 201 T HA 0.187 4.537 4.350 -0.000 0.000 0.279 201 T C 0.850 175.659 174.700 0.182 0.000 0.984 201 T CA -0.778 61.340 62.100 0.031 0.000 0.988 201 T CB 1.198 70.035 68.868 -0.052 0.000 1.040 201 T HN 0.424 nan 8.240 nan 0.000 0.528 202 L N 0.622 121.975 121.223 0.215 0.000 2.191 202 L HA 0.048 4.388 4.340 -0.000 0.000 0.212 202 L C 1.799 178.776 176.870 0.179 0.000 1.103 202 L CA 1.849 56.842 54.840 0.256 0.000 0.769 202 L CB -1.076 41.056 42.059 0.123 0.000 0.908 202 L HN 0.801 nan 8.230 nan 0.000 0.438 203 D N -1.501 118.939 120.400 0.067 0.000 2.117 203 D HA -0.188 4.452 4.640 -0.000 0.000 0.198 203 D C 2.125 178.418 176.300 -0.012 0.000 0.982 203 D CA 1.088 55.104 54.000 0.027 0.000 0.828 203 D CB -0.006 40.787 40.800 -0.013 0.000 0.967 203 D HN 0.447 nan 8.370 nan 0.000 0.464 204 Q N -0.814 118.872 119.800 -0.190 0.000 2.167 204 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 204 Q C 1.740 177.685 176.000 -0.092 0.000 0.970 204 Q CA 0.913 56.407 55.803 -0.515 0.000 0.855 204 Q CB -0.112 27.919 28.738 -1.179 0.000 0.911 204 Q HN 0.484 nan 8.270 nan 0.000 0.438 205 W N 0.601 121.879 121.300 -0.035 0.000 2.381 205 W HA -0.151 4.509 4.660 -0.000 0.000 0.301 205 W C 2.548 179.105 176.519 0.064 0.000 1.205 205 W CA 0.971 58.344 57.345 0.048 0.000 1.285 205 W CB -0.176 29.305 29.460 0.035 0.000 1.133 205 W HN 0.143 nan 8.180 nan 0.000 0.521 206 A N 0.034 123.030 122.820 0.293 0.000 1.933 206 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 206 A C 1.738 179.423 177.584 0.168 0.000 1.175 206 A CA 2.088 54.236 52.037 0.185 0.000 0.628 206 A CB -0.871 18.203 19.000 0.124 0.000 0.814 206 A HN 0.369 nan 8.150 nan 0.000 0.444 207 E N -0.239 120.077 120.200 0.194 0.000 2.077 207 E HA -0.149 4.200 4.350 -0.000 0.000 0.193 207 E C 1.747 178.453 176.600 0.176 0.000 0.989 207 E CA 1.284 57.807 56.400 0.205 0.000 0.800 207 E CB -0.147 29.766 29.700 0.355 0.000 0.746 207 E HN 0.468 nan 8.360 nan 0.000 0.452 208 I N 0.956 121.662 120.570 0.227 0.000 2.315 208 I HA -0.179 3.991 4.170 -0.000 0.000 0.248 208 I C 2.354 178.540 176.117 0.114 0.000 1.117 208 I CA 1.311 62.695 61.300 0.141 0.000 1.404 208 I CB -1.553 36.541 38.000 0.155 0.000 1.071 208 I HN 0.212 nan 8.210 nan 0.000 0.419 209 A N 0.400 123.316 122.820 0.160 0.000 1.933 209 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 209 A C 2.574 180.197 177.584 0.065 0.000 1.175 209 A CA 2.062 54.169 52.037 0.117 0.000 0.628 209 A CB -0.657 18.416 19.000 0.121 0.000 0.814 209 A HN 0.434 nan 8.150 nan 0.000 0.444 210 S N -0.031 115.705 115.700 0.061 0.000 2.356 210 S HA -0.117 4.353 4.470 -0.000 0.000 0.223 210 S C 1.817 176.420 174.600 0.006 0.000 1.032 210 S CA 1.496 59.715 58.200 0.032 0.000 1.005 210 S CB -0.499 62.722 63.200 0.035 0.000 0.867 210 S HN 0.558 nan 8.310 nan 0.000 0.449 211 I N 1.480 122.044 120.570 -0.009 0.000 2.179 211 I HA -0.188 3.982 4.170 -0.000 0.000 0.242 211 I C 2.134 178.221 176.117 -0.050 0.000 1.088 211 I CA 1.111 62.381 61.300 -0.050 0.000 1.357 211 I CB -0.448 37.495 38.000 -0.094 0.000 1.051 211 I HN 0.224 nan 8.210 nan 0.000 0.409 212 L N 0.712 121.916 121.223 -0.031 0.000 2.042 212 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 212 L C 2.727 179.589 176.870 -0.013 0.000 1.076 212 L CA 1.847 56.672 54.840 -0.025 0.000 0.749 212 L CB -0.748 41.317 42.059 0.010 0.000 0.893 212 L HN 0.424 nan 8.230 nan 0.000 0.432 213 E N 0.219 120.420 120.200 0.001 0.000 2.152 213 E HA -0.213 4.137 4.350 -0.000 0.000 0.192 213 E C 1.960 178.557 176.600 -0.005 0.000 0.983 213 E CA 0.793 57.195 56.400 0.003 0.000 0.818 213 E CB -0.168 29.539 29.700 0.011 0.000 0.758 213 E HN 0.439 nan 8.360 nan 0.000 0.467 214 K N 0.587 120.979 120.400 -0.013 0.000 2.097 214 K HA -0.066 4.254 4.320 -0.000 0.000 0.205 214 K C 2.319 178.906 176.600 -0.022 0.000 1.050 214 K CA 1.858 58.135 56.287 -0.017 0.000 0.938 214 K CB -0.026 32.460 32.500 -0.023 0.000 0.718 214 K HN 0.330 nan 8.250 nan 0.000 0.442 215 T N -3.515 111.018 114.554 -0.034 0.000 3.051 215 T HA 0.149 4.499 4.350 -0.000 0.000 0.255 215 T C 1.432 176.118 174.700 -0.023 0.000 1.085 215 T CA 0.493 62.570 62.100 -0.039 0.000 1.109 215 T CB 0.432 69.254 68.868 -0.076 0.000 0.921 215 T HN 0.299 nan 8.240 nan 0.000 0.488 216 G N 1.604 110.395 108.800 -0.016 0.000 2.143 216 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.248 216 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.248 216 G C 0.246 175.147 174.900 0.001 0.000 0.991 216 G CA -0.045 45.053 45.100 -0.003 0.000 0.689 216 G HN 1.177 nan 8.290 nan 0.000 0.522 217 A N -0.371 122.440 122.820 -0.015 0.000 2.425 217 A HA 0.681 5.001 4.320 -0.000 0.000 0.249 217 A C 0.395 177.988 177.584 0.014 0.000 1.084 217 A CA 0.046 52.079 52.037 -0.006 0.000 0.781 217 A CB 0.777 19.739 19.000 -0.063 0.000 1.019 217 A HN 1.551 nan 8.150 nan 0.000 0.490 218 L N 5.322 126.568 121.223 0.038 0.000 2.281 218 L HA 0.461 4.801 4.340 -0.000 0.000 0.285 218 L C -2.139 174.766 176.870 0.059 0.000 1.074 218 L CA -1.738 53.130 54.840 0.046 0.000 0.817 218 L CB 0.861 42.950 42.059 0.051 0.000 1.168 218 L HN 0.440 nan 8.230 nan 0.000 0.434 219 P HA 0.207 nan 4.420 nan 0.000 0.285 219 P C -1.373 175.975 177.300 0.081 0.000 1.259 219 P CA -0.586 62.562 63.100 0.080 0.000 0.794 219 P CB 1.723 33.478 31.700 0.092 0.000 0.940 220 L N 5.099 126.376 121.223 0.089 0.000 2.319 220 L HA 0.490 4.830 4.340 -0.000 0.000 0.281 220 L C -0.873 176.046 176.870 0.082 0.000 1.005 220 L CA -0.667 54.218 54.840 0.075 0.000 0.828 220 L CB 0.628 42.727 42.059 0.066 0.000 1.227 220 L HN 0.240 nan 8.230 nan 0.000 0.415 221 I N 4.412 125.030 120.570 0.080 0.000 2.339 221 I HA 0.286 4.456 4.170 -0.000 0.000 0.290 221 I C -0.500 175.655 176.117 0.063 0.000 0.994 221 I CA -0.529 60.828 61.300 0.097 0.000 1.191 221 I CB 1.499 39.559 38.000 0.099 0.000 1.343 221 I HN 0.552 nan 8.210 nan 0.000 0.458 222 D N 7.343 127.766 120.400 0.038 0.000 2.380 222 D HA 0.218 4.858 4.640 -0.000 0.000 0.230 222 D C -0.984 175.342 176.300 0.043 0.000 1.154 222 D CA -0.316 53.690 54.000 0.010 0.000 0.859 222 D CB 1.217 41.978 40.800 -0.064 0.000 1.045 222 D HN 0.209 nan 8.370 nan 0.000 0.495 223 L N 4.248 125.496 121.223 0.041 0.000 2.371 223 L HA 0.526 4.866 4.340 -0.000 0.000 0.262 223 L C 0.552 177.433 176.870 0.018 0.000 1.054 223 L CA -0.226 54.652 54.840 0.063 0.000 0.924 223 L CB 0.846 42.939 42.059 0.057 0.000 1.295 223 L HN 0.462 nan 8.230 nan 0.000 0.441 224 A N 3.464 126.278 122.820 -0.011 0.000 2.229 224 A HA 0.209 4.529 4.320 -0.000 0.000 0.211 224 A C 0.418 177.796 177.584 -0.344 0.000 1.193 224 A CA 0.366 52.277 52.037 -0.210 0.000 0.879 224 A CB 0.057 18.824 19.000 -0.387 0.000 0.911 224 A HN 0.593 nan 8.150 nan 0.000 0.492 225 Y N 0.336 120.683 120.300 0.078 0.000 2.699 225 Y HA 0.302 4.852 4.550 -0.000 0.000 0.282 225 Y C 0.555 176.608 175.900 0.255 0.000 1.058 225 Y CA -0.646 57.549 58.100 0.158 0.000 1.194 225 Y CB 0.165 38.661 38.460 0.059 0.000 1.193 225 Y HN 0.359 nan 8.280 nan 0.000 0.562 226 Q N 0.911 120.873 119.800 0.270 0.000 2.244 226 Q HA 0.336 4.676 4.340 -0.000 0.000 0.278 226 Q C 1.047 177.126 176.000 0.132 0.000 1.093 226 Q CA 1.336 57.250 55.803 0.185 0.000 0.916 226 Q CB 0.146 28.963 28.738 0.132 0.000 1.159 226 Q HN 0.823 nan 8.270 nan 0.000 0.384 227 G N 3.379 112.207 108.800 0.048 0.000 2.231 227 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.206 227 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.206 227 G C 0.148 174.892 174.900 -0.259 0.000 0.996 227 G CA -0.032 44.964 45.100 -0.174 0.000 0.645 227 G HN 0.649 nan 8.290 nan 0.000 0.498 228 F N 1.617 121.566 119.950 -0.002 0.000 2.746 228 F HA 0.390 4.917 4.527 -0.000 0.000 0.297 228 F C 2.341 178.130 175.800 -0.017 0.000 1.113 228 F CA 1.077 59.070 58.000 -0.011 0.000 1.367 228 F CB 0.426 39.464 39.000 0.063 0.000 1.111 228 F HN 0.318 nan 8.300 nan 0.000 0.590 229 G N -0.355 108.540 108.800 0.158 0.000 2.558 229 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.218 229 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.218 229 G C 0.913 175.845 174.900 0.053 0.000 1.567 229 G CA 0.472 45.639 45.100 0.111 0.000 0.950 229 G HN 0.118 nan 8.290 nan 0.000 0.517 230 D N 0.290 120.712 120.400 0.038 0.000 2.433 230 D HA 0.359 4.999 4.640 -0.000 0.000 0.211 230 D C 1.035 177.315 176.300 -0.033 0.000 1.114 230 D CA 0.908 54.912 54.000 0.007 0.000 0.837 230 D CB 1.795 42.610 40.800 0.025 0.000 0.984 230 D HN 0.555 nan 8.370 nan 0.000 0.505 234 E N 0.929 121.099 120.200 -0.050 0.000 2.047 234 E HA -0.224 4.126 4.350 -0.000 0.000 0.191 234 E C 1.557 178.138 176.600 -0.031 0.000 0.987 234 E CA 1.574 57.954 56.400 -0.034 0.000 0.799 234 E CB 0.081 29.760 29.700 -0.035 0.000 0.752 234 E HN 0.325 nan 8.360 nan 0.000 0.449 235 E N 1.389 121.572 120.200 -0.029 0.000 2.110 235 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 235 E C 1.290 177.890 176.600 -0.001 0.000 0.988 235 E CA 1.161 57.552 56.400 -0.015 0.000 0.804 235 E CB -0.128 29.567 29.700 -0.008 0.000 0.745 235 E HN 0.092 nan 8.360 nan 0.000 0.458 236 D N -0.763 119.644 120.400 0.011 0.000 2.312 236 D HA -0.032 4.608 4.640 -0.000 0.000 0.211 236 D C 1.173 177.481 176.300 0.014 0.000 0.964 236 D CA 1.126 55.153 54.000 0.045 0.000 0.877 236 D CB -0.031 40.814 40.800 0.076 0.000 0.924 236 D HN 0.298 nan 8.370 nan 0.000 0.515 237 A N 0.229 123.034 122.820 -0.024 0.000 2.238 237 A HA 0.401 4.721 4.320 -0.000 0.000 0.210 237 A C 2.145 179.647 177.584 -0.136 0.000 1.179 237 A CA 0.804 52.803 52.037 -0.064 0.000 0.827 237 A CB -0.028 18.950 19.000 -0.037 0.000 0.856 237 A HN 0.132 nan 8.150 nan 0.000 0.488 238 A N 0.262 123.004 122.820 -0.130 0.000 1.884 238 A HA -0.040 4.280 4.320 -0.000 0.000 0.219 238 A C 2.349 179.736 177.584 -0.329 0.000 1.197 238 A CA 2.169 54.107 52.037 -0.165 0.000 0.637 238 A CB -1.369 17.572 19.000 -0.099 0.000 0.827 238 A HN 0.750 nan 8.150 nan 0.000 0.450 239 G N -1.693 106.747 108.800 -0.600 0.000 2.422 239 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.218 239 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.218 239 G C 1.556 175.853 174.900 -1.005 0.000 1.146 239 G CA 1.634 45.919 45.100 -1.358 0.000 0.769 239 G HN 0.457 nan 8.290 nan 0.000 0.547 240 T N 0.712 114.889 114.554 -0.628 0.000 2.777 240 T HA -0.069 4.281 4.350 -0.000 0.000 0.266 240 T C 2.486 177.053 174.700 -0.222 0.000 1.040 240 T CA 1.070 62.963 62.100 -0.346 0.000 1.141 240 T CB -0.133 68.625 68.868 -0.184 0.000 0.868 240 T HN 0.272 nan 8.240 nan 0.000 0.444 241 R N 0.418 120.800 120.500 -0.197 0.000 2.115 241 R HA 0.099 4.439 4.340 -0.000 0.000 0.230 241 R C 2.442 178.674 176.300 -0.112 0.000 1.111 241 R CA 0.776 56.802 56.100 -0.123 0.000 0.976 241 R CB -0.485 29.755 30.300 -0.099 0.000 0.870 241 R HN 0.317 nan 8.270 nan 0.000 0.445 242 L N 0.531 121.660 121.223 -0.157 0.000 2.027 242 L HA -0.147 4.193 4.340 -0.000 0.000 0.206 242 L C 1.886 178.725 176.870 -0.052 0.000 1.074 242 L CA 1.305 56.088 54.840 -0.095 0.000 0.745 242 L CB -0.073 41.927 42.059 -0.098 0.000 0.898 242 L HN 0.039 nan 8.230 nan 0.000 0.433 243 I N 0.337 120.861 120.570 -0.076 0.000 2.286 243 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 243 I C 2.630 178.742 176.117 -0.008 0.000 1.115 243 I CA 1.446 62.744 61.300 -0.002 0.000 1.392 243 I CB -0.837 37.179 38.000 0.027 0.000 1.065 243 I HN 0.284 nan 8.210 nan 0.000 0.418 244 A N -0.214 122.586 122.820 -0.034 0.000 2.015 244 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 244 A C 2.455 180.030 177.584 -0.014 0.000 1.163 244 A CA 1.940 53.964 52.037 -0.022 0.000 0.646 244 A CB -0.789 18.191 19.000 -0.034 0.000 0.806 244 A HN 0.518 nan 8.150 nan 0.000 0.448 245 S N -1.332 114.358 115.700 -0.017 0.000 2.458 245 S HA 0.078 4.548 4.470 -0.000 0.000 0.223 245 S C 1.972 176.573 174.600 0.001 0.000 1.019 245 S CA 0.274 58.469 58.200 -0.009 0.000 0.937 245 S CB -0.131 63.061 63.200 -0.013 0.000 0.788 245 S HN 0.519 nan 8.310 nan 0.000 0.511 246 R N 0.525 121.029 120.500 0.007 0.000 2.055 246 R HA 0.288 4.628 4.340 -0.000 0.000 0.221 246 R C 0.238 176.549 176.300 0.018 0.000 1.154 246 R CA 0.520 56.630 56.100 0.018 0.000 0.975 246 R CB -0.297 30.022 30.300 0.032 0.000 0.869 246 R HN 0.362 nan 8.270 nan 0.000 0.437 247 I N 4.093 124.675 120.570 0.021 0.000 2.396 247 I HA 0.068 4.238 4.170 -0.000 0.000 0.289 247 I C -1.270 174.856 176.117 0.015 0.000 1.056 247 I CA -2.371 58.941 61.300 0.021 0.000 1.365 247 I CB 0.590 38.608 38.000 0.030 0.000 1.407 247 I HN 0.038 nan 8.210 nan 0.000 0.509 248 P HA -0.110 nan 4.420 nan 0.000 0.220 248 P C 0.288 177.595 177.300 0.012 0.000 1.148 248 P CA 1.076 64.182 63.100 0.011 0.000 0.803 248 P CB 0.806 32.512 31.700 0.010 0.000 0.782 249 E N -0.195 120.015 120.200 0.016 0.000 2.241 249 E HA 0.475 4.825 4.350 -0.000 0.000 0.263 249 E C -1.799 174.816 176.600 0.025 0.000 0.882 249 E CA -0.845 55.566 56.400 0.019 0.000 0.769 249 E CB 2.340 32.051 29.700 0.020 0.000 1.185 249 E HN -0.199 nan 8.360 nan 0.000 0.415 250 V N 4.751 124.680 119.914 0.025 0.000 3.048 250 V HA 0.520 4.640 4.120 -0.000 0.000 0.303 250 V C -2.208 173.905 176.094 0.031 0.000 1.214 250 V CA -0.737 61.582 62.300 0.031 0.000 0.984 250 V CB 1.857 33.697 31.823 0.028 0.000 1.054 250 V HN 0.565 nan 8.190 nan 0.000 0.430 251 L N 6.204 127.452 121.223 0.041 0.000 2.329 251 L HA 0.700 5.040 4.340 -0.000 0.000 0.279 251 L C -0.366 176.529 176.870 0.043 0.000 1.014 251 L CA -0.198 54.668 54.840 0.042 0.000 0.814 251 L CB 1.583 43.673 42.059 0.051 0.000 1.257 251 L HN 0.606 nan 8.230 nan 0.000 0.424 252 I N 2.621 123.213 120.570 0.037 0.000 2.447 252 I HA 0.587 4.757 4.170 -0.000 0.000 0.287 252 I C -0.329 175.812 176.117 0.039 0.000 1.023 252 I CA -0.683 60.638 61.300 0.035 0.000 1.083 252 I CB 2.002 40.012 38.000 0.017 0.000 1.245 252 I HN 0.651 nan 8.210 nan 0.000 0.434 253 A N 5.429 128.278 122.820 0.047 0.000 2.280 253 A HA 0.851 5.171 4.320 -0.000 0.000 0.320 253 A C -0.091 177.516 177.584 0.037 0.000 1.366 253 A CA -0.379 51.690 52.037 0.053 0.000 0.938 253 A CB 0.539 19.582 19.000 0.071 0.000 1.157 253 A HN 0.768 nan 8.150 nan 0.000 0.536 254 A N 2.032 124.872 122.820 0.034 0.000 2.325 254 A HA 0.795 5.115 4.320 -0.000 0.000 0.333 254 A C 0.192 177.792 177.584 0.027 0.000 1.155 254 A CA -0.342 51.710 52.037 0.025 0.000 0.814 254 A CB 1.128 20.140 19.000 0.020 0.000 1.206 254 A HN 1.217 nan 8.150 nan 0.000 0.482 255 S N 0.108 115.810 115.700 0.003 0.000 2.500 255 S HA 0.406 4.876 4.470 -0.000 0.000 0.301 255 S C 0.065 174.682 174.600 0.027 0.000 1.092 255 S CA -0.560 57.633 58.200 -0.012 0.000 1.030 255 S CB 0.895 64.034 63.200 -0.101 0.000 1.031 255 S HN 0.764 nan 8.310 nan 0.000 0.483 256 C N 3.168 122.494 119.300 0.044 0.000 2.906 256 C HA 0.250 4.710 4.460 -0.000 0.000 0.274 256 C C 2.431 177.448 174.990 0.046 0.000 1.257 256 C CA -0.237 58.855 59.018 0.124 0.000 1.695 256 C CB -1.503 26.232 27.740 -0.008 0.000 1.958 256 C HN 0.890 nan 8.230 nan 0.000 0.619 257 S N 2.086 117.735 115.700 -0.085 0.000 2.353 257 S HA -0.190 4.280 4.470 -0.000 0.000 0.222 257 S C 1.878 176.103 174.600 -0.626 0.000 1.035 257 S CA 1.677 59.715 58.200 -0.270 0.000 1.025 257 S CB -0.056 63.056 63.200 -0.148 0.000 0.902 257 S HN 0.673 nan 8.310 nan 0.000 0.440 258 K N 1.663 121.829 120.400 -0.391 0.000 2.128 258 K HA 0.073 4.393 4.320 -0.000 0.000 0.202 258 K C 1.770 178.477 176.600 0.178 0.000 1.050 258 K CA 1.046 57.166 56.287 -0.278 0.000 0.966 258 K CB -0.209 32.092 32.500 -0.332 0.000 0.759 258 K HN 0.379 nan 8.250 nan 0.000 0.454 259 N N 0.155 119.022 118.700 0.277 0.000 2.459 259 N HA -0.113 4.627 4.740 -0.000 0.000 0.181 259 N C 0.779 176.370 175.510 0.135 0.000 1.046 259 N CA 1.151 54.370 53.050 0.282 0.000 0.904 259 N CB -0.223 38.400 38.487 0.227 0.000 0.964 259 N HN 0.139 nan 8.380 nan 0.000 0.444 260 F N -0.700 119.339 119.950 0.147 0.000 2.682 260 F HA 0.425 4.952 4.527 -0.000 0.000 0.308 260 F C 1.590 177.408 175.800 0.029 0.000 1.093 260 F CA 0.016 58.064 58.000 0.080 0.000 1.244 260 F CB 0.389 39.316 39.000 -0.120 0.000 1.052 260 F HN 0.156 nan 8.300 nan 0.000 0.573 261 G N 2.206 111.046 108.800 0.065 0.000 2.249 261 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.273 261 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.273 261 G C 0.575 175.502 174.900 0.044 0.000 1.036 261 G CA 0.655 45.762 45.100 0.011 0.000 0.824 261 G HN 0.612 nan 8.290 nan 0.000 0.504 262 I N -3.542 116.985 120.570 -0.073 0.000 3.637 262 I HA 0.409 4.579 4.170 -0.000 0.000 0.342 262 I C 1.656 177.802 176.117 0.048 0.000 1.545 262 I CA -1.192 60.136 61.300 0.047 0.000 1.126 262 I CB -0.421 37.591 38.000 0.019 0.000 1.375 262 I HN 0.026 nan 8.210 nan 0.000 0.467 263 Y N 2.723 123.079 120.300 0.094 0.000 2.029 263 Y HA -0.348 4.202 4.550 -0.000 0.000 0.269 263 Y C 2.844 178.774 175.900 0.049 0.000 1.201 263 Y CA 2.544 60.685 58.100 0.068 0.000 1.115 263 Y CB -0.825 37.679 38.460 0.075 0.000 0.945 263 Y HN 0.438 nan 8.280 nan 0.000 0.497 264 R N 0.465 121.111 120.500 0.244 0.000 2.285 264 R HA -0.070 4.270 4.340 -0.000 0.000 0.213 264 R C 1.248 177.598 176.300 0.082 0.000 1.068 264 R CA 1.286 57.466 56.100 0.133 0.000 1.004 264 R CB -0.362 30.003 30.300 0.109 0.000 0.873 264 R HN 0.309 nan 8.270 nan 0.000 0.467 265 E N 1.296 121.542 120.200 0.077 0.000 2.285 265 E HA -0.025 4.325 4.350 -0.000 0.000 0.194 265 E C -0.141 176.457 176.600 -0.004 0.000 0.997 265 E CA 0.222 56.647 56.400 0.043 0.000 0.845 265 E CB 0.054 29.779 29.700 0.042 0.000 0.782 265 E HN 0.179 nan 8.360 nan 0.000 0.491 266 R N 0.435 120.935 120.500 -0.001 0.000 2.855 266 R HA -0.115 4.225 4.340 -0.000 0.000 0.288 266 R C -0.264 175.995 176.300 -0.069 0.000 0.942 266 R CA 0.859 56.945 56.100 -0.023 0.000 0.705 266 R CB -3.134 27.145 30.300 -0.035 0.000 1.791 266 R HN 0.294 nan 8.270 nan 0.000 0.478 267 T N -1.311 113.202 114.554 -0.069 0.000 2.928 267 T HA 0.791 5.141 4.350 -0.000 0.000 0.296 267 T C 0.190 174.886 174.700 -0.007 0.000 1.000 267 T CA 0.349 62.383 62.100 -0.109 0.000 0.989 267 T CB 2.216 70.945 68.868 -0.232 0.000 1.005 267 T HN 0.796 nan 8.240 nan 0.000 0.442 268 G N 1.213 110.056 108.800 0.071 0.000 2.554 268 G HA2 0.691 4.651 3.960 -0.000 0.000 0.306 268 G HA3 0.691 4.651 3.960 -0.000 0.000 0.306 268 G C -0.865 174.178 174.900 0.239 0.000 1.320 268 G CA -0.131 45.058 45.100 0.149 0.000 0.800 268 G HN 1.813 nan 8.290 nan 0.000 0.481 269 C N -1.393 118.009 119.300 0.170 0.000 3.284 269 C HA 0.816 5.276 4.460 -0.000 0.000 0.338 269 C C -1.402 173.641 174.990 0.089 0.000 1.237 269 C CA -1.011 58.106 59.018 0.165 0.000 1.276 269 C CB 0.717 28.562 27.740 0.175 0.000 1.601 269 C HN 1.237 nan 8.230 nan 0.000 0.494 270 L N 2.263 123.540 121.223 0.089 0.000 2.307 270 L HA 0.842 5.182 4.340 -0.000 0.000 0.284 270 L C -0.879 176.019 176.870 0.047 0.000 1.023 270 L CA -0.572 54.308 54.840 0.067 0.000 0.810 270 L CB 1.153 43.260 42.059 0.079 0.000 1.231 270 L HN 0.823 nan 8.230 nan 0.000 0.423 271 L N 5.436 126.677 121.223 0.030 0.000 2.322 271 L HA 0.810 5.150 4.340 -0.000 0.000 0.281 271 L C -0.230 176.654 176.870 0.023 0.000 1.014 271 L CA -0.624 54.226 54.840 0.016 0.000 0.815 271 L CB 1.815 43.871 42.059 -0.003 0.000 1.247 271 L HN 0.777 nan 8.230 nan 0.000 0.421 272 A N 5.406 128.239 122.820 0.023 0.000 2.328 272 A HA 0.652 4.972 4.320 -0.000 0.000 0.318 272 A C -0.558 177.036 177.584 0.017 0.000 1.347 272 A CA -0.477 51.575 52.037 0.025 0.000 0.842 272 A CB 0.333 19.351 19.000 0.030 0.000 1.148 272 A HN 0.638 nan 8.150 nan 0.000 0.499 273 L N 2.275 123.506 121.223 0.015 0.000 2.281 273 L HA 0.370 4.710 4.340 -0.000 0.000 0.285 273 L C -0.372 176.505 176.870 0.012 0.000 1.074 273 L CA -0.397 54.448 54.840 0.010 0.000 0.817 273 L CB 0.545 42.607 42.059 0.006 0.000 1.168 273 L HN 0.648 nan 8.230 nan 0.000 0.434 274 C N 1.287 120.593 119.300 0.010 0.000 2.562 274 C HA 0.580 5.040 4.460 -0.000 0.000 0.332 274 C C 1.605 176.599 174.990 0.008 0.000 1.201 274 C CA -0.542 58.482 59.018 0.010 0.000 1.803 274 C CB 1.506 29.252 27.740 0.010 0.000 2.328 274 C HN 0.961 nan 8.230 nan 0.000 0.500 275 A N 0.552 123.376 122.820 0.008 0.000 1.969 275 A HA 0.080 4.399 4.320 -0.000 0.000 0.218 275 A C 0.410 177.997 177.584 0.005 0.000 1.169 275 A CA 1.794 53.834 52.037 0.006 0.000 0.635 275 A CB -0.520 18.484 19.000 0.007 0.000 0.810 275 A HN 1.016 nan 8.150 nan 0.000 0.445 276 D N -4.923 115.479 120.400 0.004 0.000 2.596 276 D HA 0.598 5.238 4.640 -0.000 0.000 0.262 276 D C 0.459 176.761 176.300 0.004 0.000 1.210 276 D CA -0.136 53.866 54.000 0.003 0.000 0.873 276 D CB 1.132 41.933 40.800 0.003 0.000 1.408 276 D HN -0.020 nan 8.370 nan 0.000 0.441 277 A N 0.408 123.230 122.820 0.003 0.000 1.972 277 A HA 0.087 4.407 4.320 -0.000 0.000 0.219 277 A C 2.141 179.727 177.584 0.003 0.000 1.169 277 A CA 2.037 54.076 52.037 0.004 0.000 0.635 277 A CB -1.269 17.733 19.000 0.003 0.000 0.810 277 A HN 0.687 nan 8.150 nan 0.000 0.446 278 A N -0.739 122.083 122.820 0.002 0.000 1.858 278 A HA -0.093 4.227 4.320 -0.000 0.000 0.216 278 A C 2.300 179.885 177.584 0.000 0.000 1.190 278 A CA 2.276 54.314 52.037 0.000 0.000 0.617 278 A CB -1.319 17.680 19.000 -0.001 0.000 0.827 278 A HN 0.434 nan 8.150 nan 0.000 0.443 279 T N -0.547 114.008 114.554 0.002 0.000 2.833 279 T HA -0.126 4.224 4.350 -0.000 0.000 0.269 279 T C 2.044 176.747 174.700 0.005 0.000 1.054 279 T CA 1.175 63.277 62.100 0.002 0.000 1.135 279 T CB -0.252 68.618 68.868 0.004 0.000 0.869 279 T HN 0.437 nan 8.240 nan 0.000 0.466 280 R N 1.419 121.923 120.500 0.006 0.000 2.081 280 R HA -0.117 4.223 4.340 -0.000 0.000 0.235 280 R C 2.011 178.317 176.300 0.010 0.000 1.131 280 R CA 1.660 57.765 56.100 0.009 0.000 0.960 280 R CB -0.239 30.066 30.300 0.008 0.000 0.856 280 R HN 0.508 nan 8.270 nan 0.000 0.436 281 E N 0.413 120.617 120.200 0.007 0.000 2.077 281 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 281 E C 2.172 178.774 176.600 0.003 0.000 0.989 281 E CA 1.239 57.642 56.400 0.006 0.000 0.800 281 E CB -0.099 29.603 29.700 0.003 0.000 0.746 281 E HN 0.281 nan 8.360 nan 0.000 0.452 282 L N 0.467 121.690 121.223 -0.001 0.000 2.017 282 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 282 L C 2.545 179.415 176.870 -0.001 0.000 1.073 282 L CA 1.167 56.002 54.840 -0.008 0.000 0.745 282 L CB -0.441 41.611 42.059 -0.011 0.000 0.894 282 L HN 0.179 nan 8.230 nan 0.000 0.432 283 A N -0.715 122.110 122.820 0.008 0.000 1.877 283 A HA -0.301 4.019 4.320 -0.000 0.000 0.216 283 A C 2.166 179.767 177.584 0.027 0.000 1.186 283 A CA 1.933 53.981 52.037 0.018 0.000 0.620 283 A CB -0.603 18.410 19.000 0.021 0.000 0.822 283 A HN 0.407 nan 8.150 nan 0.000 0.443 284 Q N -0.115 119.700 119.800 0.026 0.000 2.096 284 Q HA -0.069 4.271 4.340 -0.000 0.000 0.204 284 Q C 1.965 177.989 176.000 0.039 0.000 0.982 284 Q CA 2.268 58.091 55.803 0.034 0.000 0.850 284 Q CB -1.032 27.724 28.738 0.029 0.000 0.901 284 Q HN 0.521 nan 8.270 nan 0.000 0.422 285 G N -0.350 108.467 108.800 0.027 0.000 2.418 285 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.217 285 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.217 285 G C 1.456 176.389 174.900 0.055 0.000 1.158 285 G CA 0.926 46.044 45.100 0.030 0.000 0.771 285 G HN 0.522 nan 8.290 nan 0.000 0.545 286 A N 0.324 123.167 122.820 0.038 0.000 1.969 286 A HA 0.124 4.444 4.320 -0.000 0.000 0.218 286 A C 2.429 180.096 177.584 0.138 0.000 1.169 286 A CA 1.614 53.693 52.037 0.070 0.000 0.635 286 A CB -0.289 18.726 19.000 0.025 0.000 0.810 286 A HN 0.393 nan 8.150 nan 0.000 0.445 287 M N -0.717 118.936 119.600 0.089 0.000 2.156 287 M HA -0.065 4.415 4.480 -0.000 0.000 0.264 287 M C 2.519 178.856 176.300 0.062 0.000 1.067 287 M CA 1.298 56.643 55.300 0.075 0.000 1.131 287 M CB -0.297 32.341 32.600 0.063 0.000 1.368 287 M HN 0.453 nan 8.290 nan 0.000 0.416 288 A N 0.050 122.911 122.820 0.068 0.000 1.902 288 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 288 A C 2.001 179.593 177.584 0.015 0.000 1.181 288 A CA 1.347 53.405 52.037 0.035 0.000 0.623 288 A CB -1.018 18.009 19.000 0.043 0.000 0.818 288 A HN 0.528 nan 8.150 nan 0.000 0.443 289 F N 0.272 120.177 119.950 -0.074 0.000 2.126 289 F HA -0.178 4.349 4.527 -0.000 0.000 0.299 289 F C 1.774 177.504 175.800 -0.117 0.000 1.096 289 F CA 1.575 59.521 58.000 -0.091 0.000 1.255 289 F CB -0.284 38.678 39.000 -0.063 0.000 0.997 289 F HN 0.147 nan 8.300 nan 0.000 0.479 290 L N 0.841 122.023 121.223 -0.068 0.000 2.042 290 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 290 L C 2.151 178.810 176.870 -0.351 0.000 1.076 290 L CA 1.651 56.380 54.840 -0.185 0.000 0.749 290 L CB -1.542 40.501 42.059 -0.026 0.000 0.893 290 L HN 0.163 nan 8.230 nan 0.000 0.432 291 N N -0.824 117.685 118.700 -0.317 0.000 2.142 291 N HA -0.143 4.597 4.740 -0.000 0.000 0.186 291 N C 1.998 177.166 175.510 -0.570 0.000 1.023 291 N CA 0.866 53.615 53.050 -0.500 0.000 0.852 291 N CB -0.154 38.218 38.487 -0.191 0.000 0.998 291 N HN 0.206 nan 8.380 nan 0.000 0.424 292 R N 0.510 120.745 120.500 -0.442 0.000 2.091 292 R HA -0.062 4.278 4.340 -0.000 0.000 0.238 292 R C 1.355 177.383 176.300 -0.453 0.000 1.136 292 R CA 1.281 57.115 56.100 -0.443 0.000 0.959 292 R CB 0.097 30.168 30.300 -0.381 0.000 0.856 292 R HN 0.217 nan 8.270 nan 0.000 0.437 293 Q N -0.957 118.507 119.800 -0.560 0.000 2.435 293 Q HA -0.005 4.335 4.340 -0.000 0.000 0.207 293 Q C 1.459 177.251 176.000 -0.347 0.000 0.956 293 Q CA 1.216 56.734 55.803 -0.475 0.000 0.917 293 Q CB 0.548 28.910 28.738 -0.627 0.000 0.997 293 Q HN 0.367 nan 8.270 nan 0.000 0.497 294 T N -0.412 113.878 114.554 -0.439 0.000 3.021 294 T HA 0.012 4.362 4.350 -0.000 0.000 0.245 294 T C 0.508 175.062 174.700 -0.243 0.000 1.028 294 T CA 0.878 62.754 62.100 -0.374 0.000 1.139 294 T CB 0.111 68.676 68.868 -0.505 0.000 0.884 294 T HN 0.450 nan 8.240 nan 0.000 0.457 295 Y N -1.254 119.001 120.300 -0.076 0.000 3.024 295 Y HA 0.662 5.212 4.550 -0.000 0.000 0.283 295 Y C 0.619 176.488 175.900 -0.052 0.000 1.040 295 Y CA -0.530 57.546 58.100 -0.039 0.000 1.283 295 Y CB -0.398 38.061 38.460 -0.001 0.000 1.367 295 Y HN 0.062 nan 8.280 nan 0.000 0.589 296 S N 0.142 115.778 115.700 -0.106 0.000 4.142 296 S HA -0.259 4.211 4.470 -0.000 0.000 0.624 296 S C -0.158 174.348 174.600 -0.158 0.000 1.892 296 S CA 1.159 59.219 58.200 -0.234 0.000 4.236 296 S CB -1.582 61.550 63.200 -0.115 0.000 0.204 296 S HN 0.428 nan 8.310 nan 0.000 0.486 297 F N 5.140 125.177 119.950 0.145 0.000 2.382 297 F HA 0.510 5.037 4.527 -0.000 0.000 0.331 297 F C -1.373 174.574 175.800 0.245 0.000 1.121 297 F CA -1.159 56.949 58.000 0.180 0.000 1.183 297 F CB 0.245 39.338 39.000 0.154 0.000 1.207 297 F HN 0.281 nan 8.300 nan 0.000 0.555 298 P HA 0.186 nan 4.420 nan 0.000 0.279 298 P C -2.644 174.709 177.300 0.088 0.000 1.252 298 P CA -1.585 61.610 63.100 0.157 0.000 0.811 298 P CB 0.302 32.100 31.700 0.164 0.000 1.035 299 P HA 0.042 nan 4.420 nan 0.000 0.268 299 P C 0.199 177.506 177.300 0.012 0.000 1.204 299 P CA 0.018 63.118 63.100 0.000 0.000 0.768 299 P CB 0.548 32.210 31.700 -0.063 0.000 0.842 300 F N 2.847 122.751 119.950 -0.078 0.000 2.262 300 F HA -0.065 4.462 4.527 -0.000 0.000 0.292 300 F C 2.566 178.291 175.800 -0.124 0.000 1.081 300 F CA 1.087 59.022 58.000 -0.108 0.000 1.355 300 F CB -0.510 38.448 39.000 -0.070 0.000 1.069 300 F HN 0.385 nan 8.300 nan 0.000 0.506 301 H N -0.101 118.949 119.070 -0.034 0.000 2.289 301 H HA -0.145 4.411 4.556 -0.000 0.000 0.294 301 H C 2.430 177.584 175.328 -0.291 0.000 1.095 301 H CA 2.318 58.286 56.048 -0.133 0.000 1.256 301 H CB -0.876 28.873 29.762 -0.021 0.000 1.359 301 H HN 0.356 nan 8.280 nan 0.000 0.487 302 G N -0.667 107.971 108.800 -0.270 0.000 2.408 302 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.217 302 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.217 302 G C 1.895 176.483 174.900 -0.520 0.000 1.150 302 G CA 0.770 45.665 45.100 -0.341 0.000 0.776 302 G HN 0.615 nan 8.290 nan 0.000 0.542 303 A N 0.742 123.148 122.820 -0.689 0.000 1.933 303 A HA -0.015 4.305 4.320 -0.000 0.000 0.218 303 A C 2.211 179.368 177.584 -0.711 0.000 1.175 303 A CA 2.338 53.752 52.037 -1.038 0.000 0.628 303 A CB -0.331 17.856 19.000 -1.354 0.000 0.814 303 A HN 0.337 nan 8.150 nan 0.000 0.444 304 K N 0.257 120.163 120.400 -0.824 0.000 2.097 304 K HA 0.044 4.364 4.320 -0.000 0.000 0.205 304 K C 1.588 177.898 176.600 -0.483 0.000 1.050 304 K CA 1.340 57.189 56.287 -0.730 0.000 0.938 304 K CB -0.532 31.319 32.500 -1.082 0.000 0.718 304 K HN 0.511 nan 8.250 nan 0.000 0.442 305 I N -0.179 120.080 120.570 -0.518 0.000 2.179 305 I HA -0.278 3.892 4.170 -0.000 0.000 0.242 305 I C 2.000 177.887 176.117 -0.382 0.000 1.088 305 I CA 1.022 62.082 61.300 -0.400 0.000 1.357 305 I CB -0.254 37.517 38.000 -0.382 0.000 1.051 305 I HN -0.068 nan 8.210 nan 0.000 0.409 306 V N 0.972 120.587 119.914 -0.498 0.000 2.287 306 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 306 V C 2.662 178.523 176.094 -0.389 0.000 1.053 306 V CA 2.392 64.281 62.300 -0.685 0.000 1.027 306 V CB -0.861 30.539 31.823 -0.705 0.000 0.646 306 V HN 0.623 nan 8.190 nan 0.000 0.447 307 S N -0.873 114.708 115.700 -0.198 0.000 2.402 307 S HA -0.200 4.270 4.470 -0.000 0.000 0.229 307 S C 1.905 176.431 174.600 -0.125 0.000 1.021 307 S CA 1.800 59.929 58.200 -0.118 0.000 0.974 307 S CB -0.696 62.483 63.200 -0.035 0.000 0.800 307 S HN 0.572 nan 8.310 nan 0.000 0.484 308 T N 2.285 116.747 114.554 -0.154 0.000 2.777 308 T HA -0.001 4.349 4.350 -0.000 0.000 0.266 308 T C 1.897 176.545 174.700 -0.086 0.000 1.040 308 T CA 1.423 63.456 62.100 -0.111 0.000 1.141 308 T CB -0.537 68.256 68.868 -0.125 0.000 0.868 308 T HN 0.298 nan 8.240 nan 0.000 0.444 309 V N 1.417 121.262 119.914 -0.116 0.000 2.261 309 V HA -0.097 4.022 4.120 -0.000 0.000 0.246 309 V C 2.451 178.522 176.094 -0.038 0.000 1.047 309 V CA 1.252 63.513 62.300 -0.065 0.000 1.015 309 V CB -0.624 31.149 31.823 -0.085 0.000 0.642 309 V HN 0.311 nan 8.190 nan 0.000 0.446 310 L N 0.927 122.099 121.223 -0.085 0.000 2.131 310 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 310 L C 2.526 179.390 176.870 -0.010 0.000 1.092 310 L CA 2.601 57.418 54.840 -0.039 0.000 0.759 310 L CB -1.402 40.608 42.059 -0.082 0.000 0.903 310 L HN 0.673 nan 8.230 nan 0.000 0.435 311 T N -6.375 108.164 114.554 -0.026 0.000 3.086 311 T HA 0.078 4.428 4.350 -0.000 0.000 0.250 311 T C 0.728 175.427 174.700 -0.001 0.000 1.074 311 T CA 0.000 62.093 62.100 -0.012 0.000 0.988 311 T CB -0.320 68.535 68.868 -0.021 0.000 0.988 311 T HN 0.115 nan 8.240 nan 0.000 0.530 312 T N 3.871 118.428 114.554 0.004 0.000 2.853 312 T HA 0.354 4.704 4.350 -0.000 0.000 0.317 312 T C -1.957 172.762 174.700 0.031 0.000 1.059 312 T CA -1.252 60.856 62.100 0.013 0.000 0.954 312 T CB 1.547 70.419 68.868 0.007 0.000 0.994 312 T HN -0.061 nan 8.240 nan 0.000 0.479 313 P HA -0.259 nan 4.420 nan 0.000 0.219 313 P C 1.501 178.829 177.300 0.046 0.000 1.161 313 P CA 1.197 64.320 63.100 0.038 0.000 0.909 313 P CB 0.342 32.057 31.700 0.026 0.000 0.793 314 E N -1.096 119.127 120.200 0.039 0.000 2.077 314 E HA -0.198 4.152 4.350 -0.000 0.000 0.193 314 E C 1.767 178.404 176.600 0.061 0.000 0.989 314 E CA 1.035 57.460 56.400 0.042 0.000 0.800 314 E CB -0.429 29.291 29.700 0.033 0.000 0.746 314 E HN -0.002 nan 8.360 nan 0.000 0.452 315 L N 1.105 122.367 121.223 0.066 0.000 2.056 315 L HA -0.073 4.267 4.340 -0.000 0.000 0.207 315 L C 2.569 179.531 176.870 0.154 0.000 1.078 315 L CA 1.535 56.430 54.840 0.091 0.000 0.749 315 L CB -0.880 41.215 42.059 0.060 0.000 0.901 315 L HN 0.113 nan 8.230 nan 0.000 0.433 316 R N -0.602 119.988 120.500 0.150 0.000 2.081 316 R HA -0.175 4.165 4.340 -0.000 0.000 0.235 316 R C 2.165 178.608 176.300 0.238 0.000 1.131 316 R CA 1.402 57.652 56.100 0.250 0.000 0.960 316 R CB -0.143 30.268 30.300 0.184 0.000 0.856 316 R HN 0.358 nan 8.270 nan 0.000 0.436 317 A N 0.878 123.773 122.820 0.126 0.000 1.858 317 A HA -0.236 4.083 4.320 -0.000 0.000 0.216 317 A C 1.829 179.441 177.584 0.046 0.000 1.190 317 A CA 2.009 54.084 52.037 0.063 0.000 0.617 317 A CB -0.779 18.244 19.000 0.038 0.000 0.827 317 A HN 0.497 nan 8.150 nan 0.000 0.443 318 D N -1.917 118.528 120.400 0.075 0.000 2.144 318 D HA -0.191 4.449 4.640 -0.000 0.000 0.199 318 D C 1.615 177.957 176.300 0.070 0.000 0.984 318 D CA 1.489 55.524 54.000 0.059 0.000 0.834 318 D CB -0.293 40.551 40.800 0.075 0.000 0.955 318 D HN 0.613 nan 8.370 nan 0.000 0.465 319 W N 0.807 122.076 121.300 -0.051 0.000 2.355 319 W HA -0.124 4.536 4.660 -0.000 0.000 0.309 319 W C 2.095 178.519 176.519 -0.158 0.000 1.206 319 W CA 1.521 58.805 57.345 -0.102 0.000 1.284 319 W CB -0.494 28.908 29.460 -0.097 0.000 1.145 319 W HN -0.049 nan 8.180 nan 0.000 0.502 320 M N 0.447 119.815 119.600 -0.386 0.000 2.159 320 M HA -0.171 4.309 4.480 -0.000 0.000 0.263 320 M C 2.327 178.357 176.300 -0.450 0.000 1.063 320 M CA 2.028 56.949 55.300 -0.631 0.000 1.110 320 M CB -0.934 31.467 32.600 -0.331 0.000 1.374 320 M HN 0.166 nan 8.290 nan 0.000 0.411 321 A N -0.055 122.610 122.820 -0.258 0.000 1.898 321 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 321 A C 1.991 179.446 177.584 -0.216 0.000 1.181 321 A CA 1.887 53.809 52.037 -0.192 0.000 0.620 321 A CB -0.701 18.236 19.000 -0.105 0.000 0.819 321 A HN 0.550 nan 8.150 nan 0.000 0.442 322 E N -0.755 119.315 120.200 -0.217 0.000 2.072 322 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 322 E C 1.878 178.285 176.600 -0.323 0.000 0.985 322 E CA 1.087 57.370 56.400 -0.195 0.000 0.801 322 E CB -0.147 29.493 29.700 -0.100 0.000 0.750 322 E HN 0.421 nan 8.360 nan 0.000 0.452 323 L N 1.499 122.412 121.223 -0.517 0.000 2.083 323 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 323 L C 2.178 178.716 176.870 -0.554 0.000 1.083 323 L CA 2.029 56.468 54.840 -0.668 0.000 0.752 323 L CB -0.467 40.992 42.059 -1.000 0.000 0.899 323 L HN 0.120 nan 8.230 nan 0.000 0.433 324 E N -0.117 119.819 120.200 -0.440 0.000 2.072 324 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 324 E C 2.088 178.542 176.600 -0.244 0.000 0.985 324 E CA 1.495 57.705 56.400 -0.317 0.000 0.801 324 E CB -0.355 29.194 29.700 -0.252 0.000 0.750 324 E HN 0.494 nan 8.360 nan 0.000 0.452 325 A N 0.218 122.906 122.820 -0.219 0.000 1.902 325 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 325 A C 2.521 180.014 177.584 -0.152 0.000 1.181 325 A CA 1.678 53.627 52.037 -0.147 0.000 0.623 325 A CB -0.848 18.086 19.000 -0.110 0.000 0.818 325 A HN 0.203 nan 8.150 nan 0.000 0.443 326 V N 0.073 119.833 119.914 -0.257 0.000 2.261 326 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 326 V C 2.650 178.612 176.094 -0.220 0.000 1.047 326 V CA 2.369 64.472 62.300 -0.329 0.000 1.015 326 V CB -0.822 30.589 31.823 -0.687 0.000 0.642 326 V HN 0.681 nan 8.190 nan 0.000 0.446 327 R N 0.180 120.506 120.500 -0.291 0.000 2.097 327 R HA -0.202 4.138 4.340 -0.000 0.000 0.236 327 R C 2.503 178.751 176.300 -0.086 0.000 1.135 327 R CA 2.317 58.304 56.100 -0.187 0.000 0.934 327 R CB -0.468 29.682 30.300 -0.249 0.000 0.846 327 R HN 0.538 nan 8.270 nan 0.000 0.431 328 S N -0.320 115.323 115.700 -0.096 0.000 2.370 328 S HA -0.117 4.353 4.470 -0.000 0.000 0.226 328 S C 1.908 176.496 174.600 -0.021 0.000 1.033 328 S CA 1.204 59.372 58.200 -0.054 0.000 1.011 328 S CB -0.577 62.585 63.200 -0.062 0.000 0.852 328 S HN 0.691 nan 8.310 nan 0.000 0.457 329 G N 1.800 110.593 108.800 -0.012 0.000 2.446 329 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.217 329 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.217 329 G C 1.397 176.329 174.900 0.052 0.000 1.168 329 G CA 0.987 46.105 45.100 0.030 0.000 0.771 329 G HN 0.399 nan 8.290 nan 0.000 0.551 330 M N -0.228 119.414 119.600 0.071 0.000 2.117 330 M HA 0.045 4.525 4.480 -0.000 0.000 0.262 330 M C 2.609 178.938 176.300 0.049 0.000 1.065 330 M CA 0.972 56.323 55.300 0.085 0.000 1.114 330 M CB -0.429 32.242 32.600 0.119 0.000 1.361 330 M HN 0.191 nan 8.290 nan 0.000 0.408 331 L N -0.048 121.194 121.223 0.032 0.000 2.083 331 L HA -0.238 4.101 4.340 -0.000 0.000 0.209 331 L C 2.829 179.707 176.870 0.013 0.000 1.083 331 L CA 1.364 56.217 54.840 0.021 0.000 0.752 331 L CB -0.359 41.705 42.059 0.009 0.000 0.899 331 L HN 0.281 nan 8.230 nan 0.000 0.433 332 R N -0.069 120.437 120.500 0.011 0.000 2.081 332 R HA -0.181 4.159 4.340 -0.000 0.000 0.235 332 R C 2.285 178.588 176.300 0.005 0.000 1.131 332 R CA 1.490 57.593 56.100 0.005 0.000 0.960 332 R CB -0.301 30.002 30.300 0.006 0.000 0.856 332 R HN 0.364 nan 8.270 nan 0.000 0.436 333 L N 0.424 121.656 121.223 0.015 0.000 2.042 333 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 333 L C 2.771 179.641 176.870 -0.001 0.000 1.076 333 L CA 1.617 56.463 54.840 0.010 0.000 0.749 333 L CB -0.429 41.645 42.059 0.024 0.000 0.893 333 L HN 0.228 nan 8.230 nan 0.000 0.432 334 R N 0.054 120.557 120.500 0.006 0.000 2.083 334 R HA -0.194 4.146 4.340 -0.000 0.000 0.237 334 R C 2.148 178.432 176.300 -0.026 0.000 1.137 334 R CA 1.662 57.760 56.100 -0.003 0.000 0.951 334 R CB -0.478 29.832 30.300 0.017 0.000 0.851 334 R HN 0.485 nan 8.270 nan 0.000 0.434 335 E N 0.851 121.040 120.200 -0.019 0.000 2.077 335 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 335 E C 2.211 178.792 176.600 -0.033 0.000 0.989 335 E CA 1.094 57.478 56.400 -0.026 0.000 0.800 335 E CB -0.013 29.677 29.700 -0.017 0.000 0.746 335 E HN 0.424 nan 8.360 nan 0.000 0.452 336 Q N 0.469 120.253 119.800 -0.028 0.000 2.020 336 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 336 Q C 2.392 178.363 176.000 -0.049 0.000 0.982 336 Q CA 0.936 56.720 55.803 -0.032 0.000 0.838 336 Q CB -0.213 28.510 28.738 -0.024 0.000 0.899 336 Q HN 0.280 nan 8.270 nan 0.000 0.423 337 L N 0.717 121.907 121.223 -0.055 0.000 2.042 337 L HA -0.183 4.156 4.340 -0.000 0.000 0.210 337 L C 2.206 179.012 176.870 -0.106 0.000 1.076 337 L CA 2.076 56.867 54.840 -0.082 0.000 0.749 337 L CB -1.057 40.957 42.059 -0.075 0.000 0.893 337 L HN 0.203 nan 8.230 nan 0.000 0.432 338 A N -0.114 122.649 122.820 -0.096 0.000 1.883 338 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 338 A C 2.375 179.917 177.584 -0.071 0.000 1.186 338 A CA 1.730 53.707 52.037 -0.100 0.000 0.624 338 A CB -1.355 17.588 19.000 -0.094 0.000 0.822 338 A HN 0.518 nan 8.150 nan 0.000 0.444 339 G N -0.604 108.162 108.800 -0.056 0.000 2.433 339 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.216 339 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.216 339 G C 1.450 176.321 174.900 -0.049 0.000 1.186 339 G CA 1.378 46.453 45.100 -0.042 0.000 0.779 339 G HN 0.557 nan 8.290 nan 0.000 0.543 340 E N 0.333 120.494 120.200 -0.064 0.000 2.049 340 E HA -0.097 4.253 4.350 -0.000 0.000 0.198 340 E C 2.554 179.099 176.600 -0.092 0.000 1.007 340 E CA 0.948 57.304 56.400 -0.073 0.000 0.809 340 E CB -0.473 29.176 29.700 -0.085 0.000 0.749 340 E HN 0.427 nan 8.360 nan 0.000 0.450 341 L N 0.043 121.187 121.223 -0.131 0.000 2.083 341 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 341 L C 2.803 179.637 176.870 -0.062 0.000 1.083 341 L CA 1.528 56.260 54.840 -0.181 0.000 0.752 341 L CB -0.421 41.431 42.059 -0.345 0.000 0.899 341 L HN 0.183 nan 8.230 nan 0.000 0.433 342 R N 0.293 120.781 120.500 -0.020 0.000 2.083 342 R HA -0.205 4.135 4.340 -0.000 0.000 0.237 342 R C 1.840 178.146 176.300 0.009 0.000 1.137 342 R CA 2.183 58.296 56.100 0.021 0.000 0.951 342 R CB -0.195 30.109 30.300 0.006 0.000 0.851 342 R HN 0.330 nan 8.270 nan 0.000 0.434 343 D N 0.590 120.983 120.400 -0.013 0.000 2.097 343 D HA -0.168 4.472 4.640 -0.000 0.000 0.195 343 D C 2.032 178.324 176.300 -0.012 0.000 0.989 343 D CA 1.226 55.218 54.000 -0.013 0.000 0.827 343 D CB -0.234 40.553 40.800 -0.022 0.000 0.966 343 D HN 0.301 nan 8.370 nan 0.000 0.456 344 L N 0.793 121.999 121.223 -0.027 0.000 2.072 344 L HA -0.108 4.232 4.340 -0.000 0.000 0.205 344 L C 2.466 179.336 176.870 0.000 0.000 1.079 344 L CA 1.300 56.124 54.840 -0.028 0.000 0.752 344 L CB -0.402 41.618 42.059 -0.064 0.000 0.906 344 L HN 0.078 nan 8.230 nan 0.000 0.436 345 S N -0.722 114.994 115.700 0.027 0.000 2.446 345 S HA 0.053 4.523 4.470 -0.000 0.000 0.225 345 S C 1.629 176.271 174.600 0.070 0.000 1.016 345 S CA 0.460 58.712 58.200 0.087 0.000 0.943 345 S CB 0.067 63.395 63.200 0.213 0.000 0.786 345 S HN 0.503 nan 8.310 nan 0.000 0.508 346 G N 1.100 109.929 108.800 0.048 0.000 2.198 346 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.260 346 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.260 346 G C 0.134 175.058 174.900 0.041 0.000 1.025 346 G CA 0.599 45.719 45.100 0.035 0.000 0.769 346 G HN 1.613 nan 8.290 nan 0.000 0.507 347 S N -2.263 113.473 115.700 0.060 0.000 2.752 347 S HA 0.721 5.191 4.470 -0.000 0.000 0.284 347 S C -0.593 174.047 174.600 0.066 0.000 1.189 347 S CA -0.195 58.037 58.200 0.053 0.000 0.835 347 S CB 1.995 65.226 63.200 0.052 0.000 1.192 347 S HN -0.040 nan 8.310 nan 0.000 0.506 348 D N -0.316 120.108 120.400 0.040 0.000 2.650 348 D HA 0.285 4.925 4.640 -0.000 0.000 0.265 348 D C 1.080 177.385 176.300 0.008 0.000 1.339 348 D CA -0.100 53.921 54.000 0.036 0.000 0.816 348 D CB 0.367 41.175 40.800 0.013 0.000 1.091 348 D HN 0.393 nan 8.370 nan 0.000 0.483 349 R N -0.022 120.452 120.500 -0.044 0.000 2.103 349 R HA -0.107 4.233 4.340 -0.000 0.000 0.242 349 R C 1.158 177.355 176.300 -0.171 0.000 1.142 349 R CA 1.160 57.154 56.100 -0.178 0.000 0.960 349 R CB -0.194 29.863 30.300 -0.404 0.000 0.858 349 R HN 0.112 nan 8.270 nan 0.000 0.439 350 F N 0.123 120.070 119.950 -0.004 0.000 2.754 350 F HA 0.137 4.664 4.527 -0.000 0.000 0.303 350 F C 2.075 177.529 175.800 -0.577 0.000 1.196 350 F CA 0.183 57.979 58.000 -0.340 0.000 1.416 350 F CB -0.345 38.486 39.000 -0.282 0.000 1.092 350 F HN 0.098 nan 8.300 nan 0.000 0.541 351 G N 1.073 109.787 108.800 -0.144 0.000 2.442 351 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.219 351 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.219 351 G C 1.602 176.377 174.900 -0.207 0.000 1.141 351 G CA 0.989 46.011 45.100 -0.130 0.000 0.763 351 G HN 0.522 nan 8.290 nan 0.000 0.554 352 F N 1.220 121.112 119.950 -0.097 0.000 2.225 352 F HA -0.147 4.380 4.527 -0.000 0.000 0.302 352 F C 2.215 177.795 175.800 -0.367 0.000 1.068 352 F CA 0.959 58.806 58.000 -0.255 0.000 1.327 352 F CB -1.065 37.758 39.000 -0.294 0.000 1.043 352 F HN 0.017 nan 8.300 nan 0.000 0.506 353 V N 1.135 120.616 119.914 -0.721 0.000 2.392 353 V HA -0.287 3.833 4.120 -0.000 0.000 0.249 353 V C 2.859 178.881 176.094 -0.121 0.000 1.059 353 V CA 1.835 63.927 62.300 -0.346 0.000 1.051 353 V CB -1.510 30.093 31.823 -0.367 0.000 0.658 353 V HN 0.609 nan 8.190 nan 0.000 0.455 354 A N -0.532 122.212 122.820 -0.127 0.000 2.067 354 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 354 A C 2.062 179.647 177.584 0.002 0.000 1.156 354 A CA 1.149 53.159 52.037 -0.045 0.000 0.683 354 A CB -0.239 18.731 19.000 -0.049 0.000 0.808 354 A HN 0.516 nan 8.150 nan 0.000 0.455 355 E N -0.395 119.803 120.200 -0.003 0.000 2.250 355 E HA 0.087 4.437 4.350 -0.000 0.000 0.192 355 E C 0.211 176.912 176.600 0.169 0.000 0.986 355 E CA 0.169 56.604 56.400 0.058 0.000 0.849 355 E CB -0.215 29.512 29.700 0.044 0.000 0.797 355 E HN 0.778 nan 8.360 nan 0.000 0.482 356 H N 0.049 119.205 119.070 0.143 0.000 2.771 356 H HA 0.267 4.823 4.556 -0.000 0.000 0.364 356 H C 0.038 175.432 175.328 0.111 0.000 1.133 356 H CA -0.208 55.936 56.048 0.159 0.000 1.423 356 H CB 0.676 30.568 29.762 0.216 0.000 1.425 356 H HN -0.209 nan 8.280 nan 0.000 0.606 357 R N 0.843 121.480 120.500 0.228 0.000 2.628 357 R HA 0.484 4.824 4.340 -0.000 0.000 0.288 357 R C -0.629 175.723 176.300 0.087 0.000 0.980 357 R CA 0.355 56.539 56.100 0.140 0.000 0.891 357 R CB 1.724 32.103 30.300 0.132 0.000 1.188 357 R HN 0.963 nan 8.270 nan 0.000 0.450 358 G N 2.039 110.860 108.800 0.036 0.000 2.298 358 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.309 358 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.309 358 G C -0.163 174.604 174.900 -0.222 0.000 1.279 358 G CA -0.110 44.932 45.100 -0.096 0.000 1.042 358 G HN 0.584 nan 8.290 nan 0.000 0.480 359 M N -0.655 118.577 119.600 -0.613 0.000 2.334 359 M HA 0.468 4.948 4.480 -0.000 0.000 0.266 359 M C 0.363 176.225 176.300 -0.729 0.000 1.082 359 M CA 1.188 56.001 55.300 -0.811 0.000 1.141 359 M CB -0.010 31.716 32.600 -1.456 0.000 1.380 359 M HN 0.346 nan 8.290 nan 0.000 0.440 360 F N -1.383 118.476 119.950 -0.153 0.000 2.518 360 F HA 0.685 5.212 4.527 -0.000 0.000 0.338 360 F C 0.100 175.902 175.800 0.004 0.000 1.065 360 F CA -1.181 56.781 58.000 -0.063 0.000 1.012 360 F CB 1.233 40.180 39.000 -0.088 0.000 1.297 360 F HN -0.207 nan 8.300 nan 0.000 0.489 361 S N 0.112 115.982 115.700 0.283 0.000 2.583 361 S HA 0.412 4.882 4.470 -0.000 0.000 0.294 361 S C -1.503 173.253 174.600 0.261 0.000 1.121 361 S CA -0.877 57.500 58.200 0.295 0.000 0.910 361 S CB 0.884 64.338 63.200 0.423 0.000 1.102 361 S HN 0.593 nan 8.310 nan 0.000 0.451 362 R N 4.132 124.755 120.500 0.206 0.000 2.346 362 R HA 0.457 4.797 4.340 -0.000 0.000 0.311 362 R C 0.806 177.289 176.300 0.306 0.000 0.983 362 R CA -0.560 55.627 56.100 0.146 0.000 0.880 362 R CB 1.030 31.285 30.300 -0.075 0.000 1.100 362 R HN 0.614 nan 8.270 nan 0.000 0.453 363 L N 0.577 121.986 121.223 0.309 0.000 2.004 363 L HA 0.067 4.407 4.340 -0.000 0.000 0.205 363 L C 1.504 178.539 176.870 0.276 0.000 1.089 363 L CA 1.738 56.839 54.840 0.436 0.000 0.756 363 L CB -0.190 42.092 42.059 0.371 0.000 0.900 363 L HN 0.961 nan 8.230 nan 0.000 0.440 364 G N -1.855 107.066 108.800 0.203 0.000 3.859 364 G HA2 0.002 3.962 3.960 -0.000 0.000 0.220 364 G HA3 0.002 3.962 3.960 -0.000 0.000 0.220 364 G C 0.288 175.264 174.900 0.126 0.000 0.892 364 G CA -0.097 45.084 45.100 0.136 0.000 0.858 364 G HN 0.452 nan 8.290 nan 0.000 0.625 365 A N 1.812 124.721 122.820 0.149 0.000 2.567 365 A HA 0.503 4.823 4.320 -0.000 0.000 0.240 365 A C 1.207 178.846 177.584 0.092 0.000 1.053 365 A CA 1.364 53.474 52.037 0.122 0.000 0.755 365 A CB -0.231 18.844 19.000 0.124 0.000 0.978 365 A HN 1.597 nan 8.150 nan 0.000 0.507 366 T N 1.421 116.023 114.554 0.079 0.000 2.813 366 T HA 0.366 4.716 4.350 -0.000 0.000 0.297 366 T C -1.206 173.530 174.700 0.059 0.000 1.036 366 T CA -0.767 61.370 62.100 0.062 0.000 1.044 366 T CB 0.554 69.454 68.868 0.054 0.000 0.993 366 T HN 0.501 nan 8.240 nan 0.000 0.535 367 P HA -0.244 nan 4.420 nan 0.000 0.216 367 P C 1.266 178.595 177.300 0.047 0.000 1.157 367 P CA 1.955 65.082 63.100 0.045 0.000 0.880 367 P CB 0.022 31.743 31.700 0.035 0.000 0.791 368 E N 0.579 120.806 120.200 0.044 0.000 2.077 368 E HA -0.216 4.134 4.350 -0.000 0.000 0.193 368 E C 2.277 178.908 176.600 0.052 0.000 0.989 368 E CA 1.129 57.554 56.400 0.042 0.000 0.800 368 E CB -1.206 28.515 29.700 0.036 0.000 0.746 368 E HN 0.304 nan 8.360 nan 0.000 0.452 369 Q N 0.734 120.572 119.800 0.063 0.000 2.050 369 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 369 Q C 2.515 178.569 176.000 0.090 0.000 0.980 369 Q CA 1.775 57.627 55.803 0.081 0.000 0.840 369 Q CB -0.216 28.575 28.738 0.088 0.000 0.898 369 Q HN 0.231 nan 8.270 nan 0.000 0.424 370 V N 1.645 121.608 119.914 0.083 0.000 2.282 370 V HA -0.335 3.785 4.120 -0.000 0.000 0.249 370 V C 2.342 178.485 176.094 0.082 0.000 1.057 370 V CA 2.268 64.619 62.300 0.086 0.000 1.032 370 V CB -0.631 31.239 31.823 0.078 0.000 0.645 370 V HN 0.360 nan 8.190 nan 0.000 0.447 371 K N -0.020 120.420 120.400 0.068 0.000 2.032 371 K HA -0.209 4.111 4.320 -0.000 0.000 0.209 371 K C 2.389 179.013 176.600 0.039 0.000 1.048 371 K CA 1.613 57.934 56.287 0.057 0.000 0.927 371 K CB -0.184 32.343 32.500 0.044 0.000 0.712 371 K HN 0.356 nan 8.250 nan 0.000 0.441 372 R N 0.451 120.974 120.500 0.038 0.000 2.091 372 R HA -0.127 4.213 4.340 -0.000 0.000 0.238 372 R C 2.413 178.714 176.300 0.001 0.000 1.136 372 R CA 1.891 57.994 56.100 0.005 0.000 0.959 372 R CB -0.546 29.771 30.300 0.028 0.000 0.856 372 R HN 0.303 nan 8.270 nan 0.000 0.437 373 I N 1.763 122.414 120.570 0.134 0.000 2.118 373 I HA -0.374 3.796 4.170 -0.000 0.000 0.241 373 I C 2.529 178.733 176.117 0.145 0.000 1.070 373 I CA 1.843 63.334 61.300 0.318 0.000 1.327 373 I CB -0.440 37.698 38.000 0.231 0.000 1.034 373 I HN 0.282 nan 8.210 nan 0.000 0.405 374 K N 1.121 121.528 120.400 0.012 0.000 2.062 374 K HA -0.129 4.191 4.320 -0.000 0.000 0.205 374 K C 1.652 178.161 176.600 -0.153 0.000 1.051 374 K CA 1.332 57.527 56.287 -0.152 0.000 0.941 374 K CB -0.473 31.995 32.500 -0.053 0.000 0.719 374 K HN 0.313 nan 8.250 nan 0.000 0.440 375 E N 1.022 121.179 120.200 -0.072 0.000 2.409 375 E HA -0.164 4.186 4.350 -0.000 0.000 0.198 375 E C 1.471 177.985 176.600 -0.143 0.000 1.024 375 E CA 1.333 57.691 56.400 -0.070 0.000 0.861 375 E CB 0.127 29.801 29.700 -0.043 0.000 0.788 375 E HN 0.702 nan 8.360 nan 0.000 0.521 376 E N -1.137 118.911 120.200 -0.253 0.000 2.502 376 E HA 0.008 4.358 4.350 -0.000 0.000 0.206 376 E C 1.209 177.590 176.600 -0.364 0.000 0.821 376 E CA -0.093 56.084 56.400 -0.371 0.000 1.354 376 E CB -0.376 28.976 29.700 -0.581 0.000 1.336 376 E HN 0.085 nan 8.360 nan 0.000 0.675 377 F N 1.836 121.734 119.950 -0.087 0.000 2.743 377 F HA 0.388 4.915 4.527 -0.000 0.000 0.297 377 F C 1.798 177.517 175.800 -0.134 0.000 1.131 377 F CA 0.839 58.785 58.000 -0.090 0.000 1.426 377 F CB 0.516 39.469 39.000 -0.078 0.000 1.116 377 F HN 0.324 nan 8.300 nan 0.000 0.583 378 G N 1.310 110.054 108.800 -0.093 0.000 2.168 378 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.263 378 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.263 378 G C 0.403 175.047 174.900 -0.425 0.000 0.977 378 G CA 0.336 45.274 45.100 -0.269 0.000 0.659 378 G HN 0.459 nan 8.290 nan 0.000 0.533 379 I N 0.950 121.357 120.570 -0.272 0.000 2.297 379 I HA 0.602 4.772 4.170 -0.000 0.000 0.291 379 I C -0.322 175.671 176.117 -0.207 0.000 1.033 379 I CA -1.438 59.766 61.300 -0.159 0.000 1.253 379 I CB 0.171 38.159 38.000 -0.020 0.000 1.396 379 I HN 0.082 nan 8.210 nan 0.000 0.476 380 Y N 8.009 128.387 120.300 0.130 0.000 2.350 380 Y HA 0.475 5.025 4.550 -0.000 0.000 0.340 380 Y C 0.385 176.320 175.900 0.058 0.000 1.006 380 Y CA -0.767 57.393 58.100 0.100 0.000 1.166 380 Y CB 1.034 39.568 38.460 0.124 0.000 1.168 380 Y HN 0.537 nan 8.280 nan 0.000 0.502 381 M N 0.714 120.427 119.600 0.189 0.000 2.518 381 M HA 0.752 5.232 4.480 -0.000 0.000 0.300 381 M C -1.410 174.956 176.300 0.110 0.000 1.175 381 M CA -1.247 54.130 55.300 0.128 0.000 0.890 381 M CB 1.589 34.251 32.600 0.103 0.000 1.710 381 M HN 0.192 nan 8.290 nan 0.000 0.453 382 V N 2.707 122.666 119.914 0.075 0.000 2.788 382 V HA 0.042 4.162 4.120 -0.000 0.000 0.307 382 V C 1.725 177.845 176.094 0.043 0.000 1.069 382 V CA 1.290 63.615 62.300 0.042 0.000 1.173 382 V CB 0.647 32.467 31.823 -0.005 0.000 0.925 382 V HN 1.151 nan 8.190 nan 0.000 0.492 383 G N 3.211 112.032 108.800 0.035 0.000 2.550 383 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.222 383 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.222 383 G C 0.867 175.787 174.900 0.032 0.000 1.113 383 G CA 1.039 46.160 45.100 0.036 0.000 0.748 383 G HN 0.999 nan 8.290 nan 0.000 0.585 384 D N -0.482 119.929 120.400 0.017 0.000 2.325 384 D HA 0.057 4.697 4.640 -0.000 0.000 0.234 384 D C 1.268 177.586 176.300 0.031 0.000 1.122 384 D CA 0.829 54.838 54.000 0.015 0.000 0.850 384 D CB -0.615 40.177 40.800 -0.013 0.000 0.921 384 D HN 0.605 nan 8.370 nan 0.000 0.513 385 S N -1.209 114.522 115.700 0.052 0.000 3.593 385 S HA -0.302 4.168 4.470 -0.000 0.000 0.301 385 S C 0.261 174.912 174.600 0.085 0.000 1.209 385 S CA 0.299 58.548 58.200 0.081 0.000 0.878 385 S CB -2.483 60.781 63.200 0.105 0.000 1.000 385 S HN 0.669 nan 8.310 nan 0.000 0.578 386 R N 1.475 122.006 120.500 0.052 0.000 2.298 386 R HA 0.650 4.990 4.340 -0.000 0.000 0.310 386 R C 0.528 176.894 176.300 0.111 0.000 1.068 386 R CA -0.105 56.029 56.100 0.055 0.000 0.957 386 R CB 0.285 30.560 30.300 -0.043 0.000 1.003 386 R HN 0.734 nan 8.270 nan 0.000 0.454 387 I N 1.243 121.914 120.570 0.168 0.000 2.569 387 I HA 0.398 4.568 4.170 -0.000 0.000 0.296 387 I C -0.800 175.455 176.117 0.231 0.000 1.028 387 I CA -1.149 60.254 61.300 0.170 0.000 1.082 387 I CB 2.043 40.120 38.000 0.129 0.000 1.264 387 I HN 0.420 nan 8.210 nan 0.000 0.429 388 N N 5.357 124.172 118.700 0.192 0.000 2.469 388 N HA 0.194 4.934 4.740 -0.000 0.000 0.239 388 N C 0.657 176.187 175.510 0.033 0.000 1.053 388 N CA -0.626 52.496 53.050 0.120 0.000 0.937 388 N CB 0.919 39.469 38.487 0.105 0.000 1.163 388 N HN 0.834 nan 8.380 nan 0.000 0.509 389 I N 2.327 122.906 120.570 0.014 0.000 2.423 389 I HA -0.069 4.101 4.170 -0.000 0.000 0.254 389 I C 1.739 177.862 176.117 0.011 0.000 1.151 389 I CA 1.286 62.597 61.300 0.019 0.000 1.421 389 I CB -0.649 37.369 38.000 0.029 0.000 1.079 389 I HN 0.395 nan 8.210 nan 0.000 0.431 390 A N 1.227 124.048 122.820 0.002 0.000 2.178 390 A HA 0.133 4.453 4.320 -0.000 0.000 0.218 390 A C 2.295 179.851 177.584 -0.047 0.000 1.157 390 A CA 1.173 53.225 52.037 0.026 0.000 0.689 390 A CB -1.516 17.534 19.000 0.082 0.000 0.787 390 A HN 0.583 nan 8.150 nan 0.000 0.465 391 G N -1.301 107.473 108.800 -0.044 0.000 2.813 391 G HA2 0.333 4.293 3.960 -0.000 0.000 0.209 391 G HA3 0.333 4.293 3.960 -0.000 0.000 0.209 391 G C 0.481 175.358 174.900 -0.039 0.000 1.150 391 G CA 0.004 45.067 45.100 -0.062 0.000 0.785 391 G HN 0.271 nan 8.290 nan 0.000 0.535 392 L N 0.661 121.871 121.223 -0.021 0.000 2.400 392 L HA 0.544 4.884 4.340 -0.000 0.000 0.264 392 L C 0.019 176.881 176.870 -0.013 0.000 1.061 392 L CA -0.503 54.328 54.840 -0.016 0.000 0.799 392 L CB 1.096 43.147 42.059 -0.013 0.000 1.240 392 L HN 0.443 nan 8.230 nan 0.000 0.461 393 N N -2.314 116.379 118.700 -0.012 0.000 3.179 393 N HA 0.136 4.876 4.740 -0.000 0.000 0.250 393 N C -0.065 175.438 175.510 -0.010 0.000 1.507 393 N CA -0.581 52.465 53.050 -0.006 0.000 0.883 393 N CB 0.303 38.788 38.487 -0.004 0.000 1.435 393 N HN 0.329 nan 8.380 nan 0.000 0.532 394 D N -0.169 120.227 120.400 -0.007 0.000 2.158 394 D HA -0.167 4.473 4.640 -0.000 0.000 0.197 394 D C 0.583 176.874 176.300 -0.014 0.000 0.995 394 D CA 1.833 55.827 54.000 -0.010 0.000 0.846 394 D CB -0.288 40.508 40.800 -0.005 0.000 0.941 394 D HN 0.546 nan 8.370 nan 0.000 0.456 395 N N 0.248 118.942 118.700 -0.010 0.000 2.092 395 N HA -0.119 4.620 4.740 -0.000 0.000 0.189 395 N C 2.002 177.501 175.510 -0.018 0.000 1.040 395 N CA 2.038 55.081 53.050 -0.011 0.000 0.845 395 N CB -0.892 37.593 38.487 -0.003 0.000 1.017 395 N HN 0.282 nan 8.380 nan 0.000 0.426 396 T N -1.070 113.473 114.554 -0.017 0.000 2.995 396 T HA 0.099 4.449 4.350 -0.000 0.000 0.269 396 T C 1.904 176.579 174.700 -0.042 0.000 1.091 396 T CA 0.410 62.495 62.100 -0.024 0.000 1.128 396 T CB -0.494 68.366 68.868 -0.013 0.000 0.891 396 T HN 0.103 nan 8.240 nan 0.000 0.492 397 I N 2.585 123.130 120.570 -0.042 0.000 2.099 397 I HA -0.093 4.077 4.170 -0.000 0.000 0.239 397 I C -0.089 175.981 176.117 -0.077 0.000 1.066 397 I CA 1.456 62.722 61.300 -0.057 0.000 1.324 397 I CB -1.100 36.871 38.000 -0.048 0.000 1.037 397 I HN 0.235 nan 8.210 nan 0.000 0.401 398 P HA -0.161 nan 4.420 nan 0.000 0.218 398 P C 1.862 179.103 177.300 -0.098 0.000 1.149 398 P CA 1.734 64.786 63.100 -0.080 0.000 0.817 398 P CB -0.118 31.547 31.700 -0.058 0.000 0.785 399 I N -0.669 119.847 120.570 -0.089 0.000 2.179 399 I HA -0.238 3.932 4.170 -0.000 0.000 0.242 399 I C 2.596 178.611 176.117 -0.169 0.000 1.088 399 I CA 1.071 62.305 61.300 -0.111 0.000 1.357 399 I CB -0.893 37.062 38.000 -0.074 0.000 1.051 399 I HN -0.068 nan 8.210 nan 0.000 0.409 400 L N 1.547 122.684 121.223 -0.144 0.000 1.994 400 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 400 L C 2.628 179.375 176.870 -0.204 0.000 1.071 400 L CA 2.247 56.988 54.840 -0.165 0.000 0.745 400 L CB -0.988 41.005 42.059 -0.110 0.000 0.892 400 L HN 0.186 nan 8.230 nan 0.000 0.431 401 A N -0.268 122.440 122.820 -0.187 0.000 1.884 401 A HA -0.299 4.021 4.320 -0.000 0.000 0.219 401 A C 2.532 179.983 177.584 -0.220 0.000 1.197 401 A CA 2.316 54.221 52.037 -0.221 0.000 0.637 401 A CB -0.756 18.133 19.000 -0.185 0.000 0.827 401 A HN 0.555 nan 8.150 nan 0.000 0.450 402 R N -1.037 119.347 120.500 -0.194 0.000 2.081 402 R HA -0.077 4.263 4.340 -0.000 0.000 0.235 402 R C 2.533 178.678 176.300 -0.259 0.000 1.131 402 R CA 1.163 57.153 56.100 -0.184 0.000 0.960 402 R CB -0.439 29.771 30.300 -0.150 0.000 0.856 402 R HN 0.543 nan 8.270 nan 0.000 0.436 403 A N 1.634 124.219 122.820 -0.391 0.000 1.908 403 A HA -0.184 4.135 4.320 -0.000 0.000 0.218 403 A C 2.141 179.491 177.584 -0.391 0.000 1.181 403 A CA 1.700 53.330 52.037 -0.678 0.000 0.627 403 A CB -0.684 17.798 19.000 -0.862 0.000 0.818 403 A HN 0.544 nan 8.150 nan 0.000 0.445 404 I N -2.797 117.624 120.570 -0.248 0.000 2.546 404 I HA -0.118 4.052 4.170 -0.000 0.000 0.255 404 I C 1.792 177.864 176.117 -0.076 0.000 1.163 404 I CA 1.034 62.257 61.300 -0.130 0.000 1.457 404 I CB -0.201 37.712 38.000 -0.146 0.000 1.092 404 I HN 0.120 nan 8.210 nan 0.000 0.434 405 I N 1.818 122.320 120.570 -0.113 0.000 2.202 405 I HA -0.165 4.005 4.170 -0.000 0.000 0.242 405 I C 2.627 178.740 176.117 -0.007 0.000 1.091 405 I CA 1.373 62.645 61.300 -0.047 0.000 1.368 405 I CB -1.380 36.581 38.000 -0.065 0.000 1.058 405 I HN 0.336 nan 8.210 nan 0.000 0.410 406 E N 0.411 120.593 120.200 -0.029 0.000 2.150 406 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 406 E C 2.287 178.944 176.600 0.095 0.000 0.985 406 E CA 0.707 57.132 56.400 0.041 0.000 0.814 406 E CB -0.583 29.158 29.700 0.068 0.000 0.752 406 E HN 0.270 nan 8.360 nan 0.000 0.466 407 V N 0.157 120.125 119.914 0.090 0.000 3.217 407 V HA -0.005 4.115 4.120 -0.000 0.000 0.264 407 V C 1.250 177.401 176.094 0.095 0.000 1.135 407 V CA 1.195 63.571 62.300 0.126 0.000 1.142 407 V CB -0.903 31.003 31.823 0.138 0.000 0.754 407 V HN 0.396 nan 8.190 nan 0.000 0.484 408 G N -0.043 108.806 108.800 0.081 0.000 2.627 408 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.312 408 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.312 408 G C 0.125 175.085 174.900 0.100 0.000 1.299 408 G CA 0.750 45.902 45.100 0.086 0.000 0.989 408 G HN 1.437 nan 8.290 nan 0.000 0.547 409 V N 0.000 119.965 119.914 0.085 0.000 2.409 409 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 409 V CA 0.000 62.347 62.300 0.079 0.000 1.235 409 V CB 0.000 31.880 31.823 0.094 0.000 1.184 409 V HN 0.000 nan 8.190 nan 0.000 0.556