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 1arg_1_A DATA FIRST_RESID 5 DATA SEQUENCE MFENITAAPA DPILGLADLF RADERPGKIN LGIGVYKDET GKTPVLTSVK DATA SEQUENCE KAEQYLLENE XTTKNYLGID GIPEFGRCTQ ELLFGKGSAL INDKRARTAQ DATA SEQUENCE TPGGTGALRV AADFLAKNTS VKXXRXXXVW VSNPSWPNHK SVFNSAGLXE DATA SEQUENCE VREYAYYDAE NHTLDFDALI NSLNEAQAGD VVLFHGCCHN PTGIDPTLEQ DATA SEQUENCE WQTLAQLSVE KGWLPLFDFA YQGFARGXLE EDAEGLRAFA AMHKELIVAS DATA SEQUENCE SYSKNFGLYN ERVGACTLVA ADSETVDRAF SQMKAAIRAN YSNPPAHGAS DATA SEQUENCE VVATILSNDA LRAIWEQELT DMRQRIQRMR QLFVNTLQEK GANRDFSFII DATA SEQUENCE KQNGMFSFSG LTKEQVLRLR EEFGVYAVAS GRVNVAGMTP DNMAPLCEAI DATA SEQUENCE VXAVL 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 0.000 176.182 176.300 -0.197 0.000 1.140 5 M CA 0.000 55.090 55.300 -0.350 0.000 0.988 5 M CB 0.000 32.245 32.600 -0.591 0.000 1.302 6 F N 0.724 120.674 119.950 -0.001 0.000 2.678 6 F HA 0.402 4.928 4.527 -0.001 0.000 0.305 6 F C 1.436 177.235 175.800 -0.001 0.000 1.090 6 F CA 0.137 58.137 58.000 -0.001 0.000 1.272 6 F CB -0.606 38.394 39.000 -0.001 0.000 1.060 6 F HN 0.087 nan 8.300 nan 0.000 0.576 7 E N 0.669 120.942 120.200 0.121 0.000 2.136 7 E HA -0.272 4.078 4.350 -0.001 0.000 0.202 7 E C 1.236 177.878 176.600 0.071 0.000 1.019 7 E CA 1.765 58.211 56.400 0.076 0.000 0.819 7 E CB -0.456 29.261 29.700 0.029 0.000 0.739 7 E HN 0.235 nan 8.360 nan 0.000 0.458 8 N N -0.406 118.336 118.700 0.070 0.000 2.268 8 N HA 0.138 4.878 4.740 -0.001 0.000 0.204 8 N C -0.661 174.881 175.510 0.054 0.000 1.124 8 N CA -0.048 53.033 53.050 0.051 0.000 0.838 8 N CB 0.348 38.856 38.487 0.036 0.000 0.994 8 N HN 0.074 nan 8.380 nan 0.000 0.489 9 I N 1.052 121.667 120.570 0.074 0.000 2.496 9 I HA 0.053 4.223 4.170 -0.001 0.000 0.285 9 I C 0.815 176.946 176.117 0.024 0.000 1.080 9 I CA -0.220 61.108 61.300 0.048 0.000 1.404 9 I CB 0.666 38.690 38.000 0.040 0.000 1.403 9 I HN 0.108 nan 8.210 nan 0.000 0.539 10 T N 2.915 117.475 114.554 0.011 0.000 2.928 10 T HA 0.639 4.988 4.350 -0.001 0.000 0.284 10 T C 0.107 174.803 174.700 -0.007 0.000 1.008 10 T CA -0.913 61.189 62.100 0.004 0.000 1.057 10 T CB 1.684 70.554 68.868 0.003 0.000 1.018 10 T HN 0.679 nan 8.240 nan 0.000 0.493 11 A N 1.761 124.577 122.820 -0.007 0.000 2.498 11 A HA 0.594 4.913 4.320 -0.001 0.000 0.239 11 A C 0.859 178.434 177.584 -0.015 0.000 1.068 11 A CA -0.275 51.754 52.037 -0.013 0.000 0.766 11 A CB -0.741 18.254 19.000 -0.009 0.000 1.003 11 A HN 1.461 nan 8.150 nan 0.000 0.497 12 A N 3.752 126.559 122.820 -0.021 0.000 2.354 12 A HA 0.632 4.952 4.320 -0.001 0.000 0.269 12 A C -1.757 175.816 177.584 -0.019 0.000 1.109 12 A CA -1.257 50.767 52.037 -0.023 0.000 0.800 12 A CB -0.479 18.503 19.000 -0.031 0.000 1.045 12 A HN 0.782 nan 8.150 nan 0.000 0.489 13 P HA 0.396 nan 4.420 nan 0.000 0.271 13 P C 0.016 177.306 177.300 -0.016 0.000 1.216 13 P CA -0.036 63.055 63.100 -0.015 0.000 0.776 13 P CB 0.701 32.391 31.700 -0.018 0.000 0.881 14 A N 2.308 125.123 122.820 -0.007 0.000 2.448 14 A HA 0.045 4.365 4.320 -0.001 0.000 0.239 14 A C 0.521 178.099 177.584 -0.010 0.000 1.080 14 A CA -0.238 51.797 52.037 -0.004 0.000 0.779 14 A CB -0.175 18.832 19.000 0.012 0.000 1.026 14 A HN 0.685 nan 8.150 nan 0.000 0.499 15 D N 1.631 122.024 120.400 -0.011 0.000 2.417 15 D HA 0.113 4.752 4.640 -0.001 0.000 0.250 15 D C -1.306 174.992 176.300 -0.003 0.000 1.166 15 D CA -1.255 52.732 54.000 -0.022 0.000 0.881 15 D CB 1.005 41.793 40.800 -0.020 0.000 1.164 15 D HN 0.206 nan 8.370 nan 0.000 0.467 16 P HA -0.101 nan 4.420 nan 0.000 0.218 16 P C 1.451 178.767 177.300 0.026 0.000 1.148 16 P CA 0.963 64.065 63.100 0.004 0.000 0.822 16 P CB 0.564 32.257 31.700 -0.013 0.000 0.784 17 I N -1.838 118.747 120.570 0.025 0.000 2.726 17 I HA -0.054 4.116 4.170 -0.001 0.000 0.243 17 I C 2.134 178.284 176.117 0.055 0.000 1.082 17 I CA 0.256 61.588 61.300 0.054 0.000 1.447 17 I CB -0.599 37.458 38.000 0.095 0.000 1.250 17 I HN -0.231 nan 8.210 nan 0.000 0.453 18 L N 1.099 122.351 121.223 0.048 0.000 2.191 18 L HA -0.086 4.254 4.340 -0.001 0.000 0.212 18 L C 2.305 179.197 176.870 0.036 0.000 1.103 18 L CA 1.724 56.588 54.840 0.039 0.000 0.769 18 L CB -1.154 40.924 42.059 0.032 0.000 0.908 18 L HN 0.261 nan 8.230 nan 0.000 0.438 19 G N -1.697 107.126 108.800 0.039 0.000 2.511 19 G HA2 -0.118 3.841 3.960 -0.001 0.000 0.217 19 G HA3 -0.118 3.841 3.960 -0.001 0.000 0.217 19 G C 1.631 176.581 174.900 0.083 0.000 1.133 19 G CA 0.097 45.226 45.100 0.048 0.000 0.792 19 G HN 0.315 nan 8.290 nan 0.000 0.539 20 L N 0.531 121.815 121.223 0.102 0.000 2.141 20 L HA -0.055 4.284 4.340 -0.001 0.000 0.209 20 L C 3.335 180.292 176.870 0.144 0.000 1.094 20 L CA 0.887 55.834 54.840 0.178 0.000 0.763 20 L CB -0.285 41.880 42.059 0.177 0.000 0.908 20 L HN 0.322 nan 8.230 nan 0.000 0.437 21 A N -0.183 122.677 122.820 0.067 0.000 1.940 21 A HA -0.241 4.079 4.320 -0.001 0.000 0.219 21 A C 1.914 179.539 177.584 0.068 0.000 1.176 21 A CA 1.905 53.962 52.037 0.034 0.000 0.631 21 A CB -0.441 18.560 19.000 0.002 0.000 0.814 21 A HN 0.361 nan 8.150 nan 0.000 0.446 22 D N 0.235 120.674 120.400 0.065 0.000 2.088 22 D HA -0.146 4.493 4.640 -0.001 0.000 0.191 22 D C 2.072 178.413 176.300 0.069 0.000 0.992 22 D CA 1.489 55.523 54.000 0.056 0.000 0.831 22 D CB -0.506 40.322 40.800 0.047 0.000 0.973 22 D HN 0.445 nan 8.370 nan 0.000 0.447 23 L N 0.021 121.312 121.223 0.112 0.000 1.978 23 L HA -0.235 4.104 4.340 -0.001 0.000 0.218 23 L C 2.563 179.472 176.870 0.064 0.000 1.075 23 L CA 1.253 56.185 54.840 0.153 0.000 0.767 23 L CB -0.699 41.553 42.059 0.321 0.000 0.890 23 L HN -0.018 nan 8.230 nan 0.000 0.434 24 F N 0.718 120.531 119.950 -0.228 0.000 2.087 24 F HA -0.281 4.245 4.527 -0.001 0.000 0.299 24 F C 2.776 178.401 175.800 -0.291 0.000 1.100 24 F CA 1.671 59.306 58.000 -0.609 0.000 1.226 24 F CB -0.170 38.424 39.000 -0.676 0.000 0.983 24 F HN -0.074 nan 8.300 nan 0.000 0.479 25 R N 0.093 120.590 120.500 -0.004 0.000 2.082 25 R HA -0.086 4.254 4.340 -0.001 0.000 0.228 25 R C 2.331 178.569 176.300 -0.103 0.000 1.140 25 R CA 1.285 57.363 56.100 -0.037 0.000 0.920 25 R CB -1.299 29.016 30.300 0.025 0.000 0.828 25 R HN 0.309 nan 8.270 nan 0.000 0.430 26 A N 1.662 124.450 122.820 -0.053 0.000 2.285 26 A HA -0.150 4.169 4.320 -0.001 0.000 0.214 26 A C 0.468 178.010 177.584 -0.070 0.000 1.188 26 A CA 0.857 52.867 52.037 -0.045 0.000 0.707 26 A CB -0.649 18.346 19.000 -0.009 0.000 0.771 26 A HN 0.258 nan 8.150 nan 0.000 0.488 27 D N -0.427 119.886 120.400 -0.145 0.000 2.249 27 D HA 0.267 4.907 4.640 -0.001 0.000 0.246 27 D C 0.611 176.807 176.300 -0.173 0.000 1.114 27 D CA -0.219 53.691 54.000 -0.150 0.000 0.854 27 D CB 0.908 41.584 40.800 -0.207 0.000 1.132 27 D HN 0.358 nan 8.370 nan 0.000 0.461 28 E N 1.937 122.075 120.200 -0.102 0.000 2.385 28 E HA 0.051 4.400 4.350 -0.001 0.000 0.194 28 E C 0.213 176.765 176.600 -0.080 0.000 1.013 28 E CA -0.017 56.331 56.400 -0.087 0.000 0.866 28 E CB 0.316 29.984 29.700 -0.054 0.000 0.832 28 E HN 0.299 nan 8.360 nan 0.000 0.500 29 R N 2.454 122.910 120.500 -0.074 0.000 2.549 29 R HA -0.048 4.292 4.340 -0.001 0.000 0.336 29 R C -1.676 174.591 176.300 -0.054 0.000 0.891 29 R CA -0.661 55.411 56.100 -0.045 0.000 1.102 29 R CB -0.138 30.154 30.300 -0.013 0.000 0.899 29 R HN 0.093 nan 8.270 nan 0.000 0.407 30 P HA -0.197 nan 4.420 nan 0.000 0.216 30 P C 1.007 178.304 177.300 -0.004 0.000 1.157 30 P CA 1.602 64.690 63.100 -0.020 0.000 0.880 30 P CB 0.114 31.811 31.700 -0.006 0.000 0.791 31 G N -0.121 108.691 108.800 0.019 0.000 3.383 31 G HA2 0.030 3.989 3.960 -0.001 0.000 0.251 31 G HA3 0.030 3.989 3.960 -0.001 0.000 0.251 31 G C 0.244 175.190 174.900 0.076 0.000 1.203 31 G CA -0.423 44.704 45.100 0.045 0.000 0.852 31 G HN 0.392 nan 8.290 nan 0.000 0.531 32 K N 0.531 120.960 120.400 0.048 0.000 2.524 32 K HA 0.102 4.421 4.320 -0.001 0.000 0.279 32 K C -0.710 176.057 176.600 0.278 0.000 0.993 32 K CA 0.134 56.483 56.287 0.103 0.000 1.030 32 K CB 0.695 33.091 32.500 -0.173 0.000 0.891 32 K HN -0.109 nan 8.250 nan 0.000 0.488 33 I N 2.579 123.392 120.570 0.404 0.000 2.406 33 I HA 0.140 4.310 4.170 -0.001 0.000 0.290 33 I C -0.569 175.771 176.117 0.372 0.000 0.999 33 I CA -1.006 60.491 61.300 0.329 0.000 1.124 33 I CB 0.869 38.969 38.000 0.167 0.000 1.289 33 I HN 0.737 nan 8.210 nan 0.000 0.441 34 N N 7.132 125.819 118.700 -0.021 0.000 2.457 34 N HA 0.413 5.153 4.740 -0.001 0.000 0.250 34 N C -0.446 174.936 175.510 -0.215 0.000 0.982 34 N CA -0.277 52.512 53.050 -0.436 0.000 0.941 34 N CB 0.849 38.429 38.487 -1.512 0.000 1.120 34 N HN 0.595 nan 8.380 nan 0.000 0.505 35 L N 2.426 123.614 121.223 -0.058 0.000 3.066 35 L HA 0.427 4.767 4.340 -0.001 0.000 0.265 35 L C 1.520 178.405 176.870 0.025 0.000 1.232 35 L CA -0.441 54.379 54.840 -0.034 0.000 1.031 35 L CB 0.425 42.469 42.059 -0.025 0.000 1.379 35 L HN 0.595 nan 8.230 nan 0.000 0.563 36 G N 1.119 109.918 108.800 -0.001 0.000 2.561 36 G HA2 0.115 4.075 3.960 -0.001 0.000 0.208 36 G HA3 0.115 4.075 3.960 -0.001 0.000 0.208 36 G C 0.801 175.747 174.900 0.076 0.000 1.510 36 G CA -0.336 44.789 45.100 0.042 0.000 0.941 36 G HN 0.068 nan 8.290 nan 0.000 0.478 37 I N 2.228 122.816 120.570 0.030 0.000 2.932 37 I HA 0.066 4.235 4.170 -0.001 0.000 0.295 37 I C 1.333 177.538 176.117 0.148 0.000 1.227 37 I CA 0.515 61.857 61.300 0.069 0.000 1.429 37 I CB 0.038 38.027 38.000 -0.017 0.000 1.339 37 I HN 0.248 nan 8.210 nan 0.000 0.589 38 G N 5.901 114.865 108.800 0.274 0.000 3.101 38 G HA2 0.386 4.345 3.960 -0.001 0.000 0.272 38 G HA3 0.386 4.345 3.960 -0.001 0.000 0.272 38 G C -0.329 174.594 174.900 0.037 0.000 0.801 38 G CA -0.124 45.150 45.100 0.289 0.000 1.978 38 G HN 0.343 nan 8.290 nan 0.000 0.591 39 V N 2.234 122.094 119.914 -0.089 0.000 2.487 39 V HA 0.285 4.404 4.120 -0.001 0.000 0.298 39 V C -0.580 175.469 176.094 -0.073 0.000 1.028 39 V CA -1.234 60.924 62.300 -0.236 0.000 0.860 39 V CB 1.627 33.179 31.823 -0.451 0.000 0.991 39 V HN 0.597 nan 8.190 nan 0.000 0.427 40 Y N 5.395 125.692 120.300 -0.005 0.000 2.511 40 Y HA 0.407 4.957 4.550 -0.001 0.000 0.332 40 Y C 0.168 176.080 175.900 0.020 0.000 1.177 40 Y CA 0.479 58.606 58.100 0.046 0.000 1.422 40 Y CB 0.603 39.170 38.460 0.178 0.000 1.271 40 Y HN 0.569 nan 8.280 nan 0.000 0.550 41 K N 3.891 123.831 120.400 -0.767 0.000 2.340 41 K HA 0.299 4.618 4.320 -0.001 0.000 0.244 41 K C -1.291 174.830 176.600 -0.799 0.000 0.973 41 K CA -0.772 55.190 56.287 -0.541 0.000 0.828 41 K CB 1.149 33.435 32.500 -0.356 0.000 1.226 41 K HN 0.758 nan 8.250 nan 0.000 0.437 42 D N -0.045 120.168 120.400 -0.313 0.000 2.494 42 D HA 0.160 4.800 4.640 -0.001 0.000 0.259 42 D C 0.195 176.427 176.300 -0.112 0.000 1.109 42 D CA -0.401 53.503 54.000 -0.159 0.000 1.040 42 D CB 0.538 41.369 40.800 0.051 0.000 1.175 42 D HN 0.444 nan 8.370 nan 0.000 0.584 43 E N -1.056 119.115 120.200 -0.048 0.000 2.284 43 E HA -0.175 4.175 4.350 -0.001 0.000 0.200 43 E C 1.427 178.009 176.600 -0.031 0.000 1.008 43 E CA 2.091 58.471 56.400 -0.034 0.000 0.829 43 E CB -0.548 29.148 29.700 -0.007 0.000 0.744 43 E HN 0.688 nan 8.360 nan 0.000 0.491 44 T N -3.665 110.874 114.554 -0.026 0.000 3.105 44 T HA 0.359 4.708 4.350 -0.001 0.000 0.253 44 T C 1.392 176.075 174.700 -0.028 0.000 1.047 44 T CA 0.107 62.197 62.100 -0.017 0.000 0.944 44 T CB 0.370 69.236 68.868 -0.002 0.000 1.016 44 T HN 0.280 nan 8.240 nan 0.000 0.544 45 G N 1.190 109.955 108.800 -0.057 0.000 2.176 45 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.252 45 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.252 45 G C -0.210 174.656 174.900 -0.056 0.000 1.024 45 G CA 0.441 45.499 45.100 -0.070 0.000 0.755 45 G HN 0.904 nan 8.290 nan 0.000 0.507 46 K N -0.308 120.068 120.400 -0.041 0.000 2.328 46 K HA 0.743 5.062 4.320 -0.001 0.000 0.246 46 K C -0.121 176.484 176.600 0.008 0.000 0.955 46 K CA -0.476 55.804 56.287 -0.012 0.000 0.817 46 K CB 1.381 33.888 32.500 0.012 0.000 1.208 46 K HN -0.044 nan 8.250 nan 0.000 0.432 47 T N 5.168 119.743 114.554 0.034 0.000 3.145 47 T HA 0.323 4.672 4.350 -0.001 0.000 0.362 47 T C -2.406 172.379 174.700 0.143 0.000 1.340 47 T CA -1.219 60.945 62.100 0.106 0.000 1.069 47 T CB 0.498 69.404 68.868 0.064 0.000 1.129 47 T HN 0.493 nan 8.240 nan 0.000 0.585 48 P HA 0.323 nan 4.420 nan 0.000 0.277 48 P C -0.271 177.121 177.300 0.153 0.000 1.240 48 P CA -0.504 62.677 63.100 0.136 0.000 0.798 48 P CB 0.822 32.596 31.700 0.123 0.000 0.979 49 V N 2.908 122.894 119.914 0.121 0.000 2.572 49 V HA -0.023 4.096 4.120 -0.001 0.000 0.291 49 V C 1.074 177.230 176.094 0.103 0.000 1.039 49 V CA -0.313 62.058 62.300 0.118 0.000 1.055 49 V CB 0.076 31.958 31.823 0.098 0.000 0.969 49 V HN 0.384 nan 8.190 nan 0.000 0.482 50 L N 4.647 125.932 121.223 0.104 0.000 2.499 50 L HA 0.072 4.411 4.340 -0.001 0.000 0.281 50 L C 1.744 178.657 176.870 0.072 0.000 1.234 50 L CA 1.008 55.898 54.840 0.084 0.000 0.839 50 L CB 0.192 42.306 42.059 0.092 0.000 1.104 50 L HN 0.793 nan 8.230 nan 0.000 0.500 51 T N -0.300 114.287 114.554 0.055 0.000 2.737 51 T HA -0.145 4.205 4.350 -0.001 0.000 0.265 51 T C 1.870 176.600 174.700 0.050 0.000 1.038 51 T CA 1.600 63.728 62.100 0.046 0.000 1.144 51 T CB -0.115 68.772 68.868 0.031 0.000 0.866 51 T HN 0.846 nan 8.240 nan 0.000 0.434 52 S N 1.503 117.238 115.700 0.059 0.000 2.387 52 S HA -0.123 4.346 4.470 -0.001 0.000 0.230 52 S C 2.148 176.783 174.600 0.058 0.000 1.035 52 S CA 1.170 59.409 58.200 0.064 0.000 1.014 52 S CB -1.041 62.224 63.200 0.109 0.000 0.836 52 S HN 0.306 nan 8.310 nan 0.000 0.466 53 V N 2.200 122.160 119.914 0.076 0.000 2.307 53 V HA -0.113 4.006 4.120 -0.001 0.000 0.245 53 V C 2.853 178.982 176.094 0.057 0.000 1.045 53 V CA 1.736 64.077 62.300 0.068 0.000 1.024 53 V CB -0.626 31.255 31.823 0.096 0.000 0.651 53 V HN 0.366 nan 8.190 nan 0.000 0.449 54 K N 0.591 121.030 120.400 0.065 0.000 2.063 54 K HA -0.175 4.145 4.320 -0.001 0.000 0.208 54 K C 2.112 178.748 176.600 0.060 0.000 1.048 54 K CA 1.492 57.817 56.287 0.064 0.000 0.928 54 K CB -0.389 32.145 32.500 0.058 0.000 0.713 54 K HN 0.504 nan 8.250 nan 0.000 0.442 55 K N 0.199 120.630 120.400 0.051 0.000 2.057 55 K HA -0.061 4.259 4.320 -0.001 0.000 0.207 55 K C 2.225 178.861 176.600 0.061 0.000 1.049 55 K CA 1.201 57.519 56.287 0.051 0.000 0.931 55 K CB -0.177 32.344 32.500 0.034 0.000 0.714 55 K HN 0.080 nan 8.250 nan 0.000 0.440 56 A N 2.091 124.930 122.820 0.032 0.000 1.933 56 A HA -0.201 4.119 4.320 -0.001 0.000 0.218 56 A C 1.920 179.548 177.584 0.075 0.000 1.175 56 A CA 1.455 53.502 52.037 0.016 0.000 0.628 56 A CB -0.365 18.607 19.000 -0.047 0.000 0.814 56 A HN 0.334 nan 8.150 nan 0.000 0.444 57 E N -0.847 119.389 120.200 0.060 0.000 2.150 57 E HA -0.244 4.105 4.350 -0.001 0.000 0.193 57 E C 2.166 178.827 176.600 0.103 0.000 0.985 57 E CA 1.303 57.756 56.400 0.088 0.000 0.814 57 E CB -0.135 29.643 29.700 0.130 0.000 0.752 57 E HN 0.810 nan 8.360 nan 0.000 0.466 58 Q N 0.451 120.310 119.800 0.098 0.000 2.046 58 Q HA -0.225 4.114 4.340 -0.001 0.000 0.200 58 Q C 1.965 178.016 176.000 0.085 0.000 0.975 58 Q CA 1.342 57.192 55.803 0.079 0.000 0.836 58 Q CB -0.388 28.394 28.738 0.073 0.000 0.896 58 Q HN 0.371 nan 8.270 nan 0.000 0.428 59 Y N 0.565 120.863 120.300 -0.003 0.000 2.081 59 Y HA -0.263 4.287 4.550 -0.000 0.000 0.280 59 Y C 1.653 177.545 175.900 -0.013 0.000 1.163 59 Y CA 2.120 60.213 58.100 -0.011 0.000 1.135 59 Y CB -0.278 38.169 38.460 -0.022 0.000 0.970 59 Y HN 0.176 nan 8.280 nan 0.000 0.498 60 L N -0.694 120.569 121.223 0.066 0.000 2.083 60 L HA -0.215 4.125 4.340 -0.001 0.000 0.209 60 L C 2.438 179.255 176.870 -0.088 0.000 1.083 60 L CA 1.100 55.919 54.840 -0.036 0.000 0.752 60 L CB -0.784 41.302 42.059 0.046 0.000 0.899 60 L HN 0.336 nan 8.230 nan 0.000 0.433 61 L N 0.029 121.232 121.223 -0.033 0.000 2.079 61 L HA -0.220 4.120 4.340 -0.001 0.000 0.210 61 L C 2.258 179.080 176.870 -0.080 0.000 1.081 61 L CA 1.862 56.683 54.840 -0.031 0.000 0.752 61 L CB -0.394 41.666 42.059 0.001 0.000 0.896 61 L HN 0.213 nan 8.230 nan 0.000 0.433 62 E N -1.222 118.898 120.200 -0.133 0.000 2.190 62 E HA -0.027 4.323 4.350 -0.001 0.000 0.191 62 E C 1.581 178.057 176.600 -0.208 0.000 0.978 62 E CA 0.731 57.041 56.400 -0.150 0.000 0.839 62 E CB 0.089 29.700 29.700 -0.148 0.000 0.787 62 E HN 0.555 nan 8.360 nan 0.000 0.473 63 N N 0.301 118.794 118.700 -0.345 0.000 2.356 63 N HA 0.014 4.754 4.740 -0.001 0.000 0.178 63 N C 0.305 175.691 175.510 -0.206 0.000 1.075 63 N CA 0.124 52.965 53.050 -0.349 0.000 0.889 63 N CB 0.616 38.697 38.487 -0.678 0.000 0.999 63 N HN 0.163 nan 8.380 nan 0.000 0.464 67 T N 0.263 114.795 114.554 -0.036 0.000 2.853 67 T HA 0.580 4.930 4.350 -0.001 0.000 0.311 67 T C -1.194 173.480 174.700 -0.044 0.000 1.307 67 T CA -0.579 61.497 62.100 -0.039 0.000 1.019 67 T CB 1.807 70.655 68.868 -0.033 0.000 1.264 67 T HN -0.079 nan 8.240 nan 0.000 0.497 68 K N 1.916 122.278 120.400 -0.064 0.000 2.414 68 K HA 0.255 4.575 4.320 -0.001 0.000 0.204 68 K C 0.507 177.033 176.600 -0.123 0.000 1.026 68 K CA -0.387 55.852 56.287 -0.081 0.000 1.108 68 K CB -0.218 32.226 32.500 -0.093 0.000 0.855 68 K HN 0.458 nan 8.250 nan 0.000 0.517 69 N N 1.369 120.008 118.700 -0.101 0.000 2.293 69 N HA -0.152 4.587 4.740 -0.001 0.000 0.253 69 N C -0.511 174.966 175.510 -0.054 0.000 1.248 69 N CA 0.390 53.377 53.050 -0.106 0.000 0.845 69 N CB 0.153 38.623 38.487 -0.028 0.000 1.073 69 N HN -0.056 nan 8.380 nan 0.000 0.464 70 Y N 1.966 122.267 120.300 0.002 0.000 2.987 70 Y HA -0.102 4.447 4.550 -0.001 0.000 0.339 70 Y C 1.169 177.071 175.900 0.004 0.000 1.272 70 Y CA 0.463 58.565 58.100 0.004 0.000 1.562 70 Y CB 0.125 38.589 38.460 0.006 0.000 1.253 70 Y HN 0.313 nan 8.280 nan 0.000 0.604 71 L N 2.046 123.383 121.223 0.190 0.000 2.490 71 L HA 0.445 4.784 4.340 -0.001 0.000 0.245 71 L C 1.231 178.161 176.870 0.100 0.000 1.185 71 L CA -0.424 54.479 54.840 0.105 0.000 0.813 71 L CB 0.192 42.288 42.059 0.062 0.000 1.233 71 L HN 0.791 nan 8.230 nan 0.000 0.489 72 G N -0.604 108.236 108.800 0.067 0.000 2.562 72 G HA2 0.336 4.296 3.960 -0.001 0.000 0.275 72 G HA3 0.336 4.296 3.960 -0.001 0.000 0.275 72 G C 0.875 175.798 174.900 0.039 0.000 1.196 72 G CA -0.562 44.566 45.100 0.047 0.000 0.908 72 G HN 0.626 nan 8.290 nan 0.000 0.524 73 I N 0.257 120.829 120.570 0.004 0.000 2.194 73 I HA -0.202 3.967 4.170 -0.001 0.000 0.246 73 I C 2.020 178.154 176.117 0.028 0.000 1.093 73 I CA 1.708 62.994 61.300 -0.023 0.000 1.355 73 I CB -0.068 37.879 38.000 -0.089 0.000 1.046 73 I HN 0.558 nan 8.210 nan 0.000 0.413 74 D N 0.338 120.782 120.400 0.073 0.000 2.340 74 D HA 0.176 4.815 4.640 -0.001 0.000 0.220 74 D C 1.123 177.507 176.300 0.141 0.000 1.039 74 D CA 0.810 54.905 54.000 0.158 0.000 0.866 74 D CB -0.257 40.730 40.800 0.313 0.000 0.913 74 D HN 0.406 nan 8.370 nan 0.000 0.523 75 G N 0.843 109.694 108.800 0.084 0.000 2.542 75 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.235 75 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.235 75 G C -0.456 174.471 174.900 0.044 0.000 1.286 75 G CA -0.314 44.803 45.100 0.028 0.000 0.904 75 G HN 0.302 nan 8.290 nan 0.000 0.577 76 I N 2.930 123.505 120.570 0.009 0.000 2.452 76 I HA 0.210 4.379 4.170 -0.001 0.000 0.287 76 I C -0.926 175.270 176.117 0.131 0.000 1.079 76 I CA -1.628 59.703 61.300 0.052 0.000 1.387 76 I CB 1.576 39.583 38.000 0.011 0.000 1.404 76 I HN 0.304 nan 8.210 nan 0.000 0.522 77 P HA -0.163 nan 4.420 nan 0.000 0.215 77 P C 1.165 178.508 177.300 0.072 0.000 1.153 77 P CA 1.196 64.346 63.100 0.083 0.000 0.853 77 P CB 0.255 31.987 31.700 0.053 0.000 0.788 78 E N -1.049 119.185 120.200 0.057 0.000 2.085 78 E HA -0.177 4.172 4.350 -0.001 0.000 0.194 78 E C 1.813 178.422 176.600 0.015 0.000 0.994 78 E CA 0.846 57.258 56.400 0.020 0.000 0.801 78 E CB -1.373 28.331 29.700 0.006 0.000 0.743 78 E HN 0.282 nan 8.360 nan 0.000 0.453 79 F N 0.667 120.567 119.950 -0.085 0.000 2.095 79 F HA -0.154 4.373 4.527 -0.001 0.000 0.298 79 F C 2.137 177.900 175.800 -0.062 0.000 1.104 79 F CA 2.098 60.031 58.000 -0.113 0.000 1.232 79 F CB -0.549 38.383 39.000 -0.113 0.000 0.987 79 F HN 0.081 nan 8.300 nan 0.000 0.475 80 G N -0.075 108.775 108.800 0.083 0.000 2.402 80 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.216 80 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.216 80 G C 1.840 176.685 174.900 -0.092 0.000 1.162 80 G CA 0.609 45.707 45.100 -0.004 0.000 0.777 80 G HN 0.313 nan 8.290 nan 0.000 0.539 81 R N -0.593 119.871 120.500 -0.061 0.000 2.073 81 R HA -0.089 4.251 4.340 -0.001 0.000 0.234 81 R C 2.691 178.934 176.300 -0.095 0.000 1.134 81 R CA 1.579 57.645 56.100 -0.057 0.000 0.952 81 R CB -0.618 29.661 30.300 -0.035 0.000 0.850 81 R HN 0.398 nan 8.270 nan 0.000 0.433 82 C N -0.502 118.707 119.300 -0.152 0.000 2.425 82 C HA -0.073 4.386 4.460 -0.001 0.000 0.277 82 C C 2.648 177.518 174.990 -0.199 0.000 1.280 82 C CA 1.115 60.025 59.018 -0.179 0.000 1.744 82 C CB -0.815 26.779 27.740 -0.245 0.000 1.989 82 C HN 0.583 nan 8.230 nan 0.000 0.491 83 T N 0.518 114.897 114.554 -0.293 0.000 2.746 83 T HA -0.200 4.150 4.350 -0.001 0.000 0.267 83 T C 1.801 176.382 174.700 -0.199 0.000 1.039 83 T CA 1.411 63.357 62.100 -0.257 0.000 1.142 83 T CB -0.296 68.357 68.868 -0.358 0.000 0.866 83 T HN 0.652 nan 8.240 nan 0.000 0.444 84 Q N 0.621 120.345 119.800 -0.127 0.000 2.124 84 Q HA -0.119 4.220 4.340 -0.001 0.000 0.202 84 Q C 2.371 178.361 176.000 -0.017 0.000 0.977 84 Q CA 1.245 57.029 55.803 -0.031 0.000 0.850 84 Q CB -0.124 28.686 28.738 0.121 0.000 0.901 84 Q HN 0.620 nan 8.270 nan 0.000 0.429 85 E N 0.155 120.338 120.200 -0.028 0.000 2.107 85 E HA -0.162 4.188 4.350 -0.001 0.000 0.191 85 E C 1.881 178.458 176.600 -0.038 0.000 0.982 85 E CA 0.446 56.842 56.400 -0.007 0.000 0.809 85 E CB 0.048 29.741 29.700 -0.012 0.000 0.756 85 E HN 0.154 nan 8.360 nan 0.000 0.459 86 L N 0.770 121.945 121.223 -0.080 0.000 2.017 86 L HA -0.172 4.167 4.340 -0.001 0.000 0.208 86 L C 2.103 178.888 176.870 -0.141 0.000 1.073 86 L CA 1.415 56.209 54.840 -0.076 0.000 0.745 86 L CB -0.687 41.332 42.059 -0.067 0.000 0.894 86 L HN 0.123 nan 8.230 nan 0.000 0.432 87 L N -1.432 119.627 121.223 -0.273 0.000 1.948 87 L HA -0.173 4.166 4.340 -0.001 0.000 0.212 87 L C 2.245 178.879 176.870 -0.393 0.000 1.074 87 L CA 1.990 56.556 54.840 -0.455 0.000 0.753 87 L CB -1.174 40.312 42.059 -0.956 0.000 0.888 87 L HN 0.167 nan 8.230 nan 0.000 0.432 88 F N -0.632 119.306 119.950 -0.019 0.000 2.754 88 F HA 0.478 5.004 4.527 -0.001 0.000 0.297 88 F C 1.262 177.050 175.800 -0.020 0.000 1.122 88 F CA 0.195 58.179 58.000 -0.027 0.000 1.400 88 F CB -0.743 38.238 39.000 -0.031 0.000 1.117 88 F HN 0.154 nan 8.300 nan 0.000 0.587 89 G N 0.654 109.518 108.800 0.108 0.000 2.784 89 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.686 89 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.686 89 G C 0.395 175.332 174.900 0.063 0.000 1.156 89 G CA -0.299 44.843 45.100 0.069 0.000 0.757 89 G HN 0.187 nan 8.290 nan 0.000 0.642 90 K N 0.388 120.809 120.400 0.035 0.000 2.077 90 K HA -0.115 4.204 4.320 -0.001 0.000 0.213 90 K C 2.089 178.704 176.600 0.025 0.000 1.051 90 K CA 2.591 58.893 56.287 0.025 0.000 0.929 90 K CB -0.310 32.198 32.500 0.014 0.000 0.715 90 K HN 1.094 nan 8.250 nan 0.000 0.451 91 G N 0.231 109.046 108.800 0.024 0.000 3.936 91 G HA2 0.081 4.040 3.960 -0.001 0.000 0.296 91 G HA3 0.081 4.040 3.960 -0.001 0.000 0.296 91 G C -0.395 174.514 174.900 0.016 0.000 1.121 91 G CA -0.313 44.796 45.100 0.016 0.000 0.899 91 G HN 0.237 nan 8.290 nan 0.000 0.542 92 S N -0.178 115.540 115.700 0.031 0.000 2.559 92 S HA 0.334 4.803 4.470 -0.001 0.000 0.282 92 S C 1.890 176.481 174.600 -0.014 0.000 1.336 92 S CA 0.411 58.623 58.200 0.021 0.000 1.037 92 S CB 1.007 64.245 63.200 0.064 0.000 0.853 92 S HN 0.582 nan 8.310 nan 0.000 0.523 93 A N 4.178 126.975 122.820 -0.038 0.000 1.970 93 A HA 0.108 4.427 4.320 -0.001 0.000 0.216 93 A C 2.099 179.632 177.584 -0.087 0.000 1.170 93 A CA 0.890 52.896 52.037 -0.052 0.000 0.645 93 A CB -0.658 18.313 19.000 -0.048 0.000 0.816 93 A HN 0.855 nan 8.150 nan 0.000 0.447 94 L N -0.450 120.681 121.223 -0.153 0.000 2.079 94 L HA -0.216 4.124 4.340 -0.001 0.000 0.210 94 L C 2.393 179.174 176.870 -0.148 0.000 1.081 94 L CA 1.319 56.019 54.840 -0.233 0.000 0.752 94 L CB -0.600 41.128 42.059 -0.552 0.000 0.896 94 L HN 0.389 nan 8.230 nan 0.000 0.433 95 I N -0.314 120.204 120.570 -0.087 0.000 2.193 95 I HA -0.223 3.947 4.170 -0.001 0.000 0.240 95 I C 2.221 178.320 176.117 -0.030 0.000 1.084 95 I CA 0.966 62.248 61.300 -0.030 0.000 1.365 95 I CB -0.450 37.561 38.000 0.019 0.000 1.064 95 I HN 0.318 nan 8.210 nan 0.000 0.410 96 N N 1.057 119.740 118.700 -0.029 0.000 2.104 96 N HA -0.184 4.556 4.740 -0.001 0.000 0.190 96 N C 1.280 176.772 175.510 -0.029 0.000 1.024 96 N CA 1.458 54.494 53.050 -0.023 0.000 0.853 96 N CB -0.571 37.904 38.487 -0.020 0.000 1.008 96 N HN 0.344 nan 8.380 nan 0.000 0.424 97 D N 0.583 120.959 120.400 -0.040 0.000 2.371 97 D HA -0.059 4.581 4.640 -0.001 0.000 0.221 97 D C 0.427 176.703 176.300 -0.040 0.000 0.986 97 D CA 0.426 54.403 54.000 -0.038 0.000 0.899 97 D CB -0.022 40.751 40.800 -0.044 0.000 0.902 97 D HN -0.020 nan 8.370 nan 0.000 0.530 98 K N 0.446 120.818 120.400 -0.047 0.000 3.125 98 K HA -0.210 4.110 4.320 -0.001 0.000 0.268 98 K C 0.398 176.964 176.600 -0.058 0.000 1.078 98 K CA 0.185 56.443 56.287 -0.048 0.000 0.775 98 K CB -1.572 30.907 32.500 -0.034 0.000 1.253 98 K HN 0.249 nan 8.250 nan 0.000 0.486 99 R N -1.118 119.337 120.500 -0.075 0.000 2.310 99 R HA 0.227 4.566 4.340 -0.001 0.000 0.202 99 R C 0.584 176.832 176.300 -0.087 0.000 0.933 99 R CA 0.785 56.840 56.100 -0.075 0.000 1.054 99 R CB 0.555 30.799 30.300 -0.093 0.000 0.985 99 R HN 0.302 nan 8.270 nan 0.000 0.489 100 A N 1.432 124.192 122.820 -0.101 0.000 2.355 100 A HA 0.706 5.025 4.320 -0.001 0.000 0.324 100 A C -0.637 176.855 177.584 -0.153 0.000 1.117 100 A CA -0.774 51.211 52.037 -0.086 0.000 0.785 100 A CB 1.379 20.370 19.000 -0.015 0.000 1.254 100 A HN -0.013 nan 8.150 nan 0.000 0.453 101 R N 0.895 121.243 120.500 -0.253 0.000 2.574 101 R HA 0.625 4.965 4.340 -0.001 0.000 0.288 101 R C -1.419 174.612 176.300 -0.448 0.000 1.004 101 R CA -0.409 55.345 56.100 -0.576 0.000 0.895 101 R CB 1.596 31.125 30.300 -1.286 0.000 1.191 101 R HN 0.695 nan 8.270 nan 0.000 0.444 102 T N 1.035 115.420 114.554 -0.282 0.000 2.829 102 T HA 0.694 5.043 4.350 -0.001 0.000 0.280 102 T C -0.616 174.212 174.700 0.213 0.000 0.999 102 T CA -0.585 61.522 62.100 0.010 0.000 0.983 102 T CB 1.921 70.818 68.868 0.048 0.000 0.968 102 T HN 0.615 nan 8.240 nan 0.000 0.446 103 A N 2.780 125.815 122.820 0.357 0.000 2.318 103 A HA 0.618 4.938 4.320 -0.001 0.000 0.324 103 A C -0.101 177.662 177.584 0.299 0.000 1.170 103 A CA -0.745 51.519 52.037 0.378 0.000 0.810 103 A CB 0.998 20.197 19.000 0.331 0.000 1.198 103 A HN 0.761 nan 8.150 nan 0.000 0.484 104 Q N 1.647 121.592 119.800 0.242 0.000 2.304 104 Q HA 0.444 4.783 4.340 -0.001 0.000 0.260 104 Q C -0.132 175.910 176.000 0.070 0.000 0.965 104 Q CA 0.225 56.089 55.803 0.103 0.000 0.898 104 Q CB 0.585 29.147 28.738 -0.294 0.000 1.196 104 Q HN 0.846 nan 8.270 nan 0.000 0.402 105 T N 0.699 115.283 114.554 0.049 0.000 2.907 105 T HA 0.585 4.934 4.350 -0.001 0.000 0.290 105 T C -2.706 171.912 174.700 -0.137 0.000 1.066 105 T CA -2.226 59.880 62.100 0.010 0.000 1.012 105 T CB 1.641 70.568 68.868 0.098 0.000 1.184 105 T HN 0.415 nan 8.240 nan 0.000 0.522 106 P HA 0.427 nan 4.420 nan 0.000 0.252 106 P C 0.682 177.910 177.300 -0.120 0.000 1.727 106 P CA 0.860 63.806 63.100 -0.257 0.000 1.134 106 P CB -0.247 31.214 31.700 -0.399 0.000 1.876 107 G N 2.347 111.108 108.800 -0.064 0.000 2.796 107 G HA2 -0.103 3.856 3.960 -0.001 0.000 0.571 107 G HA3 -0.103 3.856 3.960 -0.001 0.000 0.571 107 G C 0.976 175.868 174.900 -0.013 0.000 1.370 107 G CA -0.472 44.611 45.100 -0.028 0.000 0.856 107 G HN 0.423 nan 8.290 nan 0.000 0.538 108 G N -1.480 107.300 108.800 -0.033 0.000 2.421 108 G HA2 0.139 4.098 3.960 -0.001 0.000 0.217 108 G HA3 0.139 4.098 3.960 -0.001 0.000 0.217 108 G C 1.816 176.739 174.900 0.037 0.000 1.143 108 G CA 2.313 47.395 45.100 -0.030 0.000 0.784 108 G HN 1.218 nan 8.290 nan 0.000 0.541 109 T N 1.059 115.652 114.554 0.065 0.000 2.708 109 T HA -0.054 4.296 4.350 -0.001 0.000 0.266 109 T C 2.511 177.258 174.700 0.079 0.000 1.037 109 T CA 1.385 63.569 62.100 0.140 0.000 1.146 109 T CB -0.526 68.450 68.868 0.180 0.000 0.865 109 T HN 0.327 nan 8.240 nan 0.000 0.435 110 G N 0.891 109.717 108.800 0.044 0.000 2.432 110 G HA2 0.000 3.960 3.960 -0.001 0.000 0.219 110 G HA3 0.000 3.960 3.960 -0.001 0.000 0.219 110 G C 1.755 176.715 174.900 0.099 0.000 1.135 110 G CA 0.855 45.984 45.100 0.048 0.000 0.767 110 G HN 0.586 nan 8.290 nan 0.000 0.550 111 A N 0.300 123.174 122.820 0.090 0.000 1.897 111 A HA 0.181 4.500 4.320 -0.001 0.000 0.215 111 A C 2.303 179.963 177.584 0.126 0.000 1.181 111 A CA 1.074 53.181 52.037 0.117 0.000 0.620 111 A CB -0.355 18.706 19.000 0.103 0.000 0.821 111 A HN 0.279 nan 8.150 nan 0.000 0.443 112 L N -0.123 121.166 121.223 0.110 0.000 1.989 112 L HA -0.130 4.210 4.340 -0.001 0.000 0.211 112 L C 2.521 179.400 176.870 0.016 0.000 1.071 112 L CA 2.293 57.188 54.840 0.091 0.000 0.749 112 L CB -1.091 41.017 42.059 0.080 0.000 0.890 112 L HN 0.495 nan 8.230 nan 0.000 0.431 113 R N -0.860 119.640 120.500 -0.001 0.000 2.096 113 R HA -0.110 4.229 4.340 -0.001 0.000 0.235 113 R C 2.104 178.456 176.300 0.085 0.000 1.127 113 R CA 1.555 57.655 56.100 0.000 0.000 0.968 113 R CB -0.752 29.556 30.300 0.014 0.000 0.861 113 R HN 0.215 nan 8.270 nan 0.000 0.440 114 V N 0.665 120.655 119.914 0.127 0.000 2.515 114 V HA -0.145 3.975 4.120 -0.001 0.000 0.250 114 V C 2.287 178.495 176.094 0.190 0.000 1.058 114 V CA 1.735 64.122 62.300 0.145 0.000 1.064 114 V CB -0.692 31.220 31.823 0.147 0.000 0.675 114 V HN 0.546 nan 8.190 nan 0.000 0.461 115 A N 0.037 122.980 122.820 0.206 0.000 1.873 115 A HA -0.080 4.239 4.320 -0.001 0.000 0.215 115 A C 2.448 180.251 177.584 0.365 0.000 1.186 115 A CA 1.940 54.154 52.037 0.295 0.000 0.616 115 A CB -0.780 18.391 19.000 0.284 0.000 0.823 115 A HN 0.538 nan 8.150 nan 0.000 0.442 116 A N 0.186 123.185 122.820 0.299 0.000 1.865 116 A HA -0.229 4.090 4.320 -0.001 0.000 0.217 116 A C 1.804 179.515 177.584 0.211 0.000 1.191 116 A CA 2.089 54.308 52.037 0.302 0.000 0.623 116 A CB -0.782 18.335 19.000 0.195 0.000 0.826 116 A HN 0.437 nan 8.150 nan 0.000 0.444 117 D N -1.332 119.169 120.400 0.169 0.000 2.144 117 D HA -0.125 4.515 4.640 -0.001 0.000 0.199 117 D C 1.588 177.974 176.300 0.143 0.000 0.984 117 D CA 1.336 55.411 54.000 0.126 0.000 0.834 117 D CB -0.381 40.479 40.800 0.100 0.000 0.955 117 D HN 0.505 nan 8.370 nan 0.000 0.465 118 F N 0.848 120.837 119.950 0.065 0.000 2.084 118 F HA -0.156 4.370 4.527 -0.001 0.000 0.296 118 F C 1.916 177.761 175.800 0.075 0.000 1.111 118 F CA 0.876 58.912 58.000 0.061 0.000 1.224 118 F CB -0.313 38.730 39.000 0.072 0.000 0.991 118 F HN -0.144 nan 8.300 nan 0.000 0.471 119 L N 1.103 122.298 121.223 -0.047 0.000 1.989 119 L HA -0.164 4.176 4.340 -0.001 0.000 0.211 119 L C 2.812 179.606 176.870 -0.127 0.000 1.071 119 L CA 2.084 56.846 54.840 -0.129 0.000 0.749 119 L CB -2.014 40.117 42.059 0.120 0.000 0.890 119 L HN 0.329 nan 8.230 nan 0.000 0.431 120 A N -1.502 121.302 122.820 -0.026 0.000 1.940 120 A HA -0.195 4.125 4.320 -0.001 0.000 0.219 120 A C 2.311 179.863 177.584 -0.053 0.000 1.176 120 A CA 1.563 53.592 52.037 -0.014 0.000 0.631 120 A CB -0.301 18.717 19.000 0.031 0.000 0.814 120 A HN 0.280 nan 8.150 nan 0.000 0.446 121 K N -0.815 119.534 120.400 -0.084 0.000 2.323 121 K HA 0.106 4.425 4.320 -0.001 0.000 0.197 121 K C 0.532 177.052 176.600 -0.133 0.000 1.043 121 K CA 0.471 56.708 56.287 -0.083 0.000 0.997 121 K CB 0.061 32.531 32.500 -0.050 0.000 0.807 121 K HN 0.524 nan 8.250 nan 0.000 0.497 122 N N 0.543 119.089 118.700 -0.256 0.000 2.159 122 N HA -0.002 4.737 4.740 -0.001 0.000 0.217 122 N C 0.292 175.661 175.510 -0.236 0.000 1.223 122 N CA 0.176 53.065 53.050 -0.269 0.000 0.896 122 N CB 1.522 39.754 38.487 -0.425 0.000 1.064 122 N HN 0.184 nan 8.380 nan 0.000 0.518 123 T N -2.250 112.182 114.554 -0.204 0.000 2.742 123 T HA 0.288 4.637 4.350 -0.001 0.000 0.282 123 T C 0.870 175.539 174.700 -0.053 0.000 1.025 123 T CA -0.516 61.517 62.100 -0.112 0.000 1.020 123 T CB 1.460 70.269 68.868 -0.098 0.000 1.317 123 T HN -0.078 nan 8.240 nan 0.000 0.538 124 S N -0.551 115.141 115.700 -0.014 0.000 2.577 124 S HA 0.275 4.744 4.470 -0.001 0.000 0.219 124 S C 0.564 175.175 174.600 0.019 0.000 0.962 124 S CA -0.546 57.657 58.200 0.005 0.000 0.921 124 S CB -0.617 62.594 63.200 0.019 0.000 0.789 124 S HN 0.641 nan 8.310 nan 0.000 0.497 125 V N 3.616 123.540 119.914 0.017 0.000 2.617 125 V HA 0.175 4.295 4.120 -0.001 0.000 0.304 125 V C 0.546 176.652 176.094 0.020 0.000 1.040 125 V CA 0.305 62.624 62.300 0.032 0.000 1.149 125 V CB 0.360 32.205 31.823 0.036 0.000 0.914 125 V HN 0.545 nan 8.190 nan 0.000 0.487 134 W N 5.633 126.764 121.300 -0.283 0.000 2.331 134 W HA 0.709 5.368 4.660 -0.001 0.000 0.306 134 W C 0.262 176.681 176.519 -0.168 0.000 1.162 134 W CA -0.086 57.151 57.345 -0.181 0.000 1.232 134 W CB 1.737 31.096 29.460 -0.169 0.000 1.235 134 W HN 0.846 nan 8.180 nan 0.000 0.479 135 V N 1.438 121.302 119.914 -0.084 0.000 2.715 135 V HA 0.734 4.854 4.120 -0.001 0.000 0.310 135 V C 0.311 176.054 176.094 -0.584 0.000 1.054 135 V CA -1.187 60.969 62.300 -0.240 0.000 0.928 135 V CB 1.128 32.862 31.823 -0.148 0.000 1.007 135 V HN 0.520 nan 8.190 nan 0.000 0.437 136 S N 2.673 117.869 115.700 -0.839 0.000 2.589 136 S HA 0.244 4.713 4.470 -0.001 0.000 0.265 136 S C -0.027 174.332 174.600 -0.401 0.000 1.342 136 S CA -0.330 57.259 58.200 -1.018 0.000 1.005 136 S CB 0.364 63.047 63.200 -0.862 0.000 0.909 136 S HN 1.082 nan 8.310 nan 0.000 0.555 137 N N 2.006 120.555 118.700 -0.252 0.000 2.524 137 N HA 0.414 5.153 4.740 -0.001 0.000 0.261 137 N C -2.933 172.620 175.510 0.070 0.000 0.998 137 N CA -1.798 51.225 53.050 -0.044 0.000 0.915 137 N CB 1.481 39.973 38.487 0.008 0.000 1.187 137 N HN 0.449 nan 8.380 nan 0.000 0.507 138 P HA 0.370 nan 4.420 nan 0.000 0.287 138 P C -0.944 176.340 177.300 -0.027 0.000 1.296 138 P CA -0.423 62.691 63.100 0.023 0.000 0.811 138 P CB 1.823 33.541 31.700 0.030 0.000 1.211 139 S N -1.767 113.926 115.700 -0.012 0.000 2.705 139 S HA 0.471 4.941 4.470 -0.001 0.000 0.280 139 S C -1.888 172.780 174.600 0.114 0.000 1.174 139 S CA -0.627 57.601 58.200 0.048 0.000 0.823 139 S CB 0.133 63.463 63.200 0.216 0.000 1.162 139 S HN 0.411 nan 8.310 nan 0.000 0.487 140 W N 3.992 125.266 121.300 -0.043 0.000 2.381 140 W HA 0.355 5.014 4.660 -0.001 0.000 0.321 140 W C -2.099 174.320 176.519 -0.166 0.000 1.407 140 W CA -1.727 55.496 57.345 -0.203 0.000 1.274 140 W CB 0.219 29.416 29.460 -0.439 0.000 1.310 140 W HN 0.514 nan 8.180 nan 0.000 0.551 141 P HA -0.270 nan 4.420 nan 0.000 0.218 141 P C 1.164 178.120 177.300 -0.573 0.000 1.146 141 P CA 1.884 64.777 63.100 -0.346 0.000 0.813 141 P CB 0.217 31.771 31.700 -0.244 0.000 0.778 142 N N -1.564 116.385 118.700 -1.252 0.000 2.515 142 N HA -0.101 4.639 4.740 -0.001 0.000 0.185 142 N C 1.499 176.535 175.510 -0.790 0.000 1.109 142 N CA 0.503 52.827 53.050 -1.211 0.000 0.903 142 N CB -0.625 36.819 38.487 -1.738 0.000 0.969 142 N HN 0.297 nan 8.380 nan 0.000 0.450 143 H N -0.650 118.140 119.070 -0.466 0.000 2.353 143 H HA -0.033 4.523 4.556 -0.001 0.000 0.300 143 H C 1.852 177.206 175.328 0.043 0.000 1.090 143 H CA 0.906 56.921 56.048 -0.054 0.000 1.327 143 H CB 0.311 30.197 29.762 0.207 0.000 1.383 143 H HN 0.033 nan 8.280 nan 0.000 0.508 144 K N 0.646 121.115 120.400 0.115 0.000 2.009 144 K HA -0.135 4.184 4.320 -0.001 0.000 0.210 144 K C 2.385 178.994 176.600 0.015 0.000 1.049 144 K CA 1.455 57.791 56.287 0.081 0.000 0.929 144 K CB -0.269 32.225 32.500 -0.010 0.000 0.714 144 K HN 0.163 nan 8.250 nan 0.000 0.440 145 S N 0.678 116.318 115.700 -0.100 0.000 2.365 145 S HA -0.137 4.332 4.470 -0.001 0.000 0.225 145 S C 2.116 176.634 174.600 -0.135 0.000 1.039 145 S CA 1.512 59.636 58.200 -0.126 0.000 1.033 145 S CB -0.303 62.786 63.200 -0.186 0.000 0.887 145 S HN 0.087 nan 8.310 nan 0.000 0.447 146 V N 1.070 120.843 119.914 -0.235 0.000 2.295 146 V HA -0.156 3.963 4.120 -0.001 0.000 0.246 146 V C 1.973 177.888 176.094 -0.298 0.000 1.049 146 V CA 1.733 63.840 62.300 -0.322 0.000 1.024 146 V CB -0.887 30.632 31.823 -0.506 0.000 0.648 146 V HN 0.383 nan 8.190 nan 0.000 0.447 147 F N 0.918 120.871 119.950 0.005 0.000 2.113 147 F HA -0.107 4.420 4.527 -0.001 0.000 0.297 147 F C 2.248 178.039 175.800 -0.015 0.000 1.103 147 F CA 1.723 59.724 58.000 0.001 0.000 1.248 147 F CB -1.220 37.773 39.000 -0.012 0.000 0.999 147 F HN 0.182 nan 8.300 nan 0.000 0.475 148 N N -0.319 118.463 118.700 0.136 0.000 2.205 148 N HA -0.178 4.562 4.740 -0.001 0.000 0.186 148 N C 1.772 177.301 175.510 0.031 0.000 1.015 148 N CA 1.284 54.369 53.050 0.058 0.000 0.862 148 N CB -0.236 38.262 38.487 0.018 0.000 0.986 148 N HN 0.131 nan 8.380 nan 0.000 0.429 149 S N 0.265 115.970 115.700 0.008 0.000 2.423 149 S HA -0.036 4.434 4.470 -0.001 0.000 0.231 149 S C 1.791 176.400 174.600 0.015 0.000 1.014 149 S CA 0.847 59.044 58.200 -0.005 0.000 0.965 149 S CB 0.017 63.197 63.200 -0.033 0.000 0.785 149 S HN 0.448 nan 8.310 nan 0.000 0.495 150 A N 0.172 123.017 122.820 0.043 0.000 2.275 150 A HA 0.549 4.869 4.320 -0.001 0.000 0.212 150 A C 1.504 179.122 177.584 0.057 0.000 1.201 150 A CA 0.569 52.641 52.037 0.059 0.000 0.843 150 A CB -0.480 18.578 19.000 0.098 0.000 0.873 150 A HN 0.810 nan 8.150 nan 0.000 0.492 151 G N -1.622 107.207 108.800 0.049 0.000 2.131 151 G HA2 -0.139 3.820 3.960 -0.001 0.000 0.223 151 G HA3 -0.139 3.820 3.960 -0.001 0.000 0.223 151 G C -0.153 174.769 174.900 0.036 0.000 0.990 151 G CA 0.233 45.353 45.100 0.033 0.000 0.671 151 G HN 0.269 nan 8.290 nan 0.000 0.521 155 V N 3.915 123.715 119.914 -0.189 0.000 2.384 155 V HA 0.581 4.700 4.120 -0.001 0.000 0.287 155 V C -0.266 175.612 176.094 -0.360 0.000 1.020 155 V CA -0.715 61.429 62.300 -0.260 0.000 0.850 155 V CB 1.343 33.088 31.823 -0.130 0.000 0.987 155 V HN 0.520 nan 8.190 nan 0.000 0.436 156 R N 2.792 122.928 120.500 -0.606 0.000 2.787 156 R HA 0.681 5.021 4.340 -0.001 0.000 0.271 156 R C -0.337 175.645 176.300 -0.530 0.000 0.993 156 R CA -0.877 54.749 56.100 -0.789 0.000 0.993 156 R CB 1.391 30.668 30.300 -1.705 0.000 1.155 156 R HN 0.737 nan 8.270 nan 0.000 0.486 157 E N 1.362 121.392 120.200 -0.282 0.000 2.207 157 E HA 0.326 4.675 4.350 -0.001 0.000 0.270 157 E C -0.973 175.761 176.600 0.225 0.000 0.927 157 E CA -0.842 55.521 56.400 -0.062 0.000 0.799 157 E CB 1.845 31.500 29.700 -0.075 0.000 1.172 157 E HN 0.483 nan 8.360 nan 0.000 0.404 158 Y N -0.397 120.019 120.300 0.193 0.000 2.446 158 Y HA 0.735 5.285 4.550 -0.001 0.000 0.338 158 Y C -0.238 175.747 175.900 0.142 0.000 1.055 158 Y CA -1.527 56.685 58.100 0.187 0.000 1.101 158 Y CB 0.762 39.292 38.460 0.118 0.000 1.221 158 Y HN 0.522 nan 8.280 nan 0.000 0.460 159 A N 2.645 125.657 122.820 0.321 0.000 2.466 159 A HA 0.329 4.649 4.320 -0.001 0.000 0.238 159 A C -0.718 177.078 177.584 0.353 0.000 1.074 159 A CA 0.416 52.596 52.037 0.237 0.000 0.774 159 A CB -0.102 18.988 19.000 0.150 0.000 1.015 159 A HN 1.056 nan 8.150 nan 0.000 0.498 160 Y N 0.317 120.679 120.300 0.102 0.000 3.341 160 Y HA 0.223 4.772 4.550 -0.001 0.000 0.179 160 Y C -0.241 175.726 175.900 0.111 0.000 0.929 160 Y CA 0.109 58.265 58.100 0.093 0.000 1.758 160 Y CB 0.023 38.465 38.460 -0.030 0.000 1.446 160 Y HN 0.662 nan 8.280 nan 0.000 0.337 161 Y N 2.745 123.111 120.300 0.110 0.000 2.299 161 Y HA 0.413 4.963 4.550 -0.001 0.000 0.326 161 Y C -0.718 175.196 175.900 0.022 0.000 1.164 161 Y CA -1.112 57.019 58.100 0.051 0.000 1.234 161 Y CB 0.870 39.443 38.460 0.188 0.000 1.219 161 Y HN 0.208 nan 8.280 nan 0.000 0.497 162 D N 4.600 124.647 120.400 -0.589 0.000 2.473 162 D HA 0.378 5.017 4.640 -0.001 0.000 0.226 162 D C 0.609 176.288 176.300 -1.034 0.000 1.089 162 D CA 0.201 53.852 54.000 -0.582 0.000 0.883 162 D CB 0.937 41.523 40.800 -0.355 0.000 1.029 162 D HN 0.751 nan 8.370 nan 0.000 0.517 163 A N 4.134 126.464 122.820 -0.816 0.000 1.859 163 A HA -0.274 4.045 4.320 -0.001 0.000 0.218 163 A C 1.867 178.958 177.584 -0.820 0.000 1.209 163 A CA 1.758 53.405 52.037 -0.649 0.000 0.639 163 A CB -0.556 18.319 19.000 -0.209 0.000 0.835 163 A HN 0.687 nan 8.150 nan 0.000 0.450 164 E N -0.347 119.505 120.200 -0.580 0.000 2.049 164 E HA -0.198 4.151 4.350 -0.001 0.000 0.198 164 E C 1.648 177.834 176.600 -0.690 0.000 1.007 164 E CA 1.441 57.510 56.400 -0.550 0.000 0.809 164 E CB -0.297 29.221 29.700 -0.304 0.000 0.749 164 E HN 0.668 nan 8.360 nan 0.000 0.450 165 N N -0.046 118.339 118.700 -0.525 0.000 2.422 165 N HA -0.038 4.701 4.740 -0.001 0.000 0.181 165 N C -0.561 174.775 175.510 -0.290 0.000 1.080 165 N CA 0.295 53.141 53.050 -0.340 0.000 0.893 165 N CB 0.207 38.584 38.487 -0.183 0.000 0.973 165 N HN 0.280 nan 8.380 nan 0.000 0.456 166 H N -0.544 118.296 119.070 -0.383 0.000 2.756 166 H HA -0.137 4.418 4.556 -0.001 0.000 0.315 166 H C -0.110 175.210 175.328 -0.012 0.000 1.210 166 H CA 0.779 56.668 56.048 -0.264 0.000 1.150 166 H CB -1.428 28.144 29.762 -0.318 0.000 1.463 166 H HN 0.054 nan 8.280 nan 0.000 0.427 167 T N -0.649 113.855 114.554 -0.084 0.000 2.716 167 T HA 0.524 4.873 4.350 -0.001 0.000 0.286 167 T C -0.698 173.987 174.700 -0.025 0.000 1.052 167 T CA -0.879 61.232 62.100 0.018 0.000 1.024 167 T CB 1.512 70.357 68.868 -0.038 0.000 1.349 167 T HN 0.224 nan 8.240 nan 0.000 0.525 168 L N 2.500 123.686 121.223 -0.061 0.000 2.260 168 L HA 0.364 4.703 4.340 -0.001 0.000 0.289 168 L C -0.409 176.383 176.870 -0.129 0.000 1.057 168 L CA -0.297 54.427 54.840 -0.193 0.000 0.811 168 L CB 0.772 42.690 42.059 -0.235 0.000 1.184 168 L HN 0.647 nan 8.230 nan 0.000 0.429 169 D N 4.390 124.709 120.400 -0.136 0.000 2.517 169 D HA -0.038 4.601 4.640 -0.001 0.000 0.220 169 D C 0.932 177.246 176.300 0.024 0.000 1.158 169 D CA -0.076 53.894 54.000 -0.051 0.000 0.992 169 D CB 0.331 41.097 40.800 -0.058 0.000 1.058 169 D HN 0.429 nan 8.370 nan 0.000 0.516 170 F N 2.096 121.974 119.950 -0.121 0.000 2.091 170 F HA -0.236 4.290 4.527 -0.001 0.000 0.299 170 F C 1.776 177.551 175.800 -0.041 0.000 1.103 170 F CA 1.372 59.320 58.000 -0.087 0.000 1.228 170 F CB 0.115 39.069 39.000 -0.077 0.000 0.984 170 F HN 0.281 nan 8.300 nan 0.000 0.477 171 D N 0.126 120.551 120.400 0.041 0.000 2.103 171 D HA -0.242 4.397 4.640 -0.001 0.000 0.190 171 D C 2.372 178.631 176.300 -0.067 0.000 0.997 171 D CA 1.841 55.823 54.000 -0.030 0.000 0.833 171 D CB -0.947 39.855 40.800 0.004 0.000 0.961 171 D HN 0.330 nan 8.370 nan 0.000 0.447 172 A N 1.371 124.171 122.820 -0.033 0.000 1.908 172 A HA -0.159 4.161 4.320 -0.001 0.000 0.218 172 A C 2.128 179.703 177.584 -0.015 0.000 1.181 172 A CA 1.075 53.104 52.037 -0.013 0.000 0.627 172 A CB -0.734 18.272 19.000 0.009 0.000 0.818 172 A HN 0.252 nan 8.150 nan 0.000 0.445 173 L N 0.100 121.297 121.223 -0.042 0.000 1.990 173 L HA -0.175 4.164 4.340 -0.001 0.000 0.213 173 L C 2.278 179.045 176.870 -0.172 0.000 1.072 173 L CA 2.238 57.055 54.840 -0.038 0.000 0.755 173 L CB -1.168 40.824 42.059 -0.110 0.000 0.889 173 L HN 0.464 nan 8.230 nan 0.000 0.432 174 I N 0.063 120.452 120.570 -0.302 0.000 2.315 174 I HA -0.324 3.845 4.170 -0.001 0.000 0.248 174 I C 2.054 178.091 176.117 -0.134 0.000 1.117 174 I CA 1.586 62.724 61.300 -0.269 0.000 1.404 174 I CB -0.219 37.557 38.000 -0.373 0.000 1.071 174 I HN 0.436 nan 8.210 nan 0.000 0.419 175 N N -0.206 118.438 118.700 -0.093 0.000 2.250 175 N HA -0.139 4.600 4.740 -0.001 0.000 0.181 175 N C 1.939 177.426 175.510 -0.039 0.000 1.017 175 N CA 1.273 54.294 53.050 -0.049 0.000 0.866 175 N CB -0.025 38.447 38.487 -0.026 0.000 0.985 175 N HN 0.286 nan 8.380 nan 0.000 0.429 176 S N 1.170 116.857 115.700 -0.022 0.000 2.382 176 S HA -0.060 4.410 4.470 -0.001 0.000 0.228 176 S C 1.788 176.318 174.600 -0.117 0.000 1.027 176 S CA 0.714 58.927 58.200 0.020 0.000 0.991 176 S CB -0.579 62.701 63.200 0.133 0.000 0.823 176 S HN 0.232 nan 8.310 nan 0.000 0.469 177 L N 1.782 122.858 121.223 -0.245 0.000 2.551 177 L HA 0.055 4.394 4.340 -0.001 0.000 0.228 177 L C 2.434 179.075 176.870 -0.381 0.000 1.153 177 L CA 0.354 54.856 54.840 -0.563 0.000 0.851 177 L CB -0.572 41.097 42.059 -0.650 0.000 0.959 177 L HN 0.421 nan 8.230 nan 0.000 0.451 178 N N 0.226 118.831 118.700 -0.158 0.000 2.381 178 N HA -0.174 4.566 4.740 -0.001 0.000 0.182 178 N C 1.433 176.907 175.510 -0.060 0.000 1.025 178 N CA 0.865 53.891 53.050 -0.041 0.000 0.888 178 N CB 0.236 38.713 38.487 -0.017 0.000 0.965 178 N HN 0.438 nan 8.380 nan 0.000 0.438 179 E N 0.186 120.304 120.200 -0.137 0.000 2.482 179 E HA 0.047 4.396 4.350 -0.001 0.000 0.196 179 E C 0.028 176.589 176.600 -0.066 0.000 1.047 179 E CA -0.181 56.209 56.400 -0.017 0.000 0.869 179 E CB 0.239 30.051 29.700 0.187 0.000 0.836 179 E HN 0.240 nan 8.360 nan 0.000 0.520 180 A N 1.528 124.059 122.820 -0.482 0.000 2.362 180 A HA 0.169 4.488 4.320 -0.001 0.000 0.276 180 A C 0.082 177.694 177.584 0.047 0.000 1.153 180 A CA -0.199 51.519 52.037 -0.531 0.000 0.813 180 A CB 0.404 18.487 19.000 -1.529 0.000 1.081 180 A HN 0.072 nan 8.150 nan 0.000 0.507 181 Q N 0.788 120.692 119.800 0.174 0.000 2.382 181 Q HA 0.490 4.829 4.340 -0.001 0.000 0.229 181 Q C 0.482 176.644 176.000 0.269 0.000 1.006 181 Q CA -0.000 55.925 55.803 0.203 0.000 0.916 181 Q CB 0.951 29.793 28.738 0.174 0.000 1.235 181 Q HN 0.916 nan 8.270 nan 0.000 0.512 182 A N 0.544 123.476 122.820 0.186 0.000 2.477 182 A HA 0.456 4.776 4.320 -0.001 0.000 0.246 182 A C 0.980 178.670 177.584 0.176 0.000 1.078 182 A CA 0.590 52.727 52.037 0.166 0.000 0.770 182 A CB -0.548 18.493 19.000 0.067 0.000 1.011 182 A HN 0.965 nan 8.150 nan 0.000 0.494 183 G N 1.855 110.779 108.800 0.205 0.000 2.157 183 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.239 183 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.239 183 G C -0.143 174.868 174.900 0.185 0.000 0.982 183 G CA 0.278 45.481 45.100 0.171 0.000 0.650 183 G HN 0.810 nan 8.290 nan 0.000 0.527 184 D N -0.193 120.350 120.400 0.238 0.000 2.283 184 D HA 0.555 5.195 4.640 -0.001 0.000 0.248 184 D C 0.546 176.953 176.300 0.178 0.000 1.072 184 D CA -0.208 53.918 54.000 0.210 0.000 0.929 184 D CB 1.805 42.743 40.800 0.230 0.000 1.182 184 D HN 0.096 nan 8.370 nan 0.000 0.433 185 V N 1.916 121.905 119.914 0.125 0.000 2.439 185 V HA 0.299 4.419 4.120 -0.001 0.000 0.282 185 V C 0.083 176.172 176.094 -0.008 0.000 1.039 185 V CA -0.613 61.728 62.300 0.069 0.000 0.913 185 V CB 1.707 33.529 31.823 -0.003 0.000 0.983 185 V HN 0.223 nan 8.190 nan 0.000 0.460 186 V N 6.290 126.161 119.914 -0.070 0.000 2.409 186 V HA 0.415 4.535 4.120 -0.001 0.000 0.291 186 V C -0.206 175.652 176.094 -0.394 0.000 1.020 186 V CA -0.516 61.606 62.300 -0.297 0.000 0.848 186 V CB 1.689 33.193 31.823 -0.530 0.000 0.990 186 V HN 0.711 nan 8.190 nan 0.000 0.430 187 L N 5.725 126.714 121.223 -0.390 0.000 2.265 187 L HA 0.603 4.943 4.340 -0.001 0.000 0.288 187 L C -1.220 175.369 176.870 -0.468 0.000 1.058 187 L CA 0.015 54.645 54.840 -0.351 0.000 0.809 187 L CB 0.512 42.406 42.059 -0.276 0.000 1.179 187 L HN 0.481 nan 8.230 nan 0.000 0.429 188 F N 2.350 122.147 119.950 -0.255 0.000 2.508 188 F HA 0.381 4.907 4.527 -0.001 0.000 0.325 188 F C -0.096 175.682 175.800 -0.037 0.000 1.090 188 F CA -0.658 57.211 58.000 -0.219 0.000 0.945 188 F CB 1.226 39.767 39.000 -0.766 0.000 1.156 188 F HN 0.397 nan 8.300 nan 0.000 0.463 189 H N 1.359 120.601 119.070 0.287 0.000 2.723 189 H HA 0.265 4.821 4.556 -0.001 0.000 0.294 189 H C 1.197 176.779 175.328 0.423 0.000 1.079 189 H CA -0.077 56.157 56.048 0.311 0.000 1.411 189 H CB 1.091 31.024 29.762 0.284 0.000 1.439 189 H HN 0.798 nan 8.280 nan 0.000 0.474 190 G N 2.539 111.538 108.800 0.331 0.000 2.529 190 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.219 190 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.219 190 G C 0.322 175.332 174.900 0.183 0.000 1.177 190 G CA 1.255 46.255 45.100 -0.166 0.000 0.773 190 G HN 0.815 nan 8.290 nan 0.000 0.573 191 C N -5.483 114.095 119.300 0.463 0.000 3.306 191 C HA 0.533 4.992 4.460 -0.001 0.000 0.335 191 C C 0.286 175.565 174.990 0.481 0.000 1.382 191 C CA -0.968 58.359 59.018 0.515 0.000 1.254 191 C CB 0.685 28.724 27.740 0.498 0.000 1.555 191 C HN 1.031 nan 8.230 nan 0.000 0.463 192 C N 2.331 121.851 119.300 0.366 0.000 3.690 192 C HA -0.117 4.342 4.460 -0.001 0.000 0.295 192 C C 0.504 175.630 174.990 0.227 0.000 1.283 192 C CA 1.075 60.219 59.018 0.209 0.000 2.212 192 C CB -3.253 24.499 27.740 0.019 0.000 1.407 192 C HN 1.241 nan 8.230 nan 0.000 0.595 193 H N 1.904 121.094 119.070 0.199 0.000 3.125 193 H HA 0.058 4.614 4.556 -0.001 0.000 0.310 193 H C 0.485 175.836 175.328 0.039 0.000 0.980 193 H CA 1.260 57.366 56.048 0.096 0.000 1.422 193 H CB 0.510 30.242 29.762 -0.050 0.000 1.432 193 H HN 0.710 nan 8.280 nan 0.000 0.577 194 N N 7.059 125.593 118.700 -0.278 0.000 2.444 194 N HA 0.168 4.907 4.740 -0.001 0.000 0.262 194 N C -2.279 172.961 175.510 -0.450 0.000 0.974 194 N CA -2.282 50.653 53.050 -0.192 0.000 0.933 194 N CB 1.481 39.990 38.487 0.038 0.000 1.137 194 N HN 0.386 nan 8.380 nan 0.000 0.498 195 P HA 0.141 nan 4.420 nan 0.000 0.282 195 P C 0.776 177.815 177.300 -0.435 0.000 1.373 195 P CA 0.165 63.001 63.100 -0.439 0.000 1.001 195 P CB 0.312 31.641 31.700 -0.619 0.000 1.489 196 T N -3.885 110.515 114.554 -0.257 0.000 2.942 196 T HA 0.135 4.484 4.350 -0.001 0.000 0.265 196 T C 1.732 176.449 174.700 0.028 0.000 1.062 196 T CA 1.467 63.393 62.100 -0.290 0.000 1.139 196 T CB -1.252 67.380 68.868 -0.394 0.000 0.883 196 T HN 0.174 nan 8.240 nan 0.000 0.468 197 G N 1.023 109.914 108.800 0.151 0.000 2.179 197 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.260 197 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.260 197 G C -0.067 174.959 174.900 0.209 0.000 0.977 197 G CA 0.190 45.395 45.100 0.176 0.000 0.641 197 G HN 0.656 nan 8.290 nan 0.000 0.533 198 I N 1.850 122.554 120.570 0.225 0.000 2.336 198 I HA 0.491 4.661 4.170 -0.001 0.000 0.292 198 I C -0.577 175.685 176.117 0.241 0.000 0.991 198 I CA -0.596 60.831 61.300 0.212 0.000 1.227 198 I CB 1.488 39.609 38.000 0.201 0.000 1.366 198 I HN -0.052 nan 8.210 nan 0.000 0.466 199 D N 7.493 128.012 120.400 0.197 0.000 2.340 199 D HA 0.470 5.110 4.640 -0.001 0.000 0.240 199 D C -2.419 173.890 176.300 0.015 0.000 1.001 199 D CA -1.434 52.689 54.000 0.205 0.000 0.888 199 D CB 1.415 42.401 40.800 0.310 0.000 1.310 199 D HN 0.139 nan 8.370 nan 0.000 0.474 200 P HA 0.133 nan 4.420 nan 0.000 0.272 200 P C 0.150 177.271 177.300 -0.299 0.000 1.223 200 P CA -0.339 62.492 63.100 -0.449 0.000 0.784 200 P CB 0.281 31.382 31.700 -0.997 0.000 0.923 201 T N -1.009 113.410 114.554 -0.224 0.000 2.732 201 T HA 0.117 4.466 4.350 -0.001 0.000 0.287 201 T C 1.293 176.039 174.700 0.077 0.000 0.993 201 T CA -0.623 61.454 62.100 -0.039 0.000 0.966 201 T CB 0.162 68.985 68.868 -0.075 0.000 1.047 201 T HN 0.246 nan 8.240 nan 0.000 0.527 202 L N -0.026 121.320 121.223 0.204 0.000 2.093 202 L HA -0.060 4.279 4.340 -0.001 0.000 0.208 202 L C 2.841 179.831 176.870 0.200 0.000 1.085 202 L CA 1.678 56.703 54.840 0.309 0.000 0.755 202 L CB -0.508 41.674 42.059 0.206 0.000 0.904 202 L HN 0.833 nan 8.230 nan 0.000 0.435 203 E N -0.604 119.638 120.200 0.071 0.000 2.072 203 E HA -0.268 4.081 4.350 -0.001 0.000 0.191 203 E C 2.109 178.703 176.600 -0.011 0.000 0.985 203 E CA 1.094 57.509 56.400 0.026 0.000 0.801 203 E CB 0.021 29.706 29.700 -0.026 0.000 0.750 203 E HN 0.586 nan 8.360 nan 0.000 0.452 204 Q N -0.480 119.225 119.800 -0.157 0.000 2.124 204 Q HA -0.178 4.162 4.340 -0.001 0.000 0.202 204 Q C 1.759 177.764 176.000 0.008 0.000 0.977 204 Q CA 1.325 56.921 55.803 -0.345 0.000 0.850 204 Q CB -0.142 28.126 28.738 -0.784 0.000 0.901 204 Q HN 0.416 nan 8.270 nan 0.000 0.429 205 W N 0.927 122.282 121.300 0.092 0.000 2.358 205 W HA -0.200 4.459 4.660 -0.001 0.000 0.303 205 W C 2.357 178.969 176.519 0.154 0.000 1.208 205 W CA 0.782 58.247 57.345 0.200 0.000 1.274 205 W CB 0.072 29.651 29.460 0.197 0.000 1.138 205 W HN 0.220 nan 8.180 nan 0.000 0.515 206 Q N -0.689 119.303 119.800 0.319 0.000 2.084 206 Q HA -0.171 4.168 4.340 -0.001 0.000 0.202 206 Q C 2.090 178.147 176.000 0.095 0.000 0.978 206 Q CA 2.266 58.161 55.803 0.153 0.000 0.844 206 Q CB -0.514 28.288 28.738 0.108 0.000 0.898 206 Q HN 0.154 nan 8.270 nan 0.000 0.426 207 T N 1.045 115.685 114.554 0.142 0.000 2.674 207 T HA -0.118 4.232 4.350 -0.001 0.000 0.265 207 T C 1.770 176.564 174.700 0.157 0.000 1.039 207 T CA 0.934 63.130 62.100 0.160 0.000 1.150 207 T CB -0.268 68.766 68.868 0.277 0.000 0.864 207 T HN 0.187 nan 8.240 nan 0.000 0.427 208 L N 0.731 122.112 121.223 0.262 0.000 2.127 208 L HA -0.146 4.193 4.340 -0.001 0.000 0.211 208 L C 2.921 179.782 176.870 -0.015 0.000 1.089 208 L CA 1.182 56.176 54.840 0.256 0.000 0.757 208 L CB -0.592 41.706 42.059 0.400 0.000 0.899 208 L HN 0.264 nan 8.230 nan 0.000 0.434 209 A N -0.764 121.867 122.820 -0.316 0.000 2.015 209 A HA -0.184 4.135 4.320 -0.001 0.000 0.219 209 A C 2.191 179.590 177.584 -0.308 0.000 1.163 209 A CA 1.156 52.727 52.037 -0.777 0.000 0.646 209 A CB -0.210 18.361 19.000 -0.716 0.000 0.806 209 A HN 0.507 nan 8.150 nan 0.000 0.448 210 Q N -1.208 118.488 119.800 -0.174 0.000 2.089 210 Q HA 0.005 4.344 4.340 -0.001 0.000 0.195 210 Q C 1.963 177.852 176.000 -0.185 0.000 0.963 210 Q CA 0.861 56.571 55.803 -0.155 0.000 0.834 210 Q CB -0.294 28.386 28.738 -0.096 0.000 0.906 210 Q HN 0.473 nan 8.270 nan 0.000 0.452 211 L N 1.418 122.549 121.223 -0.153 0.000 2.013 211 L HA -0.240 4.099 4.340 -0.001 0.000 0.212 211 L C 2.595 179.145 176.870 -0.534 0.000 1.073 211 L CA 2.313 56.998 54.840 -0.260 0.000 0.753 211 L CB -0.893 41.095 42.059 -0.118 0.000 0.890 211 L HN 0.278 nan 8.230 nan 0.000 0.432 212 S N -1.749 113.751 115.700 -0.333 0.000 2.400 212 S HA -0.162 4.308 4.470 -0.001 0.000 0.232 212 S C 1.910 176.358 174.600 -0.254 0.000 1.025 212 S CA 1.594 59.635 58.200 -0.265 0.000 0.993 212 S CB -0.772 62.805 63.200 0.628 0.000 0.808 212 S HN 0.226 nan 8.310 nan 0.000 0.478 213 V N 1.947 121.690 119.914 -0.285 0.000 2.407 213 V HA -0.054 4.065 4.120 -0.001 0.000 0.245 213 V C 2.821 178.734 176.094 -0.302 0.000 1.041 213 V CA 1.893 63.974 62.300 -0.364 0.000 1.040 213 V CB -0.843 30.716 31.823 -0.439 0.000 0.671 213 V HN 0.611 nan 8.190 nan 0.000 0.455 214 E N 0.547 120.560 120.200 -0.311 0.000 2.106 214 E HA -0.215 4.135 4.350 -0.001 0.000 0.192 214 E C 1.981 178.387 176.600 -0.323 0.000 0.984 214 E CA 1.069 57.308 56.400 -0.268 0.000 0.806 214 E CB 0.052 29.616 29.700 -0.226 0.000 0.750 214 E HN 0.494 nan 8.360 nan 0.000 0.458 215 K N -0.810 119.265 120.400 -0.541 0.000 2.426 215 K HA 0.047 4.366 4.320 -0.001 0.000 0.193 215 K C 0.920 177.194 176.600 -0.544 0.000 1.028 215 K CA 0.647 56.542 56.287 -0.653 0.000 1.047 215 K CB 0.666 32.496 32.500 -1.117 0.000 0.821 215 K HN 0.305 nan 8.250 nan 0.000 0.513 216 G N 1.849 110.410 108.800 -0.398 0.000 2.160 216 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.244 216 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.244 216 G C -0.289 174.653 174.900 0.069 0.000 1.022 216 G CA -0.170 44.853 45.100 -0.127 0.000 0.741 216 G HN 0.120 nan 8.290 nan 0.000 0.508 217 W N -0.754 120.616 121.300 0.116 0.000 2.283 217 W HA 0.677 5.337 4.660 -0.001 0.000 0.341 217 W C 0.569 177.220 176.519 0.219 0.000 1.206 217 W CA -1.478 55.949 57.345 0.136 0.000 1.294 217 W CB 0.496 30.028 29.460 0.120 0.000 1.154 217 W HN 0.045 nan 8.180 nan 0.000 0.613 218 L N 5.244 126.726 121.223 0.431 0.000 2.264 218 L HA 0.317 4.656 4.340 -0.001 0.000 0.287 218 L C -2.178 174.884 176.870 0.319 0.000 1.039 218 L CA -1.794 53.252 54.840 0.345 0.000 0.829 218 L CB 1.257 43.470 42.059 0.258 0.000 1.211 218 L HN -0.062 nan 8.230 nan 0.000 0.427 219 P HA 0.192 nan 4.420 nan 0.000 0.281 219 P C -0.932 176.519 177.300 0.250 0.000 1.252 219 P CA -0.157 63.132 63.100 0.316 0.000 0.778 219 P CB 1.098 33.017 31.700 0.364 0.000 0.895 220 L N 4.564 125.869 121.223 0.137 0.000 2.345 220 L HA 0.463 4.802 4.340 -0.001 0.000 0.274 220 L C -1.105 175.814 176.870 0.081 0.000 0.999 220 L CA -0.831 54.099 54.840 0.149 0.000 0.849 220 L CB 0.259 42.381 42.059 0.105 0.000 1.220 220 L HN 0.196 nan 8.230 nan 0.000 0.422 221 F N 2.644 122.645 119.950 0.085 0.000 2.411 221 F HA 0.239 4.765 4.527 -0.001 0.000 0.350 221 F C 0.546 176.385 175.800 0.065 0.000 1.114 221 F CA -0.250 57.773 58.000 0.039 0.000 1.135 221 F CB 1.112 40.049 39.000 -0.105 0.000 1.120 221 F HN 0.375 nan 8.300 nan 0.000 0.495 222 D N 4.238 124.756 120.400 0.195 0.000 2.396 222 D HA 0.122 4.761 4.640 -0.001 0.000 0.225 222 D C -1.305 175.138 176.300 0.238 0.000 1.121 222 D CA -0.103 53.995 54.000 0.162 0.000 0.853 222 D CB 0.104 40.943 40.800 0.065 0.000 1.043 222 D HN 0.122 nan 8.370 nan 0.000 0.500 223 F N 3.233 123.223 119.950 0.066 0.000 2.307 223 F HA 0.488 5.014 4.527 -0.001 0.000 0.369 223 F C 0.469 176.217 175.800 -0.085 0.000 1.076 223 F CA -1.372 56.648 58.000 0.033 0.000 1.149 223 F CB 0.935 39.925 39.000 -0.017 0.000 1.410 223 F HN 0.457 nan 8.300 nan 0.000 0.481 224 A N 3.787 126.679 122.820 0.120 0.000 2.419 224 A HA 0.187 4.507 4.320 -0.001 0.000 0.233 224 A C -0.205 177.074 177.584 -0.508 0.000 1.217 224 A CA 0.213 52.066 52.037 -0.307 0.000 0.944 224 A CB -0.122 18.542 19.000 -0.561 0.000 1.025 224 A HN 0.516 nan 8.150 nan 0.000 0.524 225 Y N 0.384 120.739 120.300 0.093 0.000 2.699 225 Y HA 0.309 4.859 4.550 -0.001 0.000 0.282 225 Y C 0.604 176.652 175.900 0.246 0.000 1.058 225 Y CA -0.676 57.523 58.100 0.165 0.000 1.194 225 Y CB 0.102 38.634 38.460 0.121 0.000 1.193 225 Y HN 0.373 nan 8.280 nan 0.000 0.562 226 Q N 0.817 120.621 119.800 0.007 0.000 2.255 226 Q HA 0.324 4.663 4.340 -0.001 0.000 0.280 226 Q C 1.130 177.139 176.000 0.015 0.000 1.068 226 Q CA 1.462 57.163 55.803 -0.169 0.000 0.911 226 Q CB 0.277 28.591 28.738 -0.707 0.000 1.157 226 Q HN 0.820 nan 8.270 nan 0.000 0.380 227 G N 3.374 112.179 108.800 0.007 0.000 2.218 227 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.216 227 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.216 227 G C 0.168 174.912 174.900 -0.260 0.000 0.994 227 G CA 0.064 45.056 45.100 -0.181 0.000 0.637 227 G HN 0.658 nan 8.290 nan 0.000 0.505 228 F N 1.465 121.439 119.950 0.041 0.000 2.789 228 F HA 0.573 5.099 4.527 -0.001 0.000 0.300 228 F C 2.426 178.254 175.800 0.047 0.000 1.132 228 F CA 1.251 59.276 58.000 0.041 0.000 1.404 228 F CB 0.250 39.305 39.000 0.091 0.000 1.114 228 F HN 0.383 nan 8.300 nan 0.000 0.584 229 A N 0.093 123.042 122.820 0.214 0.000 1.941 229 A HA 0.205 4.525 4.320 -0.001 0.000 0.214 229 A C 2.096 179.741 177.584 0.102 0.000 1.368 229 A CA 0.563 52.704 52.037 0.173 0.000 0.651 229 A CB 0.008 19.139 19.000 0.217 0.000 1.064 229 A HN 0.207 nan 8.150 nan 0.000 0.492 230 R N -2.354 118.194 120.500 0.081 0.000 2.444 230 R HA 0.390 4.729 4.340 -0.001 0.000 0.201 230 R C 0.532 176.825 176.300 -0.012 0.000 0.861 230 R CA 0.662 56.787 56.100 0.041 0.000 1.034 230 R CB 1.362 31.701 30.300 0.065 0.000 1.347 230 R HN 0.629 nan 8.270 nan 0.000 0.659 234 E N 1.284 121.479 120.200 -0.008 0.000 2.076 234 E HA -0.119 4.231 4.350 -0.001 0.000 0.190 234 E C 1.567 178.187 176.600 0.033 0.000 0.979 234 E CA 1.261 57.668 56.400 0.012 0.000 0.807 234 E CB 0.225 29.927 29.700 0.004 0.000 0.761 234 E HN 0.422 nan 8.360 nan 0.000 0.454 235 E N 1.211 121.432 120.200 0.035 0.000 2.077 235 E HA -0.165 4.184 4.350 -0.001 0.000 0.193 235 E C 1.603 178.261 176.600 0.097 0.000 0.989 235 E CA 1.291 57.726 56.400 0.058 0.000 0.800 235 E CB -0.105 29.628 29.700 0.055 0.000 0.746 235 E HN 0.136 nan 8.360 nan 0.000 0.452 236 D N -0.501 119.974 120.400 0.126 0.000 2.309 236 D HA -0.069 4.570 4.640 -0.001 0.000 0.212 236 D C 1.200 177.676 176.300 0.294 0.000 0.968 236 D CA 1.105 55.241 54.000 0.228 0.000 0.882 236 D CB -0.044 40.903 40.800 0.244 0.000 0.918 236 D HN 0.218 nan 8.370 nan 0.000 0.503 237 A N -0.015 122.922 122.820 0.195 0.000 2.308 237 A HA 0.060 4.379 4.320 -0.001 0.000 0.217 237 A C 1.787 179.312 177.584 -0.099 0.000 1.216 237 A CA -0.011 52.101 52.037 0.124 0.000 0.864 237 A CB -0.047 19.037 19.000 0.141 0.000 0.902 237 A HN 0.054 nan 8.150 nan 0.000 0.499 238 E N 0.225 120.376 120.200 -0.082 0.000 2.033 238 E HA -0.210 4.140 4.350 -0.001 0.000 0.199 238 E C 2.170 178.607 176.600 -0.271 0.000 1.011 238 E CA 1.297 57.635 56.400 -0.104 0.000 0.815 238 E CB -0.376 29.319 29.700 -0.009 0.000 0.755 238 E HN 0.582 nan 8.360 nan 0.000 0.451 239 G N 1.720 110.135 108.800 -0.642 0.000 2.553 239 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.218 239 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.218 239 G C 1.531 175.959 174.900 -0.788 0.000 1.195 239 G CA 0.877 45.178 45.100 -1.332 0.000 0.779 239 G HN 0.210 nan 8.290 nan 0.000 0.577 240 L N -0.194 120.427 121.223 -1.003 0.000 2.043 240 L HA -0.146 4.193 4.340 -0.001 0.000 0.212 240 L C 3.164 179.805 176.870 -0.381 0.000 1.075 240 L CA 1.828 56.026 54.840 -1.071 0.000 0.752 240 L CB -0.186 41.255 42.059 -1.030 0.000 0.891 240 L HN 0.193 nan 8.230 nan 0.000 0.432 241 R N -0.682 119.691 120.500 -0.212 0.000 2.115 241 R HA -0.064 4.276 4.340 -0.001 0.000 0.226 241 R C 2.301 178.614 176.300 0.022 0.000 1.100 241 R CA 1.242 57.330 56.100 -0.020 0.000 0.980 241 R CB -0.394 29.909 30.300 0.004 0.000 0.875 241 R HN 0.489 nan 8.270 nan 0.000 0.445 242 A N -0.088 122.742 122.820 0.015 0.000 1.873 242 A HA -0.141 4.178 4.320 -0.001 0.000 0.215 242 A C 1.834 179.501 177.584 0.137 0.000 1.186 242 A CA 1.132 53.218 52.037 0.082 0.000 0.616 242 A CB -0.615 18.460 19.000 0.124 0.000 0.823 242 A HN 0.241 nan 8.150 nan 0.000 0.442 243 F N 0.288 120.234 119.950 -0.007 0.000 2.134 243 F HA -0.115 4.412 4.527 -0.001 0.000 0.299 243 F C 2.761 178.636 175.800 0.124 0.000 1.097 243 F CA 1.081 59.133 58.000 0.087 0.000 1.264 243 F CB -0.429 38.585 39.000 0.025 0.000 1.001 243 F HN 0.257 nan 8.300 nan 0.000 0.479 244 A N -0.393 122.547 122.820 0.201 0.000 2.019 244 A HA -0.028 4.291 4.320 -0.001 0.000 0.219 244 A C 2.329 179.949 177.584 0.061 0.000 1.164 244 A CA 1.501 53.602 52.037 0.107 0.000 0.644 244 A CB -1.151 17.874 19.000 0.043 0.000 0.805 244 A HN 0.300 nan 8.150 nan 0.000 0.449 245 A N -0.823 122.036 122.820 0.064 0.000 2.014 245 A HA 0.046 4.365 4.320 -0.001 0.000 0.218 245 A C 2.140 179.739 177.584 0.026 0.000 1.163 245 A CA 1.512 53.565 52.037 0.027 0.000 0.652 245 A CB -0.347 18.666 19.000 0.021 0.000 0.808 245 A HN 0.525 nan 8.150 nan 0.000 0.449 246 M N -1.487 118.153 119.600 0.067 0.000 2.657 246 M HA 0.150 4.630 4.480 -0.001 0.000 0.262 246 M C 0.145 176.414 176.300 -0.051 0.000 1.213 246 M CA 0.315 55.608 55.300 -0.012 0.000 1.182 246 M CB -0.482 32.073 32.600 -0.075 0.000 1.303 246 M HN 0.327 nan 8.290 nan 0.000 0.501 247 H N 0.819 119.904 119.070 0.024 0.000 2.562 247 H HA 0.123 4.678 4.556 -0.001 0.000 0.352 247 H C 0.824 176.177 175.328 0.042 0.000 1.125 247 H CA 0.458 56.544 56.048 0.062 0.000 1.379 247 H CB 1.338 31.198 29.762 0.163 0.000 1.464 247 H HN -0.047 nan 8.280 nan 0.000 0.563 248 K N 0.727 121.212 120.400 0.142 0.000 2.211 248 K HA 0.075 4.395 4.320 -0.001 0.000 0.201 248 K C -0.453 176.221 176.600 0.124 0.000 1.052 248 K CA 0.795 57.136 56.287 0.090 0.000 0.973 248 K CB 0.610 33.144 32.500 0.057 0.000 0.766 248 K HN 0.670 nan 8.250 nan 0.000 0.466 249 E N 0.247 120.567 120.200 0.200 0.000 2.293 249 E HA 0.401 4.750 4.350 -0.001 0.000 0.270 249 E C -1.436 175.315 176.600 0.252 0.000 0.879 249 E CA -0.798 55.724 56.400 0.202 0.000 0.756 249 E CB 2.328 32.147 29.700 0.199 0.000 1.208 249 E HN -0.081 nan 8.360 nan 0.000 0.428 250 L N 2.749 124.104 121.223 0.221 0.000 2.653 250 L HA 0.527 4.866 4.340 -0.001 0.000 0.257 250 L C -1.709 175.306 176.870 0.241 0.000 0.969 250 L CA -0.582 54.404 54.840 0.242 0.000 0.869 250 L CB 2.131 44.316 42.059 0.210 0.000 1.439 250 L HN 0.655 nan 8.230 nan 0.000 0.414 251 I N 3.077 123.809 120.570 0.269 0.000 2.499 251 I HA 0.483 4.653 4.170 -0.001 0.000 0.288 251 I C -0.829 175.450 176.117 0.269 0.000 1.048 251 I CA -0.796 60.654 61.300 0.250 0.000 1.062 251 I CB 2.339 40.490 38.000 0.251 0.000 1.238 251 I HN 0.148 nan 8.210 nan 0.000 0.426 252 V N 4.914 124.965 119.914 0.228 0.000 2.444 252 V HA 0.602 4.722 4.120 -0.001 0.000 0.294 252 V C 0.107 176.302 176.094 0.169 0.000 1.022 252 V CA -0.600 61.824 62.300 0.206 0.000 0.850 252 V CB 1.631 33.533 31.823 0.130 0.000 0.992 252 V HN 0.818 nan 8.190 nan 0.000 0.426 253 A N 3.955 126.887 122.820 0.186 0.000 2.256 253 A HA 0.829 5.148 4.320 -0.001 0.000 0.317 253 A C 0.225 177.873 177.584 0.106 0.000 1.318 253 A CA -0.323 51.800 52.037 0.144 0.000 0.894 253 A CB 0.728 19.829 19.000 0.168 0.000 1.165 253 A HN 1.017 nan 8.150 nan 0.000 0.525 254 S N 1.402 117.111 115.700 0.016 0.000 2.600 254 S HA 0.855 5.325 4.470 -0.001 0.000 0.300 254 S C -0.229 174.237 174.600 -0.223 0.000 1.087 254 S CA -0.563 57.569 58.200 -0.113 0.000 0.965 254 S CB 1.813 64.869 63.200 -0.240 0.000 1.089 254 S HN 1.080 nan 8.310 nan 0.000 0.496 255 S N -0.099 115.394 115.700 -0.344 0.000 2.548 255 S HA 0.618 5.087 4.470 -0.001 0.000 0.286 255 S C -1.414 172.913 174.600 -0.456 0.000 1.098 255 S CA -0.585 57.420 58.200 -0.325 0.000 0.930 255 S CB 0.807 63.851 63.200 -0.260 0.000 1.070 255 S HN 0.693 nan 8.310 nan 0.000 0.480 256 Y N 2.019 122.269 120.300 -0.084 0.000 2.584 256 Y HA 0.315 4.865 4.550 -0.001 0.000 0.254 256 Y C 2.123 177.984 175.900 -0.065 0.000 1.177 256 Y CA -0.189 57.879 58.100 -0.054 0.000 1.216 256 Y CB 0.211 38.547 38.460 -0.207 0.000 1.172 256 Y HN 0.577 nan 8.280 nan 0.000 0.529 257 S N 0.180 115.856 115.700 -0.040 0.000 2.368 257 S HA -0.164 4.305 4.470 -0.001 0.000 0.225 257 S C 1.810 176.154 174.600 -0.427 0.000 1.030 257 S CA 1.641 59.727 58.200 -0.190 0.000 0.999 257 S CB 0.059 63.190 63.200 -0.114 0.000 0.844 257 S HN 0.350 nan 8.310 nan 0.000 0.459 258 K N 1.779 122.041 120.400 -0.229 0.000 2.168 258 K HA 0.107 4.426 4.320 -0.001 0.000 0.201 258 K C 1.607 178.339 176.600 0.220 0.000 1.049 258 K CA 0.971 57.170 56.287 -0.146 0.000 0.974 258 K CB -0.265 32.078 32.500 -0.262 0.000 0.792 258 K HN 0.373 nan 8.250 nan 0.000 0.463 259 N N -0.042 118.895 118.700 0.394 0.000 2.512 259 N HA -0.102 4.638 4.740 -0.001 0.000 0.183 259 N C 0.506 176.208 175.510 0.320 0.000 1.073 259 N CA 1.032 54.339 53.050 0.428 0.000 0.911 259 N CB -0.172 38.547 38.487 0.387 0.000 0.964 259 N HN 0.110 nan 8.380 nan 0.000 0.447 260 F N -0.837 119.216 119.950 0.173 0.000 2.729 260 F HA 0.450 4.976 4.527 -0.001 0.000 0.315 260 F C 1.534 177.314 175.800 -0.033 0.000 1.102 260 F CA -0.271 57.781 58.000 0.086 0.000 1.204 260 F CB 0.386 39.327 39.000 -0.098 0.000 1.052 260 F HN 0.127 nan 8.300 nan 0.000 0.551 261 G N 1.429 110.213 108.800 -0.026 0.000 2.321 261 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.287 261 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.287 261 G C 0.645 175.430 174.900 -0.191 0.000 1.018 261 G CA 0.436 45.422 45.100 -0.190 0.000 0.855 261 G HN 0.440 nan 8.290 nan 0.000 0.507 262 L N -0.425 120.656 121.223 -0.236 0.000 2.848 262 L HA 0.242 4.581 4.340 -0.001 0.000 0.240 262 L C 2.201 179.034 176.870 -0.062 0.000 1.232 262 L CA -0.698 54.094 54.840 -0.080 0.000 1.031 262 L CB -0.383 41.658 42.059 -0.029 0.000 1.338 262 L HN 0.361 nan 8.230 nan 0.000 0.509 263 Y N 0.845 121.187 120.300 0.070 0.000 2.024 263 Y HA -0.425 4.125 4.550 -0.001 0.000 0.257 263 Y C 2.403 178.318 175.900 0.025 0.000 1.233 263 Y CA 2.073 60.196 58.100 0.039 0.000 1.087 263 Y CB -0.951 37.531 38.460 0.037 0.000 0.905 263 Y HN 0.549 nan 8.280 nan 0.000 0.503 264 N N -0.208 118.611 118.700 0.199 0.000 2.461 264 N HA -0.085 4.654 4.740 -0.001 0.000 0.188 264 N C 0.705 176.250 175.510 0.057 0.000 1.134 264 N CA 0.869 53.981 53.050 0.104 0.000 0.878 264 N CB -0.349 38.189 38.487 0.085 0.000 0.972 264 N HN 0.441 nan 8.380 nan 0.000 0.456 265 E N 0.590 120.822 120.200 0.053 0.000 2.474 265 E HA 0.057 4.406 4.350 -0.001 0.000 0.194 265 E C -0.274 176.318 176.600 -0.014 0.000 1.041 265 E CA -0.060 56.358 56.400 0.031 0.000 0.874 265 E CB 0.130 29.865 29.700 0.058 0.000 0.914 265 E HN 0.162 nan 8.360 nan 0.000 0.498 266 R N -0.097 120.395 120.500 -0.013 0.000 2.873 266 R HA -0.116 4.223 4.340 -0.001 0.000 0.281 266 R C -0.806 175.453 176.300 -0.068 0.000 0.933 266 R CA 0.220 56.294 56.100 -0.043 0.000 0.712 266 R CB -3.015 27.240 30.300 -0.075 0.000 1.780 266 R HN -0.078 nan 8.270 nan 0.000 0.488 267 V N 0.492 120.388 119.914 -0.030 0.000 2.407 267 V HA 0.922 5.042 4.120 -0.001 0.000 0.291 267 V C 1.026 177.203 176.094 0.138 0.000 1.018 267 V CA -0.047 62.256 62.300 0.006 0.000 0.842 267 V CB 2.201 34.028 31.823 0.006 0.000 0.996 267 V HN 0.789 nan 8.190 nan 0.000 0.426 268 G N 2.679 111.576 108.800 0.162 0.000 2.663 268 G HA2 0.916 4.875 3.960 -0.001 0.000 0.299 268 G HA3 0.916 4.875 3.960 -0.001 0.000 0.299 268 G C -1.506 173.560 174.900 0.277 0.000 1.372 268 G CA -0.140 45.056 45.100 0.160 0.000 0.781 268 G HN 1.190 nan 8.290 nan 0.000 0.491 269 A N -1.563 121.361 122.820 0.173 0.000 2.549 269 A HA 0.635 4.954 4.320 -0.001 0.000 0.297 269 A C -1.164 176.503 177.584 0.138 0.000 1.061 269 A CA -0.362 51.812 52.037 0.228 0.000 0.690 269 A CB 1.487 20.632 19.000 0.242 0.000 1.287 269 A HN 1.739 nan 8.150 nan 0.000 0.402 270 C N 2.121 121.524 119.300 0.173 0.000 2.271 270 C HA 0.753 5.212 4.460 -0.001 0.000 0.323 270 C C 0.104 175.191 174.990 0.161 0.000 1.245 270 C CA 0.040 59.152 59.018 0.157 0.000 1.548 270 C CB -0.726 27.109 27.740 0.159 0.000 2.214 270 C HN 0.777 nan 8.230 nan 0.000 0.477 271 T N 6.876 121.511 114.554 0.135 0.000 2.771 271 T HA 0.388 4.738 4.350 -0.001 0.000 0.281 271 T C -0.474 174.315 174.700 0.149 0.000 0.982 271 T CA -0.169 62.010 62.100 0.133 0.000 0.978 271 T CB 1.004 69.953 68.868 0.135 0.000 0.930 271 T HN 0.647 nan 8.240 nan 0.000 0.447 272 L N 4.666 125.949 121.223 0.100 0.000 2.287 272 L HA 0.662 5.002 4.340 -0.001 0.000 0.287 272 L C -1.038 175.867 176.870 0.059 0.000 1.022 272 L CA -0.668 54.219 54.840 0.078 0.000 0.814 272 L CB 0.922 43.014 42.059 0.055 0.000 1.217 272 L HN 0.394 nan 8.230 nan 0.000 0.420 273 V N 4.215 124.185 119.914 0.092 0.000 2.604 273 V HA 0.840 4.959 4.120 -0.001 0.000 0.305 273 V C -0.023 176.114 176.094 0.072 0.000 1.043 273 V CA -0.421 61.906 62.300 0.044 0.000 0.888 273 V CB 1.584 33.416 31.823 0.016 0.000 0.995 273 V HN 0.897 nan 8.190 nan 0.000 0.429 274 A N 2.833 125.679 122.820 0.042 0.000 2.524 274 A HA 0.915 5.235 4.320 -0.001 0.000 0.286 274 A C 1.016 178.621 177.584 0.035 0.000 1.203 274 A CA 0.085 52.161 52.037 0.065 0.000 0.736 274 A CB 1.190 20.238 19.000 0.082 0.000 1.322 274 A HN 1.185 nan 8.150 nan 0.000 0.424 275 A N -0.410 122.436 122.820 0.044 0.000 1.908 275 A HA 0.203 4.522 4.320 -0.001 0.000 0.218 275 A C 0.620 178.209 177.584 0.009 0.000 1.181 275 A CA 2.481 54.533 52.037 0.025 0.000 0.627 275 A CB -0.764 18.255 19.000 0.031 0.000 0.818 275 A HN 1.088 nan 8.150 nan 0.000 0.445 276 D N -4.406 116.003 120.400 0.014 0.000 2.626 276 D HA 0.399 5.038 4.640 -0.001 0.000 0.278 276 D C 0.590 176.894 176.300 0.007 0.000 1.211 276 D CA 0.090 54.093 54.000 0.005 0.000 0.903 276 D CB 0.634 41.439 40.800 0.009 0.000 1.408 276 D HN -0.074 nan 8.370 nan 0.000 0.454 277 S N -0.723 114.977 115.700 -0.001 0.000 2.368 277 S HA -0.248 4.221 4.470 -0.001 0.000 0.225 277 S C 1.507 176.117 174.600 0.016 0.000 1.030 277 S CA 1.647 59.846 58.200 -0.002 0.000 0.999 277 S CB -0.523 62.673 63.200 -0.007 0.000 0.844 277 S HN 0.518 nan 8.310 nan 0.000 0.459 278 E N 0.324 120.538 120.200 0.023 0.000 2.110 278 E HA -0.116 4.234 4.350 -0.001 0.000 0.193 278 E C 1.966 178.597 176.600 0.051 0.000 0.988 278 E CA 1.714 58.135 56.400 0.035 0.000 0.804 278 E CB -0.639 29.079 29.700 0.030 0.000 0.745 278 E HN 0.635 nan 8.360 nan 0.000 0.458 279 T N 0.823 115.408 114.554 0.051 0.000 2.701 279 T HA -0.115 4.234 4.350 -0.001 0.000 0.263 279 T C 1.943 176.699 174.700 0.093 0.000 1.040 279 T CA 1.300 63.442 62.100 0.071 0.000 1.147 279 T CB -0.540 68.368 68.868 0.066 0.000 0.865 279 T HN 0.064 nan 8.240 nan 0.000 0.426 280 V N 2.057 122.014 119.914 0.072 0.000 2.380 280 V HA -0.220 3.899 4.120 -0.001 0.000 0.251 280 V C 1.983 178.144 176.094 0.111 0.000 1.063 280 V CA 2.106 64.451 62.300 0.076 0.000 1.055 280 V CB -0.588 31.243 31.823 0.014 0.000 0.657 280 V HN 0.400 nan 8.190 nan 0.000 0.455 281 D N -0.699 119.757 120.400 0.093 0.000 2.144 281 D HA -0.132 4.507 4.640 -0.001 0.000 0.200 281 D C 2.304 178.711 176.300 0.177 0.000 0.978 281 D CA 1.229 55.309 54.000 0.133 0.000 0.833 281 D CB -0.251 40.601 40.800 0.085 0.000 0.961 281 D HN 0.412 nan 8.370 nan 0.000 0.470 282 R N 0.333 120.917 120.500 0.141 0.000 2.062 282 R HA -0.002 4.337 4.340 -0.001 0.000 0.229 282 R C 2.093 178.499 176.300 0.176 0.000 1.128 282 R CA 1.209 57.388 56.100 0.132 0.000 0.960 282 R CB -0.093 30.269 30.300 0.104 0.000 0.855 282 R HN 0.091 nan 8.270 nan 0.000 0.432 283 A N 0.095 123.044 122.820 0.215 0.000 1.933 283 A HA -0.187 4.133 4.320 -0.001 0.000 0.218 283 A C 1.912 179.675 177.584 0.298 0.000 1.175 283 A CA 1.087 53.312 52.037 0.314 0.000 0.628 283 A CB -0.654 18.547 19.000 0.335 0.000 0.814 283 A HN 0.468 nan 8.150 nan 0.000 0.444 284 F N 1.770 121.749 119.950 0.049 0.000 2.259 284 F HA -0.130 4.396 4.527 -0.001 0.000 0.298 284 F C 2.711 178.522 175.800 0.017 0.000 1.088 284 F CA 1.500 59.486 58.000 -0.023 0.000 1.358 284 F CB -0.233 38.754 39.000 -0.022 0.000 1.040 284 F HN 0.332 nan 8.300 nan 0.000 0.505 285 S N -0.663 115.079 115.700 0.069 0.000 2.419 285 S HA -0.215 4.254 4.470 -0.001 0.000 0.233 285 S C 1.849 176.419 174.600 -0.051 0.000 1.016 285 S CA 1.001 59.187 58.200 -0.023 0.000 0.974 285 S CB -0.526 62.702 63.200 0.046 0.000 0.786 285 S HN 0.454 nan 8.310 nan 0.000 0.492 286 Q N 0.628 120.460 119.800 0.054 0.000 2.137 286 Q HA 0.121 4.460 4.340 -0.001 0.000 0.198 286 Q C 2.151 178.218 176.000 0.112 0.000 0.960 286 Q CA 1.226 57.102 55.803 0.123 0.000 0.847 286 Q CB -0.454 28.429 28.738 0.243 0.000 0.915 286 Q HN 0.752 nan 8.270 nan 0.000 0.448 287 M N 0.683 120.281 119.600 -0.005 0.000 2.159 287 M HA -0.196 4.283 4.480 -0.001 0.000 0.263 287 M C 1.662 177.788 176.300 -0.290 0.000 1.063 287 M CA 1.581 56.765 55.300 -0.194 0.000 1.110 287 M CB 0.105 32.368 32.600 -0.562 0.000 1.374 287 M HN -0.047 nan 8.290 nan 0.000 0.411 288 K N 0.182 120.319 120.400 -0.437 0.000 2.097 288 K HA -0.038 4.282 4.320 -0.001 0.000 0.205 288 K C 1.972 178.448 176.600 -0.207 0.000 1.050 288 K CA 1.330 57.401 56.287 -0.360 0.000 0.938 288 K CB -0.274 32.005 32.500 -0.367 0.000 0.718 288 K HN 0.464 nan 8.250 nan 0.000 0.442 289 A N 1.246 123.983 122.820 -0.137 0.000 1.933 289 A HA -0.091 4.228 4.320 -0.001 0.000 0.218 289 A C 2.313 179.845 177.584 -0.087 0.000 1.175 289 A CA 1.749 53.732 52.037 -0.091 0.000 0.628 289 A CB -0.624 18.349 19.000 -0.045 0.000 0.814 289 A HN 0.321 nan 8.150 nan 0.000 0.444 290 A N -0.208 122.575 122.820 -0.062 0.000 1.969 290 A HA -0.016 4.303 4.320 -0.001 0.000 0.218 290 A C 2.075 179.579 177.584 -0.132 0.000 1.169 290 A CA 1.390 53.401 52.037 -0.044 0.000 0.635 290 A CB -0.512 18.518 19.000 0.050 0.000 0.810 290 A HN 0.489 nan 8.150 nan 0.000 0.445 291 I N -1.019 119.425 120.570 -0.211 0.000 2.252 291 I HA -0.206 3.963 4.170 -0.001 0.000 0.245 291 I C 2.606 178.437 176.117 -0.476 0.000 1.102 291 I CA 1.532 62.580 61.300 -0.420 0.000 1.385 291 I CB -0.176 37.595 38.000 -0.382 0.000 1.064 291 I HN 0.286 nan 8.210 nan 0.000 0.414 292 R N 1.869 122.192 120.500 -0.294 0.000 2.127 292 R HA -0.110 4.230 4.340 -0.001 0.000 0.238 292 R C 1.818 178.006 176.300 -0.186 0.000 1.134 292 R CA 1.856 57.818 56.100 -0.229 0.000 0.975 292 R CB -0.494 29.709 30.300 -0.162 0.000 0.865 292 R HN 0.344 nan 8.270 nan 0.000 0.447 293 A N -1.030 121.696 122.820 -0.157 0.000 2.275 293 A HA 0.121 4.441 4.320 -0.001 0.000 0.212 293 A C 1.437 178.963 177.584 -0.095 0.000 1.201 293 A CA 0.445 52.421 52.037 -0.102 0.000 0.843 293 A CB -0.573 18.387 19.000 -0.066 0.000 0.873 293 A HN 0.606 nan 8.150 nan 0.000 0.492 294 N N -1.334 117.266 118.700 -0.166 0.000 2.648 294 N HA 0.072 4.812 4.740 -0.001 0.000 0.234 294 N C 1.104 176.579 175.510 -0.059 0.000 1.034 294 N CA 0.689 53.672 53.050 -0.111 0.000 1.205 294 N CB 0.121 38.526 38.487 -0.136 0.000 1.573 294 N HN 0.382 nan 8.380 nan 0.000 0.615 295 Y N -1.048 119.246 120.300 -0.011 0.000 2.557 295 Y HA 0.575 5.124 4.550 -0.001 0.000 0.247 295 Y C 1.114 177.005 175.900 -0.015 0.000 1.164 295 Y CA 0.002 58.097 58.100 -0.008 0.000 1.218 295 Y CB 0.065 38.523 38.460 -0.002 0.000 1.210 295 Y HN 0.197 nan 8.280 nan 0.000 0.529 296 S N 0.936 116.484 115.700 -0.254 0.000 1.480 296 S HA -0.315 4.154 4.470 -0.001 0.000 0.244 296 S C -0.132 174.395 174.600 -0.122 0.000 0.702 296 S CA 1.960 60.061 58.200 -0.166 0.000 1.288 296 S CB -1.803 61.341 63.200 -0.093 0.000 1.411 296 S HN 1.019 nan 8.310 nan 0.000 0.505 297 N N 0.780 119.536 118.700 0.094 0.000 2.859 297 N HA 0.687 5.426 4.740 -0.001 0.000 0.250 297 N C -3.456 172.242 175.510 0.314 0.000 1.341 297 N CA -1.205 51.942 53.050 0.162 0.000 0.881 297 N CB 1.262 39.791 38.487 0.069 0.000 1.516 297 N HN 0.292 nan 8.380 nan 0.000 0.503 298 P HA 0.416 nan 4.420 nan 0.000 0.279 298 P C -2.691 174.608 177.300 -0.002 0.000 1.252 298 P CA -1.468 61.675 63.100 0.073 0.000 0.811 298 P CB -0.114 31.586 31.700 0.000 0.000 1.035 299 P HA 0.101 nan 4.420 nan 0.000 0.270 299 P C 0.514 177.768 177.300 -0.077 0.000 1.242 299 P CA 0.083 63.150 63.100 -0.054 0.000 0.768 299 P CB 0.385 32.040 31.700 -0.074 0.000 0.820 300 A N 3.615 126.410 122.820 -0.042 0.000 1.877 300 A HA -0.247 4.072 4.320 -0.001 0.000 0.216 300 A C 2.071 179.614 177.584 -0.068 0.000 1.186 300 A CA 1.818 53.816 52.037 -0.064 0.000 0.620 300 A CB -1.677 17.305 19.000 -0.030 0.000 0.822 300 A HN 0.634 nan 8.150 nan 0.000 0.443 301 H N -0.488 118.524 119.070 -0.096 0.000 2.306 301 H HA -0.197 4.358 4.556 -0.001 0.000 0.289 301 H C 2.258 177.518 175.328 -0.113 0.000 1.081 301 H CA 2.899 58.895 56.048 -0.087 0.000 1.163 301 H CB -0.742 28.982 29.762 -0.063 0.000 1.357 301 H HN 0.356 nan 8.280 nan 0.000 0.524 302 G N -0.675 108.066 108.800 -0.099 0.000 2.440 302 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.218 302 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.218 302 G C 1.832 176.549 174.900 -0.305 0.000 1.154 302 G CA 1.213 46.199 45.100 -0.189 0.000 0.767 302 G HN 0.671 nan 8.290 nan 0.000 0.552 303 A N 0.166 122.783 122.820 -0.338 0.000 2.014 303 A HA 0.152 4.472 4.320 -0.001 0.000 0.218 303 A C 2.634 180.041 177.584 -0.294 0.000 1.163 303 A CA 1.957 53.718 52.037 -0.460 0.000 0.652 303 A CB -0.419 18.075 19.000 -0.842 0.000 0.808 303 A HN 0.304 nan 8.150 nan 0.000 0.449 304 S N -0.554 114.986 115.700 -0.266 0.000 2.356 304 S HA -0.121 4.349 4.470 -0.001 0.000 0.223 304 S C 1.958 176.425 174.600 -0.223 0.000 1.032 304 S CA 1.399 59.481 58.200 -0.197 0.000 1.005 304 S CB -0.371 62.719 63.200 -0.184 0.000 0.867 304 S HN 0.352 nan 8.310 nan 0.000 0.449 305 V N 1.436 121.164 119.914 -0.310 0.000 2.233 305 V HA -0.185 3.935 4.120 -0.001 0.000 0.247 305 V C 2.334 178.231 176.094 -0.328 0.000 1.050 305 V CA 1.848 63.974 62.300 -0.290 0.000 1.010 305 V CB -0.802 30.840 31.823 -0.303 0.000 0.637 305 V HN 0.343 nan 8.190 nan 0.000 0.444 306 V N 0.207 119.817 119.914 -0.507 0.000 2.332 306 V HA -0.304 3.816 4.120 -0.001 0.000 0.248 306 V C 2.657 178.444 176.094 -0.511 0.000 1.055 306 V CA 2.215 64.019 62.300 -0.827 0.000 1.038 306 V CB -1.187 29.894 31.823 -1.237 0.000 0.651 306 V HN 0.590 nan 8.190 nan 0.000 0.450 307 A N -0.681 121.966 122.820 -0.289 0.000 1.969 307 A HA -0.189 4.130 4.320 -0.001 0.000 0.218 307 A C 2.381 179.853 177.584 -0.187 0.000 1.169 307 A CA 2.265 54.187 52.037 -0.191 0.000 0.635 307 A CB -0.829 18.137 19.000 -0.056 0.000 0.810 307 A HN 0.507 nan 8.150 nan 0.000 0.445 308 T N 0.368 114.807 114.554 -0.192 0.000 2.708 308 T HA -0.092 4.257 4.350 -0.001 0.000 0.266 308 T C 1.798 176.379 174.700 -0.198 0.000 1.037 308 T CA 1.571 63.547 62.100 -0.206 0.000 1.146 308 T CB -0.377 68.367 68.868 -0.206 0.000 0.865 308 T HN 0.429 nan 8.240 nan 0.000 0.435 309 I N 0.641 121.103 120.570 -0.180 0.000 2.252 309 I HA -0.104 4.065 4.170 -0.001 0.000 0.245 309 I C 2.127 178.172 176.117 -0.119 0.000 1.102 309 I CA 1.212 62.440 61.300 -0.122 0.000 1.385 309 I CB -0.316 37.644 38.000 -0.066 0.000 1.064 309 I HN 0.185 nan 8.210 nan 0.000 0.414 310 L N 0.171 121.284 121.223 -0.184 0.000 2.291 310 L HA -0.104 4.235 4.340 -0.001 0.000 0.214 310 L C 2.340 179.149 176.870 -0.102 0.000 1.120 310 L CA 1.124 55.875 54.840 -0.148 0.000 0.799 310 L CB -0.420 41.508 42.059 -0.219 0.000 0.925 310 L HN 0.330 nan 8.230 nan 0.000 0.446 311 S N -2.021 113.608 115.700 -0.118 0.000 2.556 311 S HA 0.028 4.498 4.470 -0.001 0.000 0.216 311 S C 0.677 175.225 174.600 -0.087 0.000 0.970 311 S CA -0.480 57.664 58.200 -0.094 0.000 0.912 311 S CB -0.206 62.937 63.200 -0.095 0.000 0.790 311 S HN 0.357 nan 8.310 nan 0.000 0.504 312 N N 1.309 119.954 118.700 -0.092 0.000 2.479 312 N HA 0.209 4.949 4.740 -0.001 0.000 0.261 312 N C -0.804 174.678 175.510 -0.046 0.000 0.979 312 N CA -0.093 52.906 53.050 -0.086 0.000 0.930 312 N CB 1.778 40.187 38.487 -0.131 0.000 1.172 312 N HN -0.015 nan 8.380 nan 0.000 0.499 313 D N 2.682 123.062 120.400 -0.033 0.000 2.149 313 D HA -0.190 4.449 4.640 -0.001 0.000 0.194 313 D C 1.714 178.008 176.300 -0.009 0.000 1.001 313 D CA 2.018 56.008 54.000 -0.015 0.000 0.849 313 D CB 0.227 41.018 40.800 -0.015 0.000 0.939 313 D HN 0.667 nan 8.370 nan 0.000 0.449 314 A N 0.279 123.088 122.820 -0.018 0.000 1.872 314 A HA -0.048 4.272 4.320 -0.001 0.000 0.214 314 A C 2.175 179.756 177.584 -0.004 0.000 1.187 314 A CA 0.740 52.769 52.037 -0.013 0.000 0.614 314 A CB -0.739 18.249 19.000 -0.019 0.000 0.826 314 A HN 0.181 nan 8.150 nan 0.000 0.442 315 L N -0.918 120.297 121.223 -0.013 0.000 2.131 315 L HA -0.168 4.172 4.340 -0.001 0.000 0.210 315 L C 2.800 179.705 176.870 0.058 0.000 1.092 315 L CA 1.662 56.504 54.840 0.004 0.000 0.759 315 L CB -0.388 41.650 42.059 -0.036 0.000 0.903 315 L HN 0.525 nan 8.230 nan 0.000 0.435 316 R N 0.393 120.928 120.500 0.059 0.000 2.075 316 R HA -0.154 4.185 4.340 -0.001 0.000 0.232 316 R C 2.346 178.728 176.300 0.136 0.000 1.126 316 R CA 1.428 57.617 56.100 0.148 0.000 0.963 316 R CB -0.258 30.110 30.300 0.113 0.000 0.858 316 R HN 0.278 nan 8.270 nan 0.000 0.435 317 A N 1.116 123.964 122.820 0.047 0.000 1.908 317 A HA -0.152 4.168 4.320 -0.001 0.000 0.218 317 A C 2.184 179.751 177.584 -0.028 0.000 1.181 317 A CA 1.616 53.650 52.037 -0.005 0.000 0.627 317 A CB -0.569 18.422 19.000 -0.016 0.000 0.818 317 A HN 0.411 nan 8.150 nan 0.000 0.445 318 I N -2.382 118.189 120.570 0.002 0.000 2.226 318 I HA -0.266 3.903 4.170 -0.001 0.000 0.245 318 I C 2.406 178.506 176.117 -0.029 0.000 1.100 318 I CA 1.650 62.943 61.300 -0.013 0.000 1.374 318 I CB -0.344 37.664 38.000 0.012 0.000 1.057 318 I HN 0.756 nan 8.210 nan 0.000 0.413 319 W N 2.429 123.641 121.300 -0.148 0.000 2.354 319 W HA -0.211 4.449 4.660 -0.001 0.000 0.315 319 W C 2.356 178.715 176.519 -0.267 0.000 1.206 319 W CA 1.579 58.782 57.345 -0.236 0.000 1.290 319 W CB -0.368 28.910 29.460 -0.304 0.000 1.152 319 W HN 0.048 nan 8.180 nan 0.000 0.489 320 E N -0.151 119.693 120.200 -0.593 0.000 2.219 320 E HA -0.329 4.020 4.350 -0.001 0.000 0.198 320 E C 1.924 178.173 176.600 -0.585 0.000 0.998 320 E CA 1.622 57.526 56.400 -0.827 0.000 0.818 320 E CB -0.358 29.070 29.700 -0.454 0.000 0.741 320 E HN 0.359 nan 8.360 nan 0.000 0.477 321 Q N 1.255 120.830 119.800 -0.375 0.000 2.137 321 Q HA -0.120 4.219 4.340 -0.001 0.000 0.198 321 Q C 1.601 177.424 176.000 -0.295 0.000 0.960 321 Q CA 1.346 56.984 55.803 -0.275 0.000 0.847 321 Q CB 0.139 28.777 28.738 -0.166 0.000 0.915 321 Q HN 0.284 nan 8.270 nan 0.000 0.448 322 E N -0.159 119.854 120.200 -0.312 0.000 2.110 322 E HA -0.185 4.165 4.350 -0.001 0.000 0.193 322 E C 1.847 178.208 176.600 -0.398 0.000 0.988 322 E CA 1.098 57.332 56.400 -0.277 0.000 0.804 322 E CB -0.185 29.401 29.700 -0.190 0.000 0.745 322 E HN 0.290 nan 8.360 nan 0.000 0.458 323 L N 0.984 121.836 121.223 -0.618 0.000 2.044 323 L HA -0.106 4.233 4.340 -0.001 0.000 0.205 323 L C 2.239 178.761 176.870 -0.580 0.000 1.075 323 L CA 1.828 56.238 54.840 -0.717 0.000 0.747 323 L CB -0.619 40.821 42.059 -1.032 0.000 0.903 323 L HN -0.029 nan 8.230 nan 0.000 0.435 324 T N -0.129 114.135 114.554 -0.483 0.000 2.737 324 T HA -0.182 4.168 4.350 -0.001 0.000 0.269 324 T C 1.425 175.979 174.700 -0.242 0.000 1.040 324 T CA 1.665 63.565 62.100 -0.333 0.000 1.142 324 T CB -0.403 68.303 68.868 -0.270 0.000 0.861 324 T HN 0.435 nan 8.240 nan 0.000 0.456 325 D N 0.940 121.205 120.400 -0.226 0.000 2.117 325 D HA 0.002 4.641 4.640 -0.001 0.000 0.198 325 D C 2.152 178.387 176.300 -0.109 0.000 0.982 325 D CA 0.915 54.835 54.000 -0.133 0.000 0.828 325 D CB -0.332 40.408 40.800 -0.100 0.000 0.967 325 D HN 0.397 nan 8.370 nan 0.000 0.464 326 M N 0.252 119.702 119.600 -0.250 0.000 2.065 326 M HA -0.155 4.325 4.480 -0.001 0.000 0.259 326 M C 2.408 178.682 176.300 -0.042 0.000 1.069 326 M CA 1.266 56.365 55.300 -0.334 0.000 1.110 326 M CB -0.335 31.830 32.600 -0.725 0.000 1.328 326 M HN -0.057 nan 8.290 nan 0.000 0.405 327 R N 0.811 121.212 120.500 -0.165 0.000 2.083 327 R HA -0.188 4.151 4.340 -0.001 0.000 0.237 327 R C 2.031 178.338 176.300 0.012 0.000 1.137 327 R CA 1.888 57.953 56.100 -0.058 0.000 0.951 327 R CB -0.188 29.991 30.300 -0.201 0.000 0.851 327 R HN 0.522 nan 8.270 nan 0.000 0.434 328 Q N -0.163 119.623 119.800 -0.025 0.000 2.172 328 Q HA -0.173 4.167 4.340 -0.001 0.000 0.200 328 Q C 2.122 178.145 176.000 0.037 0.000 0.964 328 Q CA 1.513 57.317 55.803 0.001 0.000 0.855 328 Q CB -0.145 28.579 28.738 -0.022 0.000 0.918 328 Q HN 0.388 nan 8.270 nan 0.000 0.444 329 R N 1.051 121.592 120.500 0.069 0.000 2.153 329 R HA -0.021 4.319 4.340 -0.001 0.000 0.218 329 R C 1.820 178.179 176.300 0.098 0.000 1.072 329 R CA 0.838 56.992 56.100 0.089 0.000 0.990 329 R CB -0.194 30.179 30.300 0.121 0.000 0.889 329 R HN 0.166 nan 8.270 nan 0.000 0.452 330 I N 1.131 121.785 120.570 0.141 0.000 2.252 330 I HA -0.237 3.933 4.170 -0.001 0.000 0.245 330 I C 2.189 178.346 176.117 0.067 0.000 1.102 330 I CA 1.329 62.697 61.300 0.113 0.000 1.385 330 I CB -0.300 37.799 38.000 0.164 0.000 1.064 330 I HN 0.343 nan 8.210 nan 0.000 0.414 331 Q N 0.424 120.265 119.800 0.069 0.000 2.170 331 Q HA -0.216 4.123 4.340 -0.001 0.000 0.203 331 Q C 2.304 178.331 176.000 0.045 0.000 0.976 331 Q CA 1.304 57.139 55.803 0.054 0.000 0.858 331 Q CB -0.237 28.527 28.738 0.045 0.000 0.907 331 Q HN 0.494 nan 8.270 nan 0.000 0.433 332 R N -0.136 120.388 120.500 0.040 0.000 2.092 332 R HA -0.015 4.324 4.340 -0.001 0.000 0.231 332 R C 2.256 178.576 176.300 0.034 0.000 1.119 332 R CA 1.032 57.152 56.100 0.032 0.000 0.970 332 R CB -0.011 30.305 30.300 0.027 0.000 0.864 332 R HN 0.233 nan 8.270 nan 0.000 0.440 333 M N -0.013 119.605 119.600 0.030 0.000 2.229 333 M HA -0.116 4.363 4.480 -0.001 0.000 0.264 333 M C 1.980 178.314 176.300 0.057 0.000 1.063 333 M CA 1.501 56.814 55.300 0.021 0.000 1.114 333 M CB -0.654 31.934 32.600 -0.020 0.000 1.387 333 M HN 0.104 nan 8.290 nan 0.000 0.420 334 R N -0.230 120.307 120.500 0.062 0.000 2.070 334 R HA -0.141 4.198 4.340 -0.001 0.000 0.233 334 R C 2.349 178.709 176.300 0.099 0.000 1.137 334 R CA 1.208 57.367 56.100 0.099 0.000 0.945 334 R CB -0.189 30.157 30.300 0.077 0.000 0.845 334 R HN 0.434 nan 8.270 nan 0.000 0.430 335 Q N 0.443 120.279 119.800 0.060 0.000 2.084 335 Q HA -0.175 4.164 4.340 -0.001 0.000 0.202 335 Q C 2.215 178.238 176.000 0.038 0.000 0.978 335 Q CA 1.147 56.972 55.803 0.038 0.000 0.844 335 Q CB -0.253 28.501 28.738 0.027 0.000 0.898 335 Q HN 0.206 nan 8.270 nan 0.000 0.426 336 L N 0.299 121.554 121.223 0.053 0.000 2.083 336 L HA -0.157 4.183 4.340 -0.001 0.000 0.209 336 L C 2.122 179.042 176.870 0.083 0.000 1.083 336 L CA 1.406 56.277 54.840 0.051 0.000 0.752 336 L CB -0.631 41.456 42.059 0.045 0.000 0.899 336 L HN 0.102 nan 8.230 nan 0.000 0.433 337 F N -0.715 119.197 119.950 -0.062 0.000 2.075 337 F HA -0.181 4.346 4.527 -0.001 0.000 0.297 337 F C 2.280 178.011 175.800 -0.116 0.000 1.113 337 F CA 1.931 59.874 58.000 -0.096 0.000 1.218 337 F CB -0.885 38.054 39.000 -0.103 0.000 0.984 337 F HN -0.108 nan 8.300 nan 0.000 0.472 338 V N 0.984 120.794 119.914 -0.174 0.000 2.324 338 V HA -0.382 3.737 4.120 -0.001 0.000 0.250 338 V C 2.058 178.044 176.094 -0.179 0.000 1.060 338 V CA 2.518 64.661 62.300 -0.262 0.000 1.042 338 V CB -0.991 30.755 31.823 -0.129 0.000 0.650 338 V HN 0.426 nan 8.190 nan 0.000 0.450 339 N N -0.675 117.968 118.700 -0.095 0.000 2.135 339 N HA -0.136 4.604 4.740 -0.001 0.000 0.186 339 N C 1.814 177.281 175.510 -0.072 0.000 1.027 339 N CA 1.646 54.659 53.050 -0.062 0.000 0.849 339 N CB -0.239 38.232 38.487 -0.027 0.000 1.002 339 N HN 0.429 nan 8.380 nan 0.000 0.425 340 T N 1.557 116.068 114.554 -0.070 0.000 2.746 340 T HA -0.076 4.274 4.350 -0.001 0.000 0.267 340 T C 1.967 176.598 174.700 -0.115 0.000 1.039 340 T CA 0.745 62.807 62.100 -0.063 0.000 1.142 340 T CB -0.283 68.573 68.868 -0.019 0.000 0.866 340 T HN 0.145 nan 8.240 nan 0.000 0.444 341 L N 0.455 121.542 121.223 -0.227 0.000 2.046 341 L HA -0.176 4.163 4.340 -0.001 0.000 0.208 341 L C 2.927 179.708 176.870 -0.149 0.000 1.077 341 L CA 1.404 56.063 54.840 -0.302 0.000 0.747 341 L CB -0.476 41.196 42.059 -0.646 0.000 0.896 341 L HN 0.266 nan 8.230 nan 0.000 0.432 342 Q N 0.296 120.026 119.800 -0.117 0.000 2.014 342 Q HA -0.247 4.092 4.340 -0.001 0.000 0.207 342 Q C 1.250 177.229 176.000 -0.035 0.000 0.993 342 Q CA 1.733 57.505 55.803 -0.051 0.000 0.850 342 Q CB 0.106 28.819 28.738 -0.042 0.000 0.916 342 Q HN 0.172 nan 8.270 nan 0.000 0.417 343 E N -0.795 119.382 120.200 -0.039 0.000 2.349 343 E HA 0.124 4.473 4.350 -0.001 0.000 0.201 343 E C -0.187 176.398 176.600 -0.025 0.000 1.087 343 E CA 0.057 56.443 56.400 -0.024 0.000 1.128 343 E CB 0.333 30.024 29.700 -0.015 0.000 1.188 343 E HN 0.109 nan 8.360 nan 0.000 0.445 344 K N -1.289 119.090 120.400 -0.036 0.000 2.402 344 K HA 0.233 4.552 4.320 -0.001 0.000 0.204 344 K C 0.583 177.167 176.600 -0.026 0.000 1.056 344 K CA 0.464 56.730 56.287 -0.036 0.000 1.069 344 K CB 0.965 33.433 32.500 -0.053 0.000 0.888 344 K HN 0.202 nan 8.250 nan 0.000 0.546 345 G N 0.586 109.376 108.800 -0.016 0.000 2.138 345 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.193 345 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.193 345 G C 0.051 174.961 174.900 0.017 0.000 0.998 345 G CA -0.189 44.911 45.100 0.001 0.000 0.668 345 G HN 0.369 nan 8.290 nan 0.000 0.516 346 A N 0.273 123.108 122.820 0.025 0.000 2.561 346 A HA 0.455 4.774 4.320 -0.001 0.000 0.251 346 A C 1.346 178.987 177.584 0.095 0.000 1.062 346 A CA 1.228 53.322 52.037 0.095 0.000 0.761 346 A CB -0.174 18.931 19.000 0.174 0.000 0.986 346 A HN 1.000 nan 8.150 nan 0.000 0.510 347 N N 3.232 121.989 118.700 0.096 0.000 2.028 347 N HA -0.149 4.590 4.740 -0.001 0.000 0.194 347 N C 0.765 176.292 175.510 0.030 0.000 1.050 347 N CA 1.243 54.324 53.050 0.053 0.000 0.848 347 N CB -0.410 38.103 38.487 0.043 0.000 1.038 347 N HN 0.797 nan 8.380 nan 0.000 0.423 348 R N 0.467 120.972 120.500 0.007 0.000 2.822 348 R HA 0.118 4.457 4.340 -0.001 0.000 0.277 348 R C -0.833 175.372 176.300 -0.158 0.000 1.102 348 R CA -0.176 55.834 56.100 -0.151 0.000 1.207 348 R CB -0.061 30.003 30.300 -0.393 0.000 1.139 348 R HN 0.213 nan 8.270 nan 0.000 0.557 349 D N -0.134 120.136 120.400 -0.217 0.000 2.472 349 D HA 0.171 4.811 4.640 -0.001 0.000 0.234 349 D C -0.670 175.532 176.300 -0.162 0.000 1.088 349 D CA -0.498 53.442 54.000 -0.100 0.000 0.882 349 D CB 0.172 40.967 40.800 -0.008 0.000 1.037 349 D HN 0.403 nan 8.370 nan 0.000 0.520 350 F N 1.698 121.571 119.950 -0.128 0.000 2.731 350 F HA 0.051 4.577 4.527 -0.001 0.000 0.304 350 F C 2.457 177.875 175.800 -0.637 0.000 1.133 350 F CA -0.069 57.648 58.000 -0.473 0.000 1.380 350 F CB -0.020 38.691 39.000 -0.482 0.000 1.079 350 F HN 0.389 nan 8.300 nan 0.000 0.550 351 S N 0.528 116.126 115.700 -0.170 0.000 2.469 351 S HA -0.237 4.232 4.470 -0.001 0.000 0.238 351 S C 2.011 176.547 174.600 -0.107 0.000 0.998 351 S CA 1.013 59.144 58.200 -0.116 0.000 0.957 351 S CB -1.075 62.120 63.200 -0.009 0.000 0.764 351 S HN 0.495 nan 8.310 nan 0.000 0.514 352 F N 0.650 120.598 119.950 -0.002 0.000 2.333 352 F HA 0.205 4.731 4.527 -0.001 0.000 0.300 352 F C 1.757 177.596 175.800 0.066 0.000 1.083 352 F CA 0.162 58.171 58.000 0.014 0.000 1.395 352 F CB -0.820 38.126 39.000 -0.091 0.000 1.056 352 F HN 0.173 nan 8.300 nan 0.000 0.529 353 I N 0.845 121.099 120.570 -0.527 0.000 2.335 353 I HA -0.286 3.884 4.170 -0.001 0.000 0.251 353 I C 2.366 178.491 176.117 0.013 0.000 1.129 353 I CA 1.393 62.572 61.300 -0.203 0.000 1.402 353 I CB -0.424 37.422 38.000 -0.258 0.000 1.069 353 I HN 0.170 nan 8.210 nan 0.000 0.424 354 I N 1.005 121.571 120.570 -0.006 0.000 2.700 354 I HA -0.270 3.899 4.170 -0.001 0.000 0.261 354 I C 2.389 178.555 176.117 0.082 0.000 1.219 354 I CA 1.150 62.476 61.300 0.043 0.000 1.463 354 I CB -0.226 37.790 38.000 0.026 0.000 1.092 354 I HN 0.282 nan 8.210 nan 0.000 0.452 355 K N 0.972 121.443 120.400 0.118 0.000 2.404 355 K HA 0.061 4.381 4.320 -0.001 0.000 0.194 355 K C 0.210 176.906 176.600 0.160 0.000 1.023 355 K CA 0.014 56.384 56.287 0.138 0.000 1.094 355 K CB 0.175 32.761 32.500 0.143 0.000 0.841 355 K HN 0.335 nan 8.250 nan 0.000 0.523 356 Q N 1.234 121.139 119.800 0.175 0.000 2.260 356 Q HA 0.244 4.584 4.340 -0.001 0.000 0.242 356 Q C -0.971 175.114 176.000 0.142 0.000 0.932 356 Q CA -0.391 55.522 55.803 0.182 0.000 0.891 356 Q CB 1.240 30.110 28.738 0.220 0.000 1.222 356 Q HN 0.207 nan 8.270 nan 0.000 0.453 357 N N -0.248 118.536 118.700 0.141 0.000 2.417 357 N HA 0.652 5.391 4.740 -0.001 0.000 0.300 357 N C -0.336 175.217 175.510 0.071 0.000 1.102 357 N CA -0.018 53.105 53.050 0.121 0.000 0.886 357 N CB 1.649 40.228 38.487 0.154 0.000 1.203 357 N HN 0.767 nan 8.380 nan 0.000 0.496 358 G N 0.434 109.262 108.800 0.047 0.000 2.472 358 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.205 358 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.205 358 G C 0.355 175.144 174.900 -0.185 0.000 1.270 358 G CA -0.498 44.549 45.100 -0.088 0.000 0.974 358 G HN 0.451 nan 8.290 nan 0.000 0.542 359 M N -0.271 119.013 119.600 -0.526 0.000 2.506 359 M HA 0.302 4.781 4.480 -0.001 0.000 0.260 359 M C 0.191 176.078 176.300 -0.688 0.000 1.104 359 M CA 1.202 56.094 55.300 -0.679 0.000 1.112 359 M CB -0.098 31.856 32.600 -1.076 0.000 1.401 359 M HN 0.259 nan 8.290 nan 0.000 0.473 360 F N -0.454 119.437 119.950 -0.098 0.000 2.611 360 F HA 0.515 5.042 4.527 -0.001 0.000 0.324 360 F C 0.228 176.043 175.800 0.025 0.000 1.061 360 F CA -1.432 56.543 58.000 -0.042 0.000 0.954 360 F CB 1.310 40.282 39.000 -0.047 0.000 1.301 360 F HN -0.195 nan 8.300 nan 0.000 0.482 361 S N 0.336 116.229 115.700 0.321 0.000 2.538 361 S HA 0.623 5.092 4.470 -0.001 0.000 0.288 361 S C -1.470 173.384 174.600 0.422 0.000 1.108 361 S CA -0.586 57.806 58.200 0.320 0.000 0.971 361 S CB 1.414 64.782 63.200 0.280 0.000 1.041 361 S HN 0.401 nan 8.310 nan 0.000 0.483 362 F N 3.884 123.974 119.950 0.233 0.000 2.405 362 F HA 0.339 4.866 4.527 -0.001 0.000 0.358 362 F C 1.782 177.812 175.800 0.383 0.000 1.151 362 F CA -1.448 56.673 58.000 0.202 0.000 1.161 362 F CB 0.468 39.497 39.000 0.049 0.000 1.245 362 F HN 0.870 nan 8.300 nan 0.000 0.545 363 S N 2.519 118.468 115.700 0.416 0.000 2.382 363 S HA 0.023 4.492 4.470 -0.001 0.000 0.228 363 S C 1.738 176.649 174.600 0.517 0.000 1.027 363 S CA 0.806 59.302 58.200 0.493 0.000 0.991 363 S CB -0.656 62.768 63.200 0.373 0.000 0.823 363 S HN 1.301 nan 8.310 nan 0.000 0.469 364 G N 0.223 109.143 108.800 0.202 0.000 2.134 364 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.209 364 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.209 364 G C -0.267 174.690 174.900 0.095 0.000 0.993 364 G CA -0.050 45.120 45.100 0.117 0.000 0.669 364 G HN 0.424 nan 8.290 nan 0.000 0.519 365 L N 1.722 123.005 121.223 0.099 0.000 2.397 365 L HA 0.571 4.910 4.340 -0.001 0.000 0.271 365 L C 1.406 178.285 176.870 0.015 0.000 1.148 365 L CA 0.270 55.165 54.840 0.091 0.000 0.825 365 L CB 0.840 42.964 42.059 0.108 0.000 1.117 365 L HN 0.163 nan 8.230 nan 0.000 0.456 366 T N 3.379 117.949 114.554 0.027 0.000 2.802 366 T HA 0.064 4.413 4.350 -0.001 0.000 0.305 366 T C 1.373 176.078 174.700 0.008 0.000 1.053 366 T CA -0.417 61.689 62.100 0.009 0.000 1.058 366 T CB 0.536 69.418 68.868 0.024 0.000 0.988 366 T HN 0.673 nan 8.240 nan 0.000 0.539 367 K N 1.602 122.005 120.400 0.004 0.000 2.148 367 K HA -0.108 4.211 4.320 -0.001 0.000 0.204 367 K C 1.363 177.971 176.600 0.014 0.000 1.050 367 K CA 1.487 57.779 56.287 0.008 0.000 0.942 367 K CB -0.158 32.346 32.500 0.007 0.000 0.724 367 K HN 0.485 nan 8.250 nan 0.000 0.446 368 E N 1.481 121.692 120.200 0.017 0.000 2.152 368 E HA -0.080 4.270 4.350 -0.001 0.000 0.192 368 E C 2.208 178.828 176.600 0.034 0.000 0.983 368 E CA 1.053 57.466 56.400 0.021 0.000 0.818 368 E CB -0.067 29.645 29.700 0.020 0.000 0.758 368 E HN 0.434 nan 8.360 nan 0.000 0.467 369 Q N -0.072 119.753 119.800 0.042 0.000 2.079 369 Q HA -0.098 4.241 4.340 -0.001 0.000 0.200 369 Q C 2.138 178.171 176.000 0.056 0.000 0.974 369 Q CA 1.266 57.105 55.803 0.060 0.000 0.840 369 Q CB 0.059 28.837 28.738 0.067 0.000 0.898 369 Q HN 0.160 nan 8.270 nan 0.000 0.430 370 V N 0.910 120.847 119.914 0.038 0.000 2.427 370 V HA -0.228 3.891 4.120 -0.001 0.000 0.248 370 V C 2.130 178.225 176.094 0.001 0.000 1.051 370 V CA 1.064 63.378 62.300 0.023 0.000 1.048 370 V CB -0.454 31.379 31.823 0.018 0.000 0.666 370 V HN 0.420 nan 8.190 nan 0.000 0.456 371 L N 0.267 121.492 121.223 0.003 0.000 2.017 371 L HA -0.175 4.165 4.340 -0.001 0.000 0.208 371 L C 2.613 179.476 176.870 -0.012 0.000 1.073 371 L CA 2.133 56.964 54.840 -0.014 0.000 0.745 371 L CB -1.007 41.051 42.059 -0.003 0.000 0.894 371 L HN 0.318 nan 8.230 nan 0.000 0.432 372 R N -0.534 119.982 120.500 0.028 0.000 2.073 372 R HA -0.173 4.167 4.340 -0.001 0.000 0.234 372 R C 2.477 178.852 176.300 0.125 0.000 1.134 372 R CA 1.298 57.433 56.100 0.058 0.000 0.952 372 R CB -0.244 30.114 30.300 0.096 0.000 0.850 372 R HN 0.338 nan 8.270 nan 0.000 0.433 373 L N 0.538 121.861 121.223 0.167 0.000 2.043 373 L HA -0.246 4.094 4.340 -0.001 0.000 0.212 373 L C 2.981 179.923 176.870 0.120 0.000 1.075 373 L CA 1.548 56.532 54.840 0.241 0.000 0.752 373 L CB -0.445 41.671 42.059 0.095 0.000 0.891 373 L HN 0.289 nan 8.230 nan 0.000 0.432 374 R N 0.047 120.515 120.500 -0.053 0.000 2.062 374 R HA -0.184 4.156 4.340 -0.001 0.000 0.231 374 R C 2.136 178.341 176.300 -0.158 0.000 1.136 374 R CA 1.665 57.606 56.100 -0.266 0.000 0.948 374 R CB -0.048 30.012 30.300 -0.399 0.000 0.845 374 R HN 0.223 nan 8.270 nan 0.000 0.430 375 E N 0.568 120.712 120.200 -0.093 0.000 2.015 375 E HA -0.135 4.215 4.350 -0.001 0.000 0.191 375 E C 1.930 178.473 176.600 -0.095 0.000 0.991 375 E CA 1.498 57.853 56.400 -0.075 0.000 0.802 375 E CB -0.001 29.663 29.700 -0.060 0.000 0.759 375 E HN 0.326 nan 8.360 nan 0.000 0.447 376 E N -1.299 118.815 120.200 -0.143 0.000 2.112 376 E HA -0.065 4.285 4.350 -0.001 0.000 0.190 376 E C 1.253 177.604 176.600 -0.414 0.000 0.979 376 E CA 0.667 56.846 56.400 -0.368 0.000 0.814 376 E CB 0.098 29.404 29.700 -0.657 0.000 0.762 376 E HN 0.263 nan 8.360 nan 0.000 0.460 377 F N -1.114 118.830 119.950 -0.009 0.000 2.704 377 F HA 0.290 4.817 4.527 -0.001 0.000 0.304 377 F C 1.512 177.332 175.800 0.033 0.000 1.094 377 F CA 0.470 58.476 58.000 0.010 0.000 1.275 377 F CB 0.980 39.989 39.000 0.015 0.000 1.073 377 F HN 0.051 nan 8.300 nan 0.000 0.586 378 G N 0.820 109.717 108.800 0.161 0.000 2.162 378 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.260 378 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.260 378 G C -0.011 175.093 174.900 0.339 0.000 0.976 378 G CA 0.228 45.462 45.100 0.224 0.000 0.655 378 G HN 0.167 nan 8.290 nan 0.000 0.533 379 V N 1.042 121.086 119.914 0.218 0.000 2.383 379 V HA 0.498 4.618 4.120 -0.001 0.000 0.275 379 V C -0.117 176.053 176.094 0.126 0.000 1.036 379 V CA -0.816 61.621 62.300 0.228 0.000 0.889 379 V CB 0.786 32.685 31.823 0.127 0.000 0.985 379 V HN 0.215 nan 8.190 nan 0.000 0.459 380 Y N 3.785 124.184 120.300 0.165 0.000 2.404 380 Y HA 0.693 5.243 4.550 -0.001 0.000 0.344 380 Y C 0.516 176.447 175.900 0.053 0.000 0.970 380 Y CA -0.274 57.906 58.100 0.133 0.000 1.180 380 Y CB 1.268 39.846 38.460 0.196 0.000 1.138 380 Y HN 0.747 nan 8.280 nan 0.000 0.510 381 A N 2.273 125.159 122.820 0.111 0.000 2.437 381 A HA 0.841 5.160 4.320 -0.001 0.000 0.292 381 A C -1.108 176.522 177.584 0.076 0.000 1.173 381 A CA -0.829 51.260 52.037 0.086 0.000 0.785 381 A CB 0.861 19.899 19.000 0.064 0.000 1.351 381 A HN 0.375 nan 8.150 nan 0.000 0.431 382 V N 1.156 121.110 119.914 0.066 0.000 2.649 382 V HA 0.365 4.485 4.120 -0.001 0.000 0.292 382 V C 1.782 177.908 176.094 0.054 0.000 1.055 382 V CA 0.571 62.905 62.300 0.056 0.000 1.023 382 V CB 1.073 32.917 31.823 0.035 0.000 0.992 382 V HN 1.266 nan 8.190 nan 0.000 0.480 383 A N 3.535 126.381 122.820 0.044 0.000 1.997 383 A HA -0.182 4.137 4.320 -0.001 0.000 0.221 383 A C 2.253 179.857 177.584 0.034 0.000 1.172 383 A CA 2.317 54.374 52.037 0.033 0.000 0.645 383 A CB -0.649 18.366 19.000 0.027 0.000 0.813 383 A HN 1.147 nan 8.150 nan 0.000 0.454 384 S N -1.882 113.858 115.700 0.067 0.000 2.603 384 S HA 0.323 4.792 4.470 -0.001 0.000 0.229 384 S C 1.439 176.024 174.600 -0.026 0.000 0.972 384 S CA 1.145 59.395 58.200 0.083 0.000 0.935 384 S CB -0.503 62.857 63.200 0.266 0.000 0.769 384 S HN 2.035 nan 8.310 nan 0.000 0.536 385 G N 1.111 109.923 108.800 0.019 0.000 2.157 385 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.239 385 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.239 385 G C 0.037 175.017 174.900 0.134 0.000 0.982 385 G CA 0.001 45.102 45.100 0.002 0.000 0.650 385 G HN 0.701 nan 8.290 nan 0.000 0.527 386 R N 0.553 121.184 120.500 0.219 0.000 2.316 386 R HA 0.492 4.831 4.340 -0.001 0.000 0.314 386 R C 0.560 176.948 176.300 0.146 0.000 1.069 386 R CA 0.287 56.533 56.100 0.244 0.000 0.959 386 R CB 0.635 30.976 30.300 0.068 0.000 0.987 386 R HN 0.593 nan 8.270 nan 0.000 0.446 387 V N 1.725 121.752 119.914 0.188 0.000 2.581 387 V HA 0.358 4.477 4.120 -0.001 0.000 0.303 387 V C -0.166 176.051 176.094 0.205 0.000 1.041 387 V CA -1.005 61.366 62.300 0.118 0.000 0.907 387 V CB 1.746 33.566 31.823 -0.005 0.000 0.994 387 V HN 0.849 nan 8.190 nan 0.000 0.442 388 N N 2.716 121.503 118.700 0.146 0.000 2.602 388 N HA 0.234 4.974 4.740 -0.001 0.000 0.238 388 N C 0.797 176.251 175.510 -0.094 0.000 1.084 388 N CA -0.409 52.711 53.050 0.117 0.000 0.952 388 N CB 1.511 40.058 38.487 0.100 0.000 1.244 388 N HN 0.647 nan 8.380 nan 0.000 0.512 389 V N 3.319 123.159 119.914 -0.124 0.000 2.469 389 V HA -0.234 3.885 4.120 -0.001 0.000 0.251 389 V C 2.224 178.220 176.094 -0.164 0.000 1.064 389 V CA 2.133 64.326 62.300 -0.179 0.000 1.066 389 V CB -0.627 31.129 31.823 -0.112 0.000 0.667 389 V HN 0.789 nan 8.190 nan 0.000 0.461 390 A N 0.047 122.768 122.820 -0.164 0.000 2.239 390 A HA 0.173 4.493 4.320 -0.001 0.000 0.209 390 A C 2.026 179.457 177.584 -0.255 0.000 1.171 390 A CA 1.133 53.067 52.037 -0.171 0.000 0.768 390 A CB -0.559 18.398 19.000 -0.072 0.000 0.790 390 A HN 0.554 nan 8.150 nan 0.000 0.478 391 G N -1.431 107.246 108.800 -0.206 0.000 3.159 391 G HA2 0.371 4.331 3.960 -0.001 0.000 0.232 391 G HA3 0.371 4.331 3.960 -0.001 0.000 0.232 391 G C 0.443 175.237 174.900 -0.178 0.000 1.116 391 G CA -0.342 44.638 45.100 -0.199 0.000 0.767 391 G HN 0.417 nan 8.290 nan 0.000 0.547 392 M N 1.931 121.422 119.600 -0.182 0.000 2.249 392 M HA 0.435 4.915 4.480 -0.001 0.000 0.351 392 M C 0.240 176.467 176.300 -0.121 0.000 1.180 392 M CA -0.089 55.117 55.300 -0.156 0.000 1.127 392 M CB 1.785 34.270 32.600 -0.192 0.000 1.546 392 M HN 0.130 nan 8.290 nan 0.000 0.461 393 T N -1.014 113.489 114.554 -0.084 0.000 2.883 393 T HA 0.517 4.866 4.350 -0.001 0.000 0.296 393 T C -2.543 172.138 174.700 -0.032 0.000 1.117 393 T CA -1.735 60.330 62.100 -0.060 0.000 1.006 393 T CB 1.702 70.534 68.868 -0.058 0.000 1.191 393 T HN 0.290 nan 8.240 nan 0.000 0.508 394 P HA 0.012 nan 4.420 nan 0.000 0.220 394 P C 0.815 178.113 177.300 -0.003 0.000 1.148 394 P CA 0.901 63.998 63.100 -0.006 0.000 0.803 394 P CB 0.051 31.750 31.700 -0.003 0.000 0.782 395 D N -0.842 119.554 120.400 -0.007 0.000 2.323 395 D HA -0.052 4.587 4.640 -0.001 0.000 0.209 395 D C 1.091 177.392 176.300 0.003 0.000 0.973 395 D CA 0.839 54.838 54.000 -0.001 0.000 0.874 395 D CB -0.112 40.688 40.800 -0.001 0.000 0.930 395 D HN 0.353 nan 8.370 nan 0.000 0.521 396 N N -0.173 118.525 118.700 -0.004 0.000 2.184 396 N HA -0.021 4.719 4.740 -0.001 0.000 0.206 396 N C 1.403 176.914 175.510 0.002 0.000 1.151 396 N CA -0.032 53.020 53.050 0.002 0.000 0.878 396 N CB -0.190 38.298 38.487 0.001 0.000 1.014 396 N HN -0.106 nan 8.380 nan 0.000 0.512 397 M N 0.853 120.455 119.600 0.003 0.000 2.213 397 M HA 0.177 4.656 4.480 -0.001 0.000 0.263 397 M C 1.713 178.032 176.300 0.032 0.000 1.062 397 M CA 1.127 56.441 55.300 0.023 0.000 1.105 397 M CB -0.426 32.193 32.600 0.030 0.000 1.385 397 M HN 0.332 nan 8.290 nan 0.000 0.417 398 A N 0.316 123.146 122.820 0.017 0.000 1.843 398 A HA 0.063 4.382 4.320 -0.001 0.000 0.213 398 A C -0.361 177.224 177.584 0.002 0.000 1.202 398 A CA 0.955 52.997 52.037 0.009 0.000 0.607 398 A CB -2.097 16.907 19.000 0.008 0.000 0.847 398 A HN 0.422 nan 8.150 nan 0.000 0.445 399 P HA -0.160 nan 4.420 nan 0.000 0.216 399 P C 1.690 178.986 177.300 -0.007 0.000 1.150 399 P CA 1.245 64.353 63.100 0.014 0.000 0.837 399 P CB -0.211 31.512 31.700 0.037 0.000 0.786 400 L N -0.658 120.567 121.223 0.003 0.000 2.056 400 L HA -0.067 4.272 4.340 -0.001 0.000 0.207 400 L C 2.065 178.925 176.870 -0.017 0.000 1.078 400 L CA 1.974 56.812 54.840 -0.003 0.000 0.749 400 L CB -1.334 40.728 42.059 0.006 0.000 0.901 400 L HN -0.099 nan 8.230 nan 0.000 0.433 401 C N 0.255 119.557 119.300 0.004 0.000 2.448 401 C HA -0.009 4.451 4.460 -0.001 0.000 0.280 401 C C 2.492 177.420 174.990 -0.104 0.000 1.398 401 C CA 0.609 59.609 59.018 -0.030 0.000 1.774 401 C CB -0.997 26.729 27.740 -0.024 0.000 1.888 401 C HN 0.613 nan 8.230 nan 0.000 0.519 402 E N 1.315 121.451 120.200 -0.107 0.000 2.112 402 E HA -0.058 4.292 4.350 -0.001 0.000 0.190 402 E C 2.415 178.834 176.600 -0.303 0.000 0.979 402 E CA 1.083 57.400 56.400 -0.139 0.000 0.814 402 E CB -0.229 29.425 29.700 -0.077 0.000 0.762 402 E HN 0.637 nan 8.360 nan 0.000 0.460 403 A N 1.933 124.506 122.820 -0.412 0.000 1.865 403 A HA -0.202 4.118 4.320 -0.001 0.000 0.217 403 A C 2.239 179.416 177.584 -0.679 0.000 1.191 403 A CA 1.237 52.727 52.037 -0.911 0.000 0.623 403 A CB -0.769 17.886 19.000 -0.576 0.000 0.826 403 A HN 0.120 nan 8.150 nan 0.000 0.444 404 I N -0.309 120.066 120.570 -0.325 0.000 2.163 404 I HA -0.192 3.978 4.170 -0.001 0.000 0.243 404 I C 1.308 177.333 176.117 -0.154 0.000 1.085 404 I CA 0.570 61.758 61.300 -0.187 0.000 1.347 404 I CB -0.537 37.387 38.000 -0.128 0.000 1.044 404 I HN 0.112 nan 8.210 nan 0.000 0.408 408 V N -1.135 118.782 119.914 0.005 0.000 3.605 408 V HA 0.503 4.622 4.120 -0.001 0.000 0.284 408 V C 0.731 176.870 176.094 0.074 0.000 1.386 408 V CA -0.016 62.333 62.300 0.080 0.000 1.053 408 V CB -0.518 31.370 31.823 0.109 0.000 0.857 408 V HN 0.312 nan 8.190 nan 0.000 0.436 409 L N 0.000 121.264 121.223 0.068 0.000 2.949 409 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 409 L CA 0.000 54.893 54.840 0.089 0.000 0.813 409 L CB 0.000 42.130 42.059 0.118 0.000 0.961 409 L HN 0.000 nan 8.230 nan 0.000 0.502