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 2wsw_1_A DATA FIRST_RESID -4 DATA SEQUENCE AARGSHMKDN KKAGIEPKVF FPPLIIVGIL CWLTVRDLDA SNEVINAVFS DATA SEQUENCE YVTNVWGWAF EWYMVIMFGG WFWLVFGRYA KKRLGDEKPE FSTASWIFMM DATA SEQUENCE FASCTSAAVL FWGSIEIYYY ISSPPFGMEG YSAPAKEIGL AYSLFHWGPL DATA SEQUENCE PWATYSFLSV AFAYFFFVRK MEVIRPSSTL VPLVGEKHVN GLFGTVVDNF DATA SEQUENCE YLVALILAMG TSLGLATPLV TECIQYLFGI PHTLQLDAII ISCWILLNAI DATA SEQUENCE CVAFGLQKGV KIASDVRTYL SFLMLGWVFI VGGASFIVNY FTDSVGTLLM DATA SEQUENCE YMPRMLFYTD PIGKGGFPQA WTVFYWAWWV IYAIQMSIFL ARISKGRTVR DATA SEQUENCE ELCLGMVSGL TAGTWLIWTI LGGNTLQLID QNILNIPQLI DQYGVPRAII DATA SEQUENCE ETWAALPLST ATMWGFFILC FIATVTLINA CSYTLAMSTC RSMKEGADPP DATA SEQUENCE LLVRIGWSVL VGIIGIILLA LGGLKPIQTA IIAGGCPLFF VNIMVTLSFI DATA SEQUENCE KDAKVHWK 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 -4 A HA 0.000 nan 4.320 nan 0.000 0.244 -4 A C 0.000 177.589 177.584 0.008 0.000 1.274 -4 A CA 0.000 52.044 52.037 0.012 0.000 0.836 -4 A CB 0.000 19.018 19.000 0.029 0.000 0.831 -3 A N -0.224 122.592 122.820 -0.007 0.000 2.566 -3 A HA 0.896 5.215 4.320 -0.002 0.000 0.290 -3 A C -0.838 176.735 177.584 -0.018 0.000 1.071 -3 A CA -0.371 51.660 52.037 -0.009 0.000 0.658 -3 A CB 0.900 19.902 19.000 0.003 0.000 1.285 -3 A HN 0.918 nan 8.150 nan 0.000 0.427 -2 R N -0.729 119.760 120.500 -0.018 0.000 2.888 -2 R HA 0.593 4.931 4.340 -0.002 0.000 0.266 -2 R C 0.664 176.952 176.300 -0.019 0.000 1.020 -2 R CA 0.437 56.530 56.100 -0.012 0.000 0.963 -2 R CB 1.763 32.062 30.300 -0.003 0.000 1.197 -2 R HN 2.516 nan 8.270 nan 0.000 0.481 -1 G N 0.834 109.628 108.800 -0.011 0.000 2.176 -1 G HA2 -0.305 3.653 3.960 -0.002 0.000 0.252 -1 G HA3 -0.305 3.653 3.960 -0.002 0.000 0.252 -1 G C 0.532 175.406 174.900 -0.043 0.000 1.024 -1 G CA 0.739 45.831 45.100 -0.013 0.000 0.755 -1 G HN 0.592 nan 8.290 nan 0.000 0.507 0 S N -0.856 114.799 115.700 -0.076 0.000 2.387 0 S HA -0.007 4.462 4.470 -0.002 0.000 0.226 0 S C 1.289 175.670 174.600 -0.365 0.000 1.026 0 S CA 1.673 59.739 58.200 -0.223 0.000 0.972 0 S CB -0.098 62.937 63.200 -0.275 0.000 0.814 0 S HN 0.725 nan 8.310 nan 0.000 0.477 1 H N 0.053 119.126 119.070 0.003 0.000 2.500 1 H HA 0.443 4.998 4.556 -0.002 0.000 0.243 1 H C -0.113 175.217 175.328 0.004 0.000 1.318 1 H CA -0.078 55.972 56.048 0.004 0.000 1.077 1 H CB 0.301 30.066 29.762 0.004 0.000 1.748 1 H HN 0.312 nan 8.280 nan 0.000 0.556 2 M N 0.403 120.040 119.600 0.062 0.000 2.685 2 M HA 0.247 4.726 4.480 -0.002 0.000 0.355 2 M C -0.279 176.039 176.300 0.031 0.000 1.197 2 M CA -0.055 55.271 55.300 0.044 0.000 0.947 2 M CB 0.487 33.102 32.600 0.024 0.000 1.346 2 M HN 0.044 nan 8.290 nan 0.000 0.516 3 K N 0.104 120.526 120.400 0.037 0.000 3.138 3 K HA 0.193 4.512 4.320 -0.002 0.000 0.309 3 K C -2.001 174.619 176.600 0.033 0.000 1.090 3 K CA -0.465 55.839 56.287 0.027 0.000 0.816 3 K CB 0.599 33.107 32.500 0.013 0.000 1.476 3 K HN -0.078 nan 8.250 nan 0.000 0.380 4 D N 1.185 121.601 120.400 0.026 0.000 2.423 4 D HA 0.002 4.641 4.640 -0.002 0.000 0.238 4 D C 0.902 177.212 176.300 0.017 0.000 1.142 4 D CA 0.048 54.064 54.000 0.026 0.000 0.884 4 D CB 0.670 41.482 40.800 0.020 0.000 1.199 4 D HN 0.442 nan 8.370 nan 0.000 0.438 5 N N 1.566 120.277 118.700 0.019 0.000 2.104 5 N HA -0.220 4.519 4.740 -0.002 0.000 0.190 5 N C 0.579 176.086 175.510 -0.005 0.000 1.024 5 N CA 1.310 54.364 53.050 0.006 0.000 0.853 5 N CB -0.086 38.409 38.487 0.013 0.000 1.008 5 N HN 0.626 nan 8.380 nan 0.000 0.424 6 K N -0.940 119.460 120.400 0.000 0.000 3.020 6 K HA -0.277 4.042 4.320 -0.002 0.000 0.266 6 K C -0.702 175.894 176.600 -0.008 0.000 1.067 6 K CA 1.344 57.629 56.287 -0.003 0.000 0.780 6 K CB -2.364 30.134 32.500 -0.003 0.000 1.220 6 K HN 0.546 nan 8.250 nan 0.000 0.483 7 K N -0.872 119.522 120.400 -0.010 0.000 2.482 7 K HA 0.795 5.114 4.320 -0.002 0.000 0.257 7 K C -1.158 175.433 176.600 -0.015 0.000 0.969 7 K CA -0.703 55.575 56.287 -0.015 0.000 0.842 7 K CB 2.391 34.878 32.500 -0.021 0.000 1.359 7 K HN 0.219 nan 8.250 nan 0.000 0.441 8 A N 0.796 123.604 122.820 -0.019 0.000 2.330 8 A HA 0.908 5.227 4.320 -0.002 0.000 0.327 8 A C -0.128 177.434 177.584 -0.036 0.000 1.155 8 A CA -0.109 51.914 52.037 -0.023 0.000 0.803 8 A CB 1.118 20.107 19.000 -0.018 0.000 1.208 8 A HN 1.130 nan 8.150 nan 0.000 0.477 9 G N 0.226 108.999 108.800 -0.045 0.000 2.324 9 G HA2 0.525 4.484 3.960 -0.002 0.000 0.293 9 G HA3 0.525 4.484 3.960 -0.002 0.000 0.293 9 G C -0.751 174.091 174.900 -0.097 0.000 1.297 9 G CA -0.217 44.836 45.100 -0.077 0.000 0.853 9 G HN 1.856 nan 8.290 nan 0.000 0.535 10 I N -1.539 118.917 120.570 -0.190 0.000 2.696 10 I HA 0.725 4.894 4.170 -0.002 0.000 0.284 10 I C 0.139 176.168 176.117 -0.147 0.000 1.129 10 I CA -0.411 60.736 61.300 -0.256 0.000 1.410 10 I CB 1.481 39.033 38.000 -0.748 0.000 1.399 10 I HN 0.608 nan 8.210 nan 0.000 0.579 11 E N 6.477 126.648 120.200 -0.049 0.000 2.101 11 E HA 0.407 4.756 4.350 -0.002 0.000 0.260 11 E C -2.102 174.534 176.600 0.059 0.000 0.897 11 E CA -2.027 54.382 56.400 0.014 0.000 0.744 11 E CB 1.232 30.959 29.700 0.045 0.000 1.140 11 E HN 0.512 nan 8.360 nan 0.000 0.419 12 P HA -0.216 nan 4.420 nan 0.000 0.218 12 P C 0.854 178.321 177.300 0.279 0.000 1.146 12 P CA 1.046 64.294 63.100 0.246 0.000 0.813 12 P CB 0.238 32.189 31.700 0.419 0.000 0.778 13 K N -0.156 120.350 120.400 0.176 0.000 2.052 13 K HA -0.177 4.142 4.320 -0.002 0.000 0.215 13 K C 1.414 178.097 176.600 0.139 0.000 1.053 13 K CA 2.392 58.763 56.287 0.140 0.000 0.934 13 K CB -0.276 32.285 32.500 0.101 0.000 0.717 13 K HN 0.149 nan 8.250 nan 0.000 0.450 14 V N -3.282 116.715 119.914 0.138 0.000 3.398 14 V HA 0.155 4.274 4.120 -0.002 0.000 0.298 14 V C 1.171 177.351 176.094 0.145 0.000 1.496 14 V CA -0.236 62.132 62.300 0.114 0.000 1.044 14 V CB -0.122 31.750 31.823 0.081 0.000 0.880 14 V HN 0.203 nan 8.190 nan 0.000 0.443 15 F N 0.710 120.658 119.950 -0.003 0.000 2.262 15 F HA 0.279 4.805 4.527 -0.002 0.000 0.292 15 F C 1.755 177.526 175.800 -0.048 0.000 1.081 15 F CA 1.349 59.325 58.000 -0.040 0.000 1.355 15 F CB 0.176 38.994 39.000 -0.303 0.000 1.069 15 F HN 0.122 nan 8.300 nan 0.000 0.506 16 F N 0.993 121.118 119.950 0.292 0.000 2.149 16 F HA 0.107 4.633 4.527 -0.002 0.000 0.294 16 F C -0.547 175.279 175.800 0.044 0.000 1.095 16 F CA 0.640 58.738 58.000 0.163 0.000 1.276 16 F CB -2.397 36.713 39.000 0.183 0.000 1.023 16 F HN -0.067 nan 8.300 nan 0.000 0.480 17 P HA -0.127 nan 4.420 nan 0.000 0.215 17 P C -1.415 175.910 177.300 0.042 0.000 1.157 17 P CA 2.064 65.223 63.100 0.098 0.000 0.868 17 P CB -1.205 30.527 31.700 0.053 0.000 0.788 18 P HA -0.153 nan 4.420 nan 0.000 0.215 18 P C 1.694 179.034 177.300 0.067 0.000 1.157 18 P CA 0.910 64.017 63.100 0.011 0.000 0.868 18 P CB -0.500 31.189 31.700 -0.018 0.000 0.788 19 L N -0.510 120.763 121.223 0.084 0.000 2.013 19 L HA -0.177 4.162 4.340 -0.002 0.000 0.212 19 L C 2.267 179.164 176.870 0.044 0.000 1.073 19 L CA 1.822 56.679 54.840 0.029 0.000 0.753 19 L CB -1.371 40.595 42.059 -0.155 0.000 0.890 19 L HN -0.106 nan 8.230 nan 0.000 0.432 20 I N -1.160 119.448 120.570 0.064 0.000 2.226 20 I HA -0.308 3.861 4.170 -0.002 0.000 0.245 20 I C 2.293 178.438 176.117 0.045 0.000 1.100 20 I CA 0.877 62.209 61.300 0.054 0.000 1.374 20 I CB -0.328 37.705 38.000 0.056 0.000 1.057 20 I HN 0.226 nan 8.210 nan 0.000 0.413 21 I N 0.261 120.850 120.570 0.031 0.000 2.202 21 I HA -0.181 3.987 4.170 -0.002 0.000 0.242 21 I C 2.611 178.751 176.117 0.038 0.000 1.091 21 I CA 1.468 62.778 61.300 0.018 0.000 1.368 21 I CB -0.958 37.024 38.000 -0.030 0.000 1.058 21 I HN 0.069 nan 8.210 nan 0.000 0.410 22 V N 1.226 121.165 119.914 0.043 0.000 2.515 22 V HA -0.123 3.996 4.120 -0.002 0.000 0.250 22 V C 2.663 178.803 176.094 0.077 0.000 1.058 22 V CA 1.771 64.105 62.300 0.056 0.000 1.064 22 V CB -1.306 30.556 31.823 0.065 0.000 0.675 22 V HN 0.491 nan 8.190 nan 0.000 0.461 23 G N 0.138 108.984 108.800 0.077 0.000 2.433 23 G HA2 -0.215 3.744 3.960 -0.002 0.000 0.216 23 G HA3 -0.215 3.744 3.960 -0.002 0.000 0.216 23 G C 1.581 176.569 174.900 0.147 0.000 1.186 23 G CA 0.985 46.138 45.100 0.088 0.000 0.779 23 G HN 0.461 nan 8.290 nan 0.000 0.543 24 I N 0.556 121.214 120.570 0.146 0.000 2.264 24 I HA -0.168 4.001 4.170 -0.002 0.000 0.248 24 I C 2.707 178.969 176.117 0.241 0.000 1.111 24 I CA 0.758 62.206 61.300 0.246 0.000 1.382 24 I CB -0.180 37.929 38.000 0.182 0.000 1.060 24 I HN 0.156 nan 8.210 nan 0.000 0.418 25 L N -0.489 120.815 121.223 0.134 0.000 2.056 25 L HA -0.220 4.119 4.340 -0.002 0.000 0.207 25 L C 2.789 179.705 176.870 0.076 0.000 1.078 25 L CA 1.119 56.008 54.840 0.080 0.000 0.749 25 L CB -0.730 41.360 42.059 0.053 0.000 0.901 25 L HN 0.385 nan 8.230 nan 0.000 0.433 26 C N -0.588 118.776 119.300 0.106 0.000 2.413 26 C HA -0.235 4.224 4.460 -0.002 0.000 0.277 26 C C 2.661 177.731 174.990 0.134 0.000 1.228 26 C CA 0.721 59.801 59.018 0.104 0.000 1.731 26 C CB -1.029 26.778 27.740 0.112 0.000 2.042 26 C HN 0.808 nan 8.230 nan 0.000 0.468 27 W N 1.394 122.700 121.300 0.011 0.000 2.335 27 W HA -0.144 4.515 4.660 -0.002 0.000 0.311 27 W C 2.075 178.599 176.519 0.008 0.000 1.213 27 W CA 1.422 58.773 57.345 0.009 0.000 1.274 27 W CB -0.748 28.716 29.460 0.007 0.000 1.148 27 W HN 0.250 nan 8.180 nan 0.000 0.498 28 L N 0.041 121.052 121.223 -0.353 0.000 2.046 28 L HA -0.238 4.100 4.340 -0.002 0.000 0.208 28 L C 2.508 179.191 176.870 -0.311 0.000 1.077 28 L CA 1.945 56.453 54.840 -0.553 0.000 0.747 28 L CB -1.347 40.520 42.059 -0.320 0.000 0.896 28 L HN -0.068 nan 8.230 nan 0.000 0.432 29 T N -0.848 113.616 114.554 -0.151 0.000 2.720 29 T HA -0.158 4.190 4.350 -0.002 0.000 0.268 29 T C 1.906 176.551 174.700 -0.091 0.000 1.037 29 T CA 1.339 63.385 62.100 -0.091 0.000 1.144 29 T CB -0.159 68.690 68.868 -0.031 0.000 0.864 29 T HN 0.072 nan 8.240 nan 0.000 0.444 30 V N 1.110 120.972 119.914 -0.086 0.000 2.719 30 V HA -0.024 4.095 4.120 -0.002 0.000 0.252 30 V C 2.542 178.585 176.094 -0.085 0.000 1.065 30 V CA 1.087 63.358 62.300 -0.049 0.000 1.086 30 V CB -0.575 31.259 31.823 0.017 0.000 0.700 30 V HN 0.347 nan 8.190 nan 0.000 0.467 31 R N 0.373 120.757 120.500 -0.193 0.000 2.103 31 R HA -0.174 4.165 4.340 -0.002 0.000 0.242 31 R C 0.471 176.700 176.300 -0.117 0.000 1.142 31 R CA 1.937 57.919 56.100 -0.197 0.000 0.960 31 R CB 0.123 30.198 30.300 -0.375 0.000 0.858 31 R HN 0.468 nan 8.270 nan 0.000 0.439 32 D N -1.064 119.267 120.400 -0.115 0.000 2.337 32 D HA 0.083 4.722 4.640 -0.002 0.000 0.238 32 D C 0.599 176.860 176.300 -0.064 0.000 1.331 32 D CA -0.199 53.755 54.000 -0.077 0.000 0.967 32 D CB 0.731 41.484 40.800 -0.079 0.000 1.382 32 D HN 0.061 nan 8.370 nan 0.000 0.549 33 L N 1.495 122.690 121.223 -0.047 0.000 2.127 33 L HA -0.108 4.231 4.340 -0.002 0.000 0.211 33 L C 1.517 178.365 176.870 -0.036 0.000 1.089 33 L CA 1.076 55.893 54.840 -0.038 0.000 0.757 33 L CB 0.014 42.057 42.059 -0.026 0.000 0.899 33 L HN 0.389 nan 8.230 nan 0.000 0.434 34 D N 0.009 120.388 120.400 -0.035 0.000 2.194 34 D HA -0.082 4.557 4.640 -0.002 0.000 0.204 34 D C 2.153 178.432 176.300 -0.034 0.000 0.964 34 D CA 1.339 55.320 54.000 -0.032 0.000 0.846 34 D CB 0.252 41.035 40.800 -0.028 0.000 0.962 34 D HN 0.353 nan 8.370 nan 0.000 0.490 35 A N 0.915 123.711 122.820 -0.040 0.000 1.975 35 A HA -0.029 4.290 4.320 -0.002 0.000 0.215 35 A C 2.445 180.002 177.584 -0.044 0.000 1.170 35 A CA 0.768 52.780 52.037 -0.042 0.000 0.656 35 A CB -0.188 18.782 19.000 -0.049 0.000 0.821 35 A HN 0.030 nan 8.150 nan 0.000 0.449 36 S N 1.013 116.682 115.700 -0.050 0.000 2.353 36 S HA -0.183 4.286 4.470 -0.002 0.000 0.222 36 S C 1.916 176.496 174.600 -0.034 0.000 1.035 36 S CA 1.521 59.693 58.200 -0.047 0.000 1.025 36 S CB -0.469 62.701 63.200 -0.050 0.000 0.902 36 S HN 0.644 nan 8.310 nan 0.000 0.440 37 N N 1.171 119.851 118.700 -0.035 0.000 2.192 37 N HA -0.108 4.630 4.740 -0.002 0.000 0.188 37 N C 1.631 177.122 175.510 -0.033 0.000 1.013 37 N CA 0.978 54.007 53.050 -0.036 0.000 0.863 37 N CB -0.299 38.165 38.487 -0.039 0.000 0.990 37 N HN 0.567 nan 8.380 nan 0.000 0.430 38 E N -0.147 120.036 120.200 -0.028 0.000 2.072 38 E HA -0.061 4.288 4.350 -0.002 0.000 0.190 38 E C 1.885 178.478 176.600 -0.011 0.000 0.982 38 E CA 0.636 57.024 56.400 -0.021 0.000 0.803 38 E CB 0.159 29.847 29.700 -0.020 0.000 0.755 38 E HN 0.084 nan 8.360 nan 0.000 0.453 39 V N 1.484 121.390 119.914 -0.014 0.000 2.323 39 V HA -0.227 3.891 4.120 -0.002 0.000 0.244 39 V C 2.262 178.364 176.094 0.013 0.000 1.041 39 V CA 1.222 63.519 62.300 -0.005 0.000 1.025 39 V CB -0.314 31.499 31.823 -0.017 0.000 0.656 39 V HN 0.261 nan 8.190 nan 0.000 0.451 40 I N 0.765 121.338 120.570 0.005 0.000 2.113 40 I HA -0.336 3.833 4.170 -0.002 0.000 0.242 40 I C 2.388 178.528 176.117 0.038 0.000 1.064 40 I CA 1.846 63.156 61.300 0.016 0.000 1.320 40 I CB -0.487 37.505 38.000 -0.013 0.000 1.028 40 I HN 0.402 nan 8.210 nan 0.000 0.406 41 N N 0.838 119.542 118.700 0.008 0.000 2.166 41 N HA -0.121 4.617 4.740 -0.002 0.000 0.186 41 N C 1.794 177.361 175.510 0.095 0.000 1.019 41 N CA 1.567 54.627 53.050 0.017 0.000 0.856 41 N CB -0.380 38.090 38.487 -0.028 0.000 0.993 41 N HN 0.397 nan 8.380 nan 0.000 0.426 42 A N 0.473 123.337 122.820 0.073 0.000 1.968 42 A HA -0.006 4.313 4.320 -0.002 0.000 0.217 42 A C 2.454 180.119 177.584 0.135 0.000 1.169 42 A CA 0.861 52.952 52.037 0.089 0.000 0.638 42 A CB -0.484 18.544 19.000 0.046 0.000 0.812 42 A HN 0.093 nan 8.150 nan 0.000 0.446 43 V N -1.230 118.761 119.914 0.127 0.000 2.358 43 V HA -0.208 3.910 4.120 -0.002 0.000 0.246 43 V C 2.212 178.428 176.094 0.204 0.000 1.047 43 V CA 1.957 64.353 62.300 0.160 0.000 1.035 43 V CB -0.956 30.937 31.823 0.117 0.000 0.658 43 V HN 0.633 nan 8.190 nan 0.000 0.452 44 F N 1.271 121.240 119.950 0.031 0.000 2.043 44 F HA -0.258 4.268 4.527 -0.002 0.000 0.297 44 F C 2.656 178.451 175.800 -0.008 0.000 1.121 44 F CA 2.269 60.256 58.000 -0.022 0.000 1.199 44 F CB -0.332 38.608 39.000 -0.102 0.000 0.968 44 F HN 0.064 nan 8.300 nan 0.000 0.478 45 S N -0.982 114.831 115.700 0.188 0.000 2.382 45 S HA -0.242 4.227 4.470 -0.002 0.000 0.228 45 S C 1.688 176.302 174.600 0.024 0.000 1.027 45 S CA 1.360 59.606 58.200 0.077 0.000 0.991 45 S CB -0.748 62.531 63.200 0.132 0.000 0.823 45 S HN 0.661 nan 8.310 nan 0.000 0.469 46 Y N 2.002 122.300 120.300 -0.003 0.000 2.153 46 Y HA -0.115 4.433 4.550 -0.002 0.000 0.289 46 Y C 2.150 178.081 175.900 0.053 0.000 1.127 46 Y CA 1.290 59.407 58.100 0.028 0.000 1.131 46 Y CB -0.542 37.961 38.460 0.071 0.000 0.995 46 Y HN 0.011 nan 8.280 nan 0.000 0.505 47 V N 0.638 120.577 119.914 0.042 0.000 2.261 47 V HA -0.338 3.781 4.120 -0.002 0.000 0.246 47 V C 2.625 178.662 176.094 -0.095 0.000 1.047 47 V CA 2.649 64.963 62.300 0.022 0.000 1.015 47 V CB -1.540 30.360 31.823 0.129 0.000 0.642 47 V HN 0.720 nan 8.190 nan 0.000 0.446 48 T N -0.961 113.437 114.554 -0.260 0.000 2.684 48 T HA -0.234 4.114 4.350 -0.002 0.000 0.267 48 T C 1.733 176.313 174.700 -0.200 0.000 1.036 48 T CA 1.865 63.776 62.100 -0.315 0.000 1.148 48 T CB -0.551 67.939 68.868 -0.630 0.000 0.863 48 T HN 0.416 nan 8.240 nan 0.000 0.436 49 N N 1.031 119.607 118.700 -0.206 0.000 2.216 49 N HA 0.020 4.759 4.740 -0.002 0.000 0.183 49 N C 1.955 177.361 175.510 -0.173 0.000 1.017 49 N CA 1.052 54.010 53.050 -0.153 0.000 0.861 49 N CB -0.333 38.080 38.487 -0.123 0.000 0.986 49 N HN 0.383 nan 8.380 nan 0.000 0.428 50 V N -1.698 118.015 119.914 -0.334 0.000 2.825 50 V HA 0.031 4.150 4.120 -0.002 0.000 0.246 50 V C 0.797 176.525 176.094 -0.610 0.000 1.068 50 V CA 0.766 62.732 62.300 -0.556 0.000 1.088 50 V CB -0.159 31.096 31.823 -0.947 0.000 0.733 50 V HN 0.290 nan 8.190 nan 0.000 0.468 51 W N -0.153 121.044 121.300 -0.172 0.000 2.862 51 W HA 0.465 5.124 4.660 -0.002 0.000 0.376 51 W C 2.009 178.341 176.519 -0.311 0.000 1.028 51 W CA 0.268 57.408 57.345 -0.342 0.000 1.757 51 W CB -0.037 29.212 29.460 -0.352 0.000 1.128 51 W HN 0.151 nan 8.180 nan 0.000 0.566 52 G N 2.196 111.039 108.800 0.071 0.000 2.442 52 G HA2 -0.299 3.660 3.960 -0.002 0.000 0.219 52 G HA3 -0.299 3.660 3.960 -0.002 0.000 0.219 52 G C 1.319 176.354 174.900 0.225 0.000 1.141 52 G CA 1.345 46.543 45.100 0.163 0.000 0.763 52 G HN 0.489 nan 8.290 nan 0.000 0.554 53 W N 1.298 122.743 121.300 0.242 0.000 2.325 53 W HA 0.010 4.669 4.660 -0.002 0.000 0.299 53 W C 2.155 178.965 176.519 0.485 0.000 1.215 53 W CA 1.298 58.854 57.345 0.351 0.000 1.244 53 W CB -1.161 28.483 29.460 0.307 0.000 1.140 53 W HN 0.314 nan 8.180 nan 0.000 0.523 54 A N 0.743 123.105 122.820 -0.763 0.000 1.969 54 A HA -0.090 4.229 4.320 -0.002 0.000 0.218 54 A C 1.843 179.418 177.584 -0.014 0.000 1.169 54 A CA 1.421 53.059 52.037 -0.665 0.000 0.635 54 A CB -1.347 16.864 19.000 -1.315 0.000 0.810 54 A HN 0.240 nan 8.150 nan 0.000 0.445 55 F N 0.264 120.253 119.950 0.064 0.000 2.186 55 F HA -0.081 4.445 4.527 -0.002 0.000 0.299 55 F C 2.443 178.473 175.800 0.384 0.000 1.090 55 F CA 1.642 59.789 58.000 0.246 0.000 1.307 55 F CB -0.242 38.869 39.000 0.184 0.000 1.019 55 F HN 0.312 nan 8.300 nan 0.000 0.489 56 E N -1.344 119.189 120.200 0.556 0.000 2.072 56 E HA -0.226 4.122 4.350 -0.002 0.000 0.191 56 E C 2.036 178.751 176.600 0.193 0.000 0.985 56 E CA 1.335 57.990 56.400 0.425 0.000 0.801 56 E CB -0.393 29.491 29.700 0.307 0.000 0.750 56 E HN 0.474 nan 8.360 nan 0.000 0.452 57 W N 0.083 121.579 121.300 0.326 0.000 2.425 57 W HA -0.135 4.524 4.660 -0.002 0.000 0.277 57 W C 2.112 178.764 176.519 0.222 0.000 1.231 57 W CA 0.745 58.267 57.345 0.295 0.000 1.248 57 W CB -0.314 29.384 29.460 0.398 0.000 1.117 57 W HN 0.214 nan 8.180 nan 0.000 0.568 58 Y N 0.224 120.699 120.300 0.290 0.000 2.163 58 Y HA -0.310 4.239 4.550 -0.002 0.000 0.288 58 Y C 2.331 178.233 175.900 0.003 0.000 1.136 58 Y CA 1.795 59.947 58.100 0.086 0.000 1.147 58 Y CB -0.364 38.095 38.460 -0.001 0.000 0.987 58 Y HN -0.229 nan 8.280 nan 0.000 0.509 59 M N -0.494 119.189 119.600 0.138 0.000 2.159 59 M HA -0.178 4.300 4.480 -0.002 0.000 0.263 59 M C 2.142 178.374 176.300 -0.112 0.000 1.063 59 M CA 1.126 56.316 55.300 -0.183 0.000 1.110 59 M CB -1.286 30.894 32.600 -0.700 0.000 1.374 59 M HN 0.273 nan 8.290 nan 0.000 0.411 60 V N 0.810 120.689 119.914 -0.059 0.000 2.287 60 V HA -0.259 3.859 4.120 -0.002 0.000 0.248 60 V C 2.521 178.738 176.094 0.203 0.000 1.053 60 V CA 1.374 63.701 62.300 0.045 0.000 1.027 60 V CB -0.639 31.124 31.823 -0.100 0.000 0.646 60 V HN 0.268 nan 8.190 nan 0.000 0.447 61 I N -0.804 119.870 120.570 0.175 0.000 2.179 61 I HA -0.200 3.968 4.170 -0.002 0.000 0.242 61 I C 2.456 178.657 176.117 0.139 0.000 1.088 61 I CA 1.676 63.072 61.300 0.160 0.000 1.357 61 I CB -1.200 36.851 38.000 0.085 0.000 1.051 61 I HN 0.272 nan 8.210 nan 0.000 0.409 62 M N -0.215 119.396 119.600 0.017 0.000 2.117 62 M HA -0.199 4.280 4.480 -0.002 0.000 0.262 62 M C 2.400 178.871 176.300 0.285 0.000 1.065 62 M CA 1.482 56.846 55.300 0.106 0.000 1.114 62 M CB -1.388 31.147 32.600 -0.108 0.000 1.361 62 M HN 0.149 nan 8.290 nan 0.000 0.408 63 F N 1.267 121.264 119.950 0.078 0.000 2.095 63 F HA -0.084 4.442 4.527 -0.002 0.000 0.298 63 F C 2.270 178.314 175.800 0.407 0.000 1.104 63 F CA 1.675 59.769 58.000 0.158 0.000 1.232 63 F CB -1.056 37.978 39.000 0.057 0.000 0.987 63 F HN 0.189 nan 8.300 nan 0.000 0.475 64 G N -0.423 108.529 108.800 0.254 0.000 2.440 64 G HA2 -0.243 3.716 3.960 -0.002 0.000 0.218 64 G HA3 -0.243 3.716 3.960 -0.002 0.000 0.218 64 G C 1.985 177.084 174.900 0.331 0.000 1.154 64 G CA 0.759 46.000 45.100 0.235 0.000 0.767 64 G HN 0.648 nan 8.290 nan 0.000 0.552 65 G N -0.176 108.819 108.800 0.325 0.000 2.442 65 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.219 65 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.219 65 G C 1.555 176.514 174.900 0.099 0.000 1.141 65 G CA 0.926 46.180 45.100 0.256 0.000 0.763 65 G HN 0.503 nan 8.290 nan 0.000 0.554 66 W N 0.764 122.045 121.300 -0.032 0.000 2.342 66 W HA -0.049 4.610 4.660 -0.002 0.000 0.297 66 W C 2.111 178.504 176.519 -0.210 0.000 1.213 66 W CA 1.410 58.657 57.345 -0.162 0.000 1.251 66 W CB -0.263 29.073 29.460 -0.206 0.000 1.136 66 W HN 0.172 nan 8.180 nan 0.000 0.526 67 F N -1.441 118.611 119.950 0.170 0.000 2.163 67 F HA -0.109 4.417 4.527 -0.002 0.000 0.297 67 F C 2.123 177.987 175.800 0.106 0.000 1.094 67 F CA 1.708 59.803 58.000 0.158 0.000 1.290 67 F CB -1.515 37.628 39.000 0.238 0.000 1.017 67 F HN -0.066 nan 8.300 nan 0.000 0.483 68 W N 1.145 122.520 121.300 0.125 0.000 2.325 68 W HA -0.223 4.435 4.660 -0.002 0.000 0.299 68 W C 1.844 178.287 176.519 -0.126 0.000 1.215 68 W CA 1.824 59.176 57.345 0.011 0.000 1.244 68 W CB -0.449 29.014 29.460 0.006 0.000 1.140 68 W HN -0.017 nan 8.180 nan 0.000 0.523 69 L N -0.861 120.178 121.223 -0.307 0.000 2.109 69 L HA -0.177 4.162 4.340 -0.002 0.000 0.207 69 L C 2.214 178.722 176.870 -0.604 0.000 1.086 69 L CA 0.864 55.386 54.840 -0.529 0.000 0.760 69 L CB -1.040 40.760 42.059 -0.431 0.000 0.910 69 L HN -0.185 nan 8.230 nan 0.000 0.437 70 V N -1.219 118.242 119.914 -0.755 0.000 2.591 70 V HA -0.162 3.957 4.120 -0.002 0.000 0.249 70 V C 1.520 177.085 176.094 -0.882 0.000 1.053 70 V CA 1.581 63.297 62.300 -0.974 0.000 1.068 70 V CB -0.219 30.687 31.823 -1.528 0.000 0.689 70 V HN 0.293 nan 8.190 nan 0.000 0.462 71 F N -0.518 119.234 119.950 -0.330 0.000 2.728 71 F HA 0.484 5.010 4.527 -0.002 0.000 0.314 71 F C 1.489 177.119 175.800 -0.283 0.000 1.094 71 F CA -0.012 57.853 58.000 -0.225 0.000 1.217 71 F CB -0.220 38.724 39.000 -0.093 0.000 1.056 71 F HN 0.116 nan 8.300 nan 0.000 0.577 72 G N 0.506 109.102 108.800 -0.340 0.000 2.510 72 G HA2 0.246 4.205 3.960 -0.002 0.000 0.280 72 G HA3 0.246 4.205 3.960 -0.002 0.000 0.280 72 G C 0.996 175.564 174.900 -0.553 0.000 1.386 72 G CA -0.525 44.246 45.100 -0.549 0.000 1.047 72 G HN 0.241 nan 8.290 nan 0.000 0.527 73 R N -1.709 118.397 120.500 -0.657 0.000 2.193 73 R HA -0.071 4.267 4.340 -0.002 0.000 0.229 73 R C 1.229 177.206 176.300 -0.538 0.000 1.110 73 R CA 1.392 57.162 56.100 -0.550 0.000 0.988 73 R CB -0.352 29.603 30.300 -0.576 0.000 0.871 73 R HN 0.466 nan 8.270 nan 0.000 0.458 74 Y N 0.699 120.681 120.300 -0.530 0.000 2.466 74 Y HA 0.389 4.938 4.550 -0.002 0.000 0.272 74 Y C 2.415 178.006 175.900 -0.514 0.000 1.169 74 Y CA -0.733 57.028 58.100 -0.566 0.000 1.285 74 Y CB -0.202 37.959 38.460 -0.497 0.000 1.078 74 Y HN 0.139 nan 8.280 nan 0.000 0.523 75 A N 0.810 123.427 122.820 -0.340 0.000 1.927 75 A HA -0.254 4.064 4.320 -0.002 0.000 0.220 75 A C 2.111 179.538 177.584 -0.261 0.000 1.185 75 A CA 2.008 53.851 52.037 -0.323 0.000 0.639 75 A CB -0.381 18.419 19.000 -0.334 0.000 0.820 75 A HN 0.404 nan 8.150 nan 0.000 0.451 76 K N -0.523 119.730 120.400 -0.245 0.000 2.393 76 K HA 0.073 4.392 4.320 -0.002 0.000 0.193 76 K C -0.177 176.291 176.600 -0.220 0.000 1.026 76 K CA -0.142 56.025 56.287 -0.200 0.000 1.064 76 K CB 0.238 32.640 32.500 -0.164 0.000 0.833 76 K HN 0.186 nan 8.250 nan 0.000 0.521 77 K N 2.170 122.364 120.400 -0.344 0.000 2.489 77 K HA 0.017 4.336 4.320 -0.002 0.000 0.278 77 K C 0.133 176.629 176.600 -0.175 0.000 1.000 77 K CA 0.292 56.312 56.287 -0.444 0.000 1.012 77 K CB 0.581 32.340 32.500 -1.234 0.000 0.903 77 K HN 0.092 nan 8.250 nan 0.000 0.485 78 R N 2.431 122.916 120.500 -0.025 0.000 2.404 78 R HA 0.240 4.579 4.340 -0.002 0.000 0.291 78 R C -0.282 176.158 176.300 0.233 0.000 1.025 78 R CA -0.484 55.653 56.100 0.062 0.000 0.991 78 R CB 0.512 30.828 30.300 0.026 0.000 1.053 78 R HN 0.442 nan 8.270 nan 0.000 0.479 79 L N 4.372 125.712 121.223 0.195 0.000 2.397 79 L HA 0.386 4.724 4.340 -0.002 0.000 0.263 79 L C 0.146 177.120 176.870 0.175 0.000 1.136 79 L CA -0.153 54.858 54.840 0.285 0.000 1.019 79 L CB 1.098 43.333 42.059 0.293 0.000 1.352 79 L HN 0.963 nan 8.230 nan 0.000 0.420 80 G N 1.036 109.945 108.800 0.180 0.000 3.190 80 G HA2 -0.177 3.782 3.960 -0.002 0.000 0.686 80 G HA3 -0.177 3.782 3.960 -0.002 0.000 0.686 80 G C -0.045 174.868 174.900 0.021 0.000 1.033 80 G CA -0.820 44.327 45.100 0.077 0.000 0.797 80 G HN 0.558 nan 8.290 nan 0.000 0.567 81 D N 1.230 121.648 120.400 0.029 0.000 2.348 81 D HA 0.019 4.657 4.640 -0.002 0.000 0.216 81 D C 1.397 177.678 176.300 -0.031 0.000 0.970 81 D CA 0.997 55.003 54.000 0.009 0.000 0.889 81 D CB 0.354 41.169 40.800 0.025 0.000 0.912 81 D HN 0.772 nan 8.370 nan 0.000 0.524 82 E N 0.974 121.140 120.200 -0.057 0.000 2.410 82 E HA 0.072 4.421 4.350 -0.002 0.000 0.255 82 E C 0.602 177.135 176.600 -0.112 0.000 1.194 82 E CA -0.289 56.060 56.400 -0.086 0.000 0.955 82 E CB 0.724 30.359 29.700 -0.109 0.000 0.988 82 E HN 0.121 nan 8.360 nan 0.000 0.461 83 K N 1.079 121.410 120.400 -0.115 0.000 2.185 83 K HA 0.297 4.615 4.320 -0.002 0.000 0.271 83 K C -2.556 173.941 176.600 -0.172 0.000 1.013 83 K CA -1.636 54.574 56.287 -0.127 0.000 0.943 83 K CB 0.371 32.808 32.500 -0.105 0.000 0.998 83 K HN 0.018 nan 8.250 nan 0.000 0.468 84 P HA -0.066 nan 4.420 nan 0.000 0.265 84 P C -0.624 176.541 177.300 -0.225 0.000 1.187 84 P CA 0.137 63.100 63.100 -0.228 0.000 0.766 84 P CB 0.436 31.983 31.700 -0.254 0.000 0.820 85 E N 0.940 120.963 120.200 -0.295 0.000 2.489 85 E HA 0.101 4.450 4.350 -0.002 0.000 0.193 85 E C -0.280 175.818 176.600 -0.837 0.000 1.057 85 E CA 0.318 56.398 56.400 -0.533 0.000 0.866 85 E CB -0.117 29.192 29.700 -0.653 0.000 0.916 85 E HN 0.418 nan 8.360 nan 0.000 0.500 86 F N 0.083 119.978 119.950 -0.091 0.000 2.599 86 F HA 0.212 4.738 4.527 -0.002 0.000 0.311 86 F C 0.425 176.208 175.800 -0.028 0.000 1.076 86 F CA -1.439 56.549 58.000 -0.020 0.000 0.937 86 F CB 1.377 40.412 39.000 0.058 0.000 1.282 86 F HN -0.249 nan 8.300 nan 0.000 0.460 87 S N -0.697 115.122 115.700 0.198 0.000 2.579 87 S HA 0.110 4.579 4.470 -0.002 0.000 0.275 87 S C 0.853 175.576 174.600 0.206 0.000 1.345 87 S CA -0.265 58.015 58.200 0.133 0.000 1.031 87 S CB 1.071 64.334 63.200 0.104 0.000 0.892 87 S HN 0.704 nan 8.310 nan 0.000 0.529 88 T N 2.077 116.731 114.554 0.167 0.000 2.822 88 T HA -0.122 4.227 4.350 -0.002 0.000 0.270 88 T C 2.014 176.893 174.700 0.297 0.000 1.064 88 T CA 1.612 63.879 62.100 0.278 0.000 1.131 88 T CB -0.710 68.279 68.868 0.202 0.000 0.858 88 T HN 0.823 nan 8.240 nan 0.000 0.483 89 A N 1.241 124.175 122.820 0.190 0.000 1.872 89 A HA -0.005 4.314 4.320 -0.002 0.000 0.214 89 A C 2.557 180.255 177.584 0.190 0.000 1.187 89 A CA 1.530 53.653 52.037 0.143 0.000 0.614 89 A CB -0.609 18.441 19.000 0.083 0.000 0.826 89 A HN 0.455 nan 8.150 nan 0.000 0.442 90 S N -1.599 114.229 115.700 0.213 0.000 2.447 90 S HA -0.143 4.325 4.470 -0.002 0.000 0.233 90 S C 1.444 176.206 174.600 0.271 0.000 1.006 90 S CA 1.059 59.397 58.200 0.231 0.000 0.957 90 S CB -0.383 62.962 63.200 0.243 0.000 0.773 90 S HN 0.795 nan 8.310 nan 0.000 0.507 91 W N 2.706 124.041 121.300 0.059 0.000 2.407 91 W HA 0.037 4.695 4.660 -0.002 0.000 0.305 91 W C 1.542 178.064 176.519 0.005 0.000 1.196 91 W CA 0.546 57.871 57.345 -0.034 0.000 1.311 91 W CB -0.444 29.026 29.460 0.017 0.000 1.135 91 W HN 0.086 nan 8.180 nan 0.000 0.514 92 I N 0.276 120.833 120.570 -0.021 0.000 2.179 92 I HA -0.266 3.903 4.170 -0.002 0.000 0.242 92 I C 2.451 178.560 176.117 -0.012 0.000 1.088 92 I CA 1.582 62.777 61.300 -0.175 0.000 1.357 92 I CB -2.005 35.925 38.000 -0.117 0.000 1.051 92 I HN 0.022 nan 8.210 nan 0.000 0.409 93 F N 1.428 121.364 119.950 -0.024 0.000 2.154 93 F HA -0.249 4.277 4.527 -0.003 0.000 0.301 93 F C 2.592 178.455 175.800 0.104 0.000 1.087 93 F CA 1.664 59.706 58.000 0.071 0.000 1.274 93 F CB -0.178 38.871 39.000 0.083 0.000 1.009 93 F HN -0.069 nan 8.300 nan 0.000 0.485 94 M N -0.594 119.104 119.600 0.163 0.000 2.254 94 M HA -0.194 4.285 4.480 -0.002 0.000 0.265 94 M C 2.039 178.359 176.300 0.034 0.000 1.066 94 M CA 1.533 56.882 55.300 0.081 0.000 1.123 94 M CB -0.191 32.436 32.600 0.044 0.000 1.388 94 M HN 0.268 nan 8.290 nan 0.000 0.425 95 M N -1.409 118.155 119.600 -0.060 0.000 2.134 95 M HA -0.121 4.358 4.480 -0.002 0.000 0.262 95 M C 1.988 178.227 176.300 -0.101 0.000 1.076 95 M CA 1.554 56.805 55.300 -0.081 0.000 1.143 95 M CB -0.572 31.873 32.600 -0.259 0.000 1.346 95 M HN 0.114 nan 8.290 nan 0.000 0.421 96 F N 1.086 120.887 119.950 -0.247 0.000 2.411 96 F HA -0.214 4.312 4.527 -0.002 0.000 0.299 96 F C 2.057 177.739 175.800 -0.196 0.000 1.077 96 F CA 1.185 59.057 58.000 -0.212 0.000 1.439 96 F CB 0.040 38.911 39.000 -0.214 0.000 1.085 96 F HN 0.087 nan 8.300 nan 0.000 0.564 97 A N -1.024 121.662 122.820 -0.224 0.000 1.973 97 A HA -0.006 4.313 4.320 -0.002 0.000 0.210 97 A C 2.141 179.571 177.584 -0.257 0.000 1.200 97 A CA 0.696 52.525 52.037 -0.347 0.000 0.707 97 A CB -0.983 17.674 19.000 -0.572 0.000 0.862 97 A HN 0.328 nan 8.150 nan 0.000 0.461 98 S N -0.672 114.913 115.700 -0.191 0.000 2.500 98 S HA -0.164 4.305 4.470 -0.002 0.000 0.239 98 S C 1.598 176.117 174.600 -0.134 0.000 0.989 98 S CA 1.244 59.319 58.200 -0.208 0.000 0.951 98 S CB -1.246 61.819 63.200 -0.226 0.000 0.759 98 S HN 0.524 nan 8.310 nan 0.000 0.523 99 C N 2.444 121.672 119.300 -0.120 0.000 2.464 99 C HA 0.110 4.569 4.460 -0.002 0.000 0.278 99 C C 1.746 176.703 174.990 -0.055 0.000 1.375 99 C CA 0.412 59.414 59.018 -0.026 0.000 1.761 99 C CB -1.595 26.111 27.740 -0.057 0.000 1.944 99 C HN 0.779 nan 8.230 nan 0.000 0.509 100 T N -0.204 114.269 114.554 -0.135 0.000 2.829 100 T HA 0.371 4.720 4.350 -0.002 0.000 0.293 100 T C -0.320 174.309 174.700 -0.118 0.000 0.970 100 T CA 0.291 62.305 62.100 -0.142 0.000 1.168 100 T CB 0.842 69.582 68.868 -0.213 0.000 0.911 100 T HN 0.396 nan 8.240 nan 0.000 0.535 101 S N 1.396 117.044 115.700 -0.086 0.000 2.611 101 S HA 0.637 5.106 4.470 -0.002 0.000 0.268 101 S C 0.957 175.538 174.600 -0.033 0.000 1.156 101 S CA -0.209 57.951 58.200 -0.067 0.000 0.817 101 S CB 0.690 63.868 63.200 -0.036 0.000 1.122 101 S HN 1.046 nan 8.310 nan 0.000 0.466 102 A N 1.614 124.424 122.820 -0.017 0.000 1.898 102 A HA 0.405 4.723 4.320 -0.002 0.000 0.214 102 A C 2.255 179.880 177.584 0.069 0.000 1.183 102 A CA 1.656 53.716 52.037 0.037 0.000 0.622 102 A CB -1.435 17.576 19.000 0.020 0.000 0.824 102 A HN 1.457 nan 8.150 nan 0.000 0.444 103 A N -0.438 122.430 122.820 0.081 0.000 1.978 103 A HA -0.035 4.283 4.320 -0.002 0.000 0.220 103 A C 2.176 179.814 177.584 0.091 0.000 1.170 103 A CA 1.845 53.967 52.037 0.141 0.000 0.636 103 A CB -0.796 18.466 19.000 0.438 0.000 0.810 103 A HN 0.364 nan 8.150 nan 0.000 0.448 104 V N -0.015 119.900 119.914 0.002 0.000 2.453 104 V HA -0.198 3.920 4.120 -0.002 0.000 0.247 104 V C 2.472 178.334 176.094 -0.387 0.000 1.048 104 V CA 1.762 63.912 62.300 -0.250 0.000 1.049 104 V CB -0.573 31.135 31.823 -0.192 0.000 0.672 104 V HN 0.591 nan 8.190 nan 0.000 0.457 105 L N -1.568 119.575 121.223 -0.132 0.000 2.141 105 L HA -0.132 4.207 4.340 -0.002 0.000 0.209 105 L C 2.289 179.170 176.870 0.018 0.000 1.094 105 L CA 1.452 56.281 54.840 -0.019 0.000 0.763 105 L CB -0.608 41.549 42.059 0.162 0.000 0.908 105 L HN 0.323 nan 8.230 nan 0.000 0.437 106 F N 0.256 120.104 119.950 -0.171 0.000 2.022 106 F HA -0.208 4.317 4.527 -0.003 0.000 0.293 106 F C 2.157 177.775 175.800 -0.303 0.000 1.142 106 F CA 1.635 59.449 58.000 -0.310 0.000 1.177 106 F CB -0.504 38.193 39.000 -0.504 0.000 0.982 106 F HN -0.077 nan 8.300 nan 0.000 0.473 107 W N 0.277 121.718 121.300 0.236 0.000 2.388 107 W HA 0.004 4.663 4.660 -0.001 0.000 0.294 107 W C 2.645 179.078 176.519 -0.143 0.000 1.212 107 W CA 0.875 58.343 57.345 0.204 0.000 1.271 107 W CB -1.254 28.384 29.460 0.297 0.000 1.126 107 W HN 0.178 nan 8.180 nan 0.000 0.535 108 G N -0.101 108.324 108.800 -0.626 0.000 2.469 108 G HA2 -0.283 3.676 3.960 -0.002 0.000 0.220 108 G HA3 -0.283 3.676 3.960 -0.002 0.000 0.220 108 G C 1.499 176.194 174.900 -0.341 0.000 1.136 108 G CA 1.523 45.949 45.100 -1.122 0.000 0.759 108 G HN 0.245 nan 8.290 nan 0.000 0.562 109 S N -0.565 115.018 115.700 -0.195 0.000 2.446 109 S HA 0.112 4.581 4.470 -0.002 0.000 0.225 109 S C 1.779 176.304 174.600 -0.125 0.000 1.016 109 S CA 0.455 58.585 58.200 -0.116 0.000 0.943 109 S CB 0.201 63.301 63.200 -0.166 0.000 0.786 109 S HN 0.277 nan 8.310 nan 0.000 0.508 110 I N 1.325 121.836 120.570 -0.098 0.000 4.312 110 I HA 0.137 4.305 4.170 -0.002 0.000 0.324 110 I C 1.926 178.106 176.117 0.105 0.000 1.298 110 I CA -0.023 61.241 61.300 -0.061 0.000 1.231 110 I CB -0.020 37.871 38.000 -0.182 0.000 1.152 110 I HN 0.238 nan 8.210 nan 0.000 0.421 111 E N 0.786 121.104 120.200 0.197 0.000 2.153 111 E HA -0.250 4.099 4.350 -0.002 0.000 0.194 111 E C 2.196 178.478 176.600 -0.529 0.000 0.988 111 E CA 1.659 58.038 56.400 -0.035 0.000 0.811 111 E CB -0.673 29.085 29.700 0.096 0.000 0.746 111 E HN 0.558 nan 8.360 nan 0.000 0.466 112 I N 0.602 121.060 120.570 -0.187 0.000 2.361 112 I HA -0.278 3.891 4.170 -0.002 0.000 0.251 112 I C 2.400 178.479 176.117 -0.063 0.000 1.133 112 I CA 1.288 62.552 61.300 -0.059 0.000 1.413 112 I CB -0.132 37.978 38.000 0.185 0.000 1.073 112 I HN 0.238 nan 8.210 nan 0.000 0.424 113 Y N 0.525 120.721 120.300 -0.174 0.000 2.181 113 Y HA -0.355 4.194 4.550 -0.002 0.000 0.288 113 Y C 2.024 177.773 175.900 -0.251 0.000 1.146 113 Y CA 1.869 59.828 58.100 -0.235 0.000 1.164 113 Y CB -0.607 37.643 38.460 -0.350 0.000 0.982 113 Y HN 0.157 nan 8.280 nan 0.000 0.515 114 Y N -0.980 119.017 120.300 -0.505 0.000 2.242 114 Y HA -0.230 4.319 4.550 -0.002 0.000 0.291 114 Y C 2.197 177.936 175.900 -0.269 0.000 1.137 114 Y CA 1.635 59.452 58.100 -0.472 0.000 1.181 114 Y CB -1.047 37.325 38.460 -0.146 0.000 0.989 114 Y HN 0.186 nan 8.280 nan 0.000 0.527 115 Y N -1.151 119.061 120.300 -0.147 0.000 2.242 115 Y HA -0.167 4.382 4.550 -0.002 0.000 0.291 115 Y C 2.285 178.114 175.900 -0.118 0.000 1.137 115 Y CA 0.376 58.434 58.100 -0.070 0.000 1.181 115 Y CB -1.011 37.425 38.460 -0.039 0.000 0.989 115 Y HN 0.103 nan 8.280 nan 0.000 0.527 116 I N -0.579 119.959 120.570 -0.054 0.000 2.500 116 I HA -0.178 3.991 4.170 -0.002 0.000 0.252 116 I C 2.335 178.171 176.117 -0.469 0.000 1.142 116 I CA 1.386 62.572 61.300 -0.189 0.000 1.451 116 I CB -0.430 37.480 38.000 -0.150 0.000 1.093 116 I HN 0.158 nan 8.210 nan 0.000 0.430 117 S N -2.341 112.997 115.700 -0.602 0.000 2.470 117 S HA 0.174 4.643 4.470 -0.002 0.000 0.222 117 S C 0.978 175.427 174.600 -0.251 0.000 1.024 117 S CA -0.009 57.758 58.200 -0.722 0.000 0.931 117 S CB 0.031 62.770 63.200 -0.769 0.000 0.791 117 S HN 0.177 nan 8.310 nan 0.000 0.513 118 S N 3.411 119.055 115.700 -0.092 0.000 2.216 118 S HA 0.480 4.948 4.470 -0.002 0.000 0.156 118 S C -2.942 171.763 174.600 0.174 0.000 1.665 118 S CA -1.009 57.239 58.200 0.081 0.000 1.262 118 S CB 1.260 64.561 63.200 0.169 0.000 1.207 118 S HN 0.318 nan 8.310 nan 0.000 0.427 119 P HA 0.324 nan 4.420 nan 0.000 0.272 119 P C -2.440 174.717 177.300 -0.238 0.000 1.230 119 P CA -1.304 61.746 63.100 -0.083 0.000 0.788 119 P CB -0.196 31.453 31.700 -0.086 0.000 0.949 120 P HA 0.183 nan 4.420 nan 0.000 0.277 120 P C -0.220 176.794 177.300 -0.478 0.000 1.271 120 P CA -0.207 62.256 63.100 -1.062 0.000 0.795 120 P CB 0.136 30.582 31.700 -2.091 0.000 1.101 121 F N -2.171 117.750 119.950 -0.047 0.000 3.034 121 F HA -0.159 4.366 4.527 -0.002 0.000 0.286 121 F C 1.418 177.223 175.800 0.009 0.000 0.804 121 F CA 1.327 59.303 58.000 -0.039 0.000 1.161 121 F CB -2.951 35.958 39.000 -0.152 0.000 1.317 121 F HN 0.687 nan 8.300 nan 0.000 0.453 122 G N -0.855 108.031 108.800 0.142 0.000 2.168 122 G HA2 -0.370 3.589 3.960 -0.002 0.000 0.257 122 G HA3 -0.370 3.589 3.960 -0.002 0.000 0.257 122 G C 0.483 175.432 174.900 0.081 0.000 0.997 122 G CA 0.396 45.562 45.100 0.109 0.000 0.708 122 G HN 0.503 nan 8.290 nan 0.000 0.520 123 M N -0.000 119.638 119.600 0.064 0.000 2.219 123 M HA 0.260 4.739 4.480 -0.002 0.000 0.307 123 M C 0.855 177.179 176.300 0.041 0.000 1.116 123 M CA 0.313 55.641 55.300 0.047 0.000 1.181 123 M CB 0.339 32.953 32.600 0.024 0.000 1.410 123 M HN 0.333 nan 8.290 nan 0.000 0.454 124 E N 0.582 120.810 120.200 0.047 0.000 2.283 124 E HA 0.266 4.615 4.350 -0.002 0.000 0.278 124 E C -0.095 176.539 176.600 0.057 0.000 1.027 124 E CA -0.585 55.850 56.400 0.060 0.000 0.843 124 E CB 0.966 30.708 29.700 0.069 0.000 1.062 124 E HN 0.787 nan 8.360 nan 0.000 0.401 125 G N 3.119 111.960 108.800 0.068 0.000 2.224 125 G HA2 -0.103 3.856 3.960 -0.002 0.000 0.239 125 G HA3 -0.103 3.856 3.960 -0.002 0.000 0.239 125 G C -0.393 174.600 174.900 0.154 0.000 1.240 125 G CA 0.406 45.525 45.100 0.032 0.000 0.896 125 G HN 0.869 nan 8.290 nan 0.000 0.496 126 Y N -0.359 119.959 120.300 0.030 0.000 4.929 126 Y HA -0.318 4.231 4.550 -0.002 0.000 0.253 126 Y C 1.969 177.887 175.900 0.031 0.000 0.946 126 Y CA 0.949 59.067 58.100 0.031 0.000 1.905 126 Y CB -2.206 36.273 38.460 0.031 0.000 1.400 126 Y HN 0.969 nan 8.280 nan 0.000 0.531 127 S N 0.368 116.147 115.700 0.131 0.000 2.589 127 S HA 0.592 5.060 4.470 -0.002 0.000 0.265 127 S C 1.573 176.220 174.600 0.078 0.000 1.342 127 S CA -0.314 57.944 58.200 0.096 0.000 1.005 127 S CB 1.730 64.973 63.200 0.071 0.000 0.909 127 S HN 0.583 nan 8.310 nan 0.000 0.555 128 A N 1.575 124.436 122.820 0.069 0.000 1.883 128 A HA 0.021 4.340 4.320 -0.002 0.000 0.217 128 A C -0.349 177.272 177.584 0.061 0.000 1.186 128 A CA 1.654 53.731 52.037 0.067 0.000 0.624 128 A CB -2.206 16.829 19.000 0.058 0.000 0.822 128 A HN 0.745 nan 8.150 nan 0.000 0.444 129 P HA -0.035 nan 4.420 nan 0.000 0.219 129 P C 1.625 178.935 177.300 0.017 0.000 1.150 129 P CA 1.645 64.764 63.100 0.032 0.000 0.814 129 P CB -0.090 31.627 31.700 0.029 0.000 0.787 130 A N 0.146 122.977 122.820 0.020 0.000 1.930 130 A HA -0.189 4.130 4.320 -0.002 0.000 0.217 130 A C 2.060 179.667 177.584 0.038 0.000 1.175 130 A CA 1.585 53.622 52.037 -0.001 0.000 0.627 130 A CB -0.941 18.046 19.000 -0.022 0.000 0.815 130 A HN 0.145 nan 8.150 nan 0.000 0.443 131 K N -0.287 120.155 120.400 0.071 0.000 2.217 131 K HA -0.074 4.245 4.320 -0.002 0.000 0.202 131 K C 1.596 178.328 176.600 0.219 0.000 1.051 131 K CA 1.334 57.699 56.287 0.129 0.000 0.952 131 K CB -0.067 32.494 32.500 0.102 0.000 0.736 131 K HN 0.598 nan 8.250 nan 0.000 0.453 132 E N 0.365 120.656 120.200 0.151 0.000 2.435 132 E HA -0.024 4.325 4.350 -0.002 0.000 0.195 132 E C 1.546 178.175 176.600 0.049 0.000 1.029 132 E CA 0.425 56.918 56.400 0.155 0.000 0.865 132 E CB 0.250 30.000 29.700 0.084 0.000 0.833 132 E HN 0.258 nan 8.360 nan 0.000 0.510 133 I N -0.261 120.311 120.570 0.004 0.000 4.057 133 I HA 0.100 4.269 4.170 -0.002 0.000 0.334 133 I C 1.865 177.976 176.117 -0.012 0.000 1.308 133 I CA 0.040 61.273 61.300 -0.112 0.000 1.125 133 I CB 0.310 38.167 38.000 -0.239 0.000 1.034 133 I HN 0.058 nan 8.210 nan 0.000 0.401 134 G N 1.603 110.483 108.800 0.134 0.000 2.480 134 G HA2 -0.311 3.648 3.960 -0.002 0.000 0.216 134 G HA3 -0.311 3.648 3.960 -0.002 0.000 0.216 134 G C 1.448 176.561 174.900 0.355 0.000 1.200 134 G CA 1.045 46.318 45.100 0.288 0.000 0.782 134 G HN 0.354 nan 8.290 nan 0.000 0.554 135 L N 1.426 122.795 121.223 0.244 0.000 2.093 135 L HA 0.223 4.562 4.340 -0.002 0.000 0.208 135 L C 3.059 179.928 176.870 -0.001 0.000 1.085 135 L CA 2.004 56.919 54.840 0.126 0.000 0.755 135 L CB -0.794 41.142 42.059 -0.204 0.000 0.904 135 L HN 0.255 nan 8.230 nan 0.000 0.435 136 A N -1.314 121.424 122.820 -0.137 0.000 1.948 136 A HA -0.300 4.019 4.320 -0.002 0.000 0.220 136 A C 2.200 179.693 177.584 -0.151 0.000 1.177 136 A CA 2.066 53.974 52.037 -0.214 0.000 0.636 136 A CB -1.145 17.688 19.000 -0.278 0.000 0.815 136 A HN 0.576 nan 8.150 nan 0.000 0.449 137 Y N 0.563 120.756 120.300 -0.179 0.000 2.373 137 Y HA -0.062 4.487 4.550 -0.002 0.000 0.293 137 Y C 2.828 178.699 175.900 -0.048 0.000 1.129 137 Y CA 1.013 58.938 58.100 -0.292 0.000 1.226 137 Y CB -0.110 37.936 38.460 -0.690 0.000 1.000 137 Y HN 0.332 nan 8.280 nan 0.000 0.549 138 S N -0.257 115.686 115.700 0.405 0.000 2.387 138 S HA -0.110 4.358 4.470 -0.002 0.000 0.226 138 S C 2.054 176.792 174.600 0.229 0.000 1.026 138 S CA 0.926 59.396 58.200 0.450 0.000 0.972 138 S CB -0.389 63.142 63.200 0.552 0.000 0.814 138 S HN 0.370 nan 8.310 nan 0.000 0.477 139 L N 0.036 121.314 121.223 0.092 0.000 2.191 139 L HA -0.083 4.256 4.340 -0.002 0.000 0.212 139 L C 2.188 179.228 176.870 0.284 0.000 1.103 139 L CA 1.163 56.007 54.840 0.007 0.000 0.769 139 L CB -0.445 41.343 42.059 -0.451 0.000 0.908 139 L HN 0.308 nan 8.230 nan 0.000 0.438 140 F N 0.489 120.407 119.950 -0.052 0.000 2.118 140 F HA -0.123 4.403 4.527 -0.002 0.000 0.293 140 F C 2.477 178.196 175.800 -0.135 0.000 1.102 140 F CA 1.489 59.404 58.000 -0.142 0.000 1.247 140 F CB -0.409 38.361 39.000 -0.384 0.000 1.017 140 F HN 0.030 nan 8.300 nan 0.000 0.475 141 H N -2.897 115.969 119.070 -0.340 0.000 2.495 141 H HA -0.085 4.470 4.556 -0.002 0.000 0.287 141 H C 0.209 174.862 175.328 -1.125 0.000 1.033 141 H CA 1.262 56.828 56.048 -0.804 0.000 1.307 141 H CB -0.122 29.201 29.762 -0.732 0.000 1.401 141 H HN 0.335 nan 8.280 nan 0.000 0.555 142 W N 0.429 121.614 121.300 -0.192 0.000 1.894 142 W HA 0.407 5.067 4.660 -0.002 0.000 0.342 142 W C 0.545 177.080 176.519 0.026 0.000 0.861 142 W CA -0.460 56.738 57.345 -0.244 0.000 2.584 142 W CB 0.470 29.406 29.460 -0.873 0.000 1.373 142 W HN 0.026 nan 8.180 nan 0.000 0.599 143 G N 0.639 109.492 108.800 0.088 0.000 3.122 143 G HA2 0.381 4.339 3.960 -0.002 0.000 0.180 143 G HA3 0.381 4.339 3.960 -0.002 0.000 0.180 143 G C -1.835 173.021 174.900 -0.072 0.000 1.279 143 G CA -0.893 44.328 45.100 0.202 0.000 0.987 143 G HN -0.329 nan 8.290 nan 0.000 0.589 144 P HA -0.013 nan 4.420 nan 0.000 0.221 144 P C 2.041 179.140 177.300 -0.335 0.000 1.150 144 P CA 0.427 63.391 63.100 -0.225 0.000 0.800 144 P CB 0.207 31.741 31.700 -0.277 0.000 0.787 145 L N 0.116 121.069 121.223 -0.451 0.000 1.988 145 L HA -0.019 4.320 4.340 -0.002 0.000 0.207 145 L C -0.719 175.678 176.870 -0.790 0.000 1.071 145 L CA 2.480 56.889 54.840 -0.719 0.000 0.744 145 L CB -1.815 39.741 42.059 -0.838 0.000 0.893 145 L HN 0.002 nan 8.230 nan 0.000 0.433 146 P HA -0.185 nan 4.420 nan 0.000 0.215 146 P C 1.083 177.571 177.300 -1.354 0.000 1.153 146 P CA 1.752 63.825 63.100 -1.711 0.000 0.853 146 P CB -0.278 29.746 31.700 -2.793 0.000 0.788 147 W N 0.241 121.076 121.300 -0.776 0.000 2.342 147 W HA -0.087 4.572 4.660 -0.002 0.000 0.297 147 W C 2.584 178.990 176.519 -0.190 0.000 1.213 147 W CA 0.760 57.922 57.345 -0.305 0.000 1.251 147 W CB -0.921 28.465 29.460 -0.124 0.000 1.136 147 W HN -0.086 nan 8.180 nan 0.000 0.526 148 A N -0.032 122.727 122.820 -0.102 0.000 2.067 148 A HA -0.189 4.129 4.320 -0.002 0.000 0.219 148 A C 1.852 179.531 177.584 0.159 0.000 1.158 148 A CA 1.945 53.899 52.037 -0.140 0.000 0.661 148 A CB -1.345 17.323 19.000 -0.554 0.000 0.801 148 A HN 0.314 nan 8.150 nan 0.000 0.452 149 T N -4.719 109.864 114.554 0.049 0.000 3.118 149 T HA -0.017 4.332 4.350 -0.002 0.000 0.260 149 T C 1.289 176.268 174.700 0.466 0.000 1.139 149 T CA 0.726 62.929 62.100 0.172 0.000 1.085 149 T CB -0.435 68.408 68.868 -0.041 0.000 0.934 149 T HN 0.387 nan 8.240 nan 0.000 0.518 150 Y N 1.155 121.643 120.300 0.313 0.000 2.482 150 Y HA 0.440 4.989 4.550 -0.002 0.000 0.270 150 Y C 2.640 178.765 175.900 0.375 0.000 1.152 150 Y CA -1.320 57.019 58.100 0.397 0.000 1.292 150 Y CB -0.256 38.520 38.460 0.526 0.000 1.070 150 Y HN 0.256 nan 8.280 nan 0.000 0.528 151 S N -0.161 115.854 115.700 0.525 0.000 2.382 151 S HA -0.172 4.297 4.470 -0.002 0.000 0.228 151 S C 1.968 176.755 174.600 0.312 0.000 1.027 151 S CA 0.980 59.426 58.200 0.410 0.000 0.991 151 S CB -0.535 62.964 63.200 0.497 0.000 0.823 151 S HN 0.465 nan 8.310 nan 0.000 0.469 152 F N 1.295 121.393 119.950 0.247 0.000 2.134 152 F HA -0.070 4.456 4.527 -0.002 0.000 0.299 152 F C 1.933 177.756 175.800 0.038 0.000 1.097 152 F CA 0.884 58.984 58.000 0.165 0.000 1.264 152 F CB -0.011 39.100 39.000 0.185 0.000 1.001 152 F HN 0.141 nan 8.300 nan 0.000 0.479 153 L N -1.320 120.104 121.223 0.334 0.000 2.131 153 L HA -0.172 4.167 4.340 -0.002 0.000 0.206 153 L C 2.391 179.403 176.870 0.237 0.000 1.087 153 L CA 0.871 55.837 54.840 0.211 0.000 0.767 153 L CB -0.543 41.678 42.059 0.271 0.000 0.917 153 L HN -0.012 nan 8.230 nan 0.000 0.441 154 S N -0.587 115.274 115.700 0.268 0.000 2.383 154 S HA -0.133 4.336 4.470 -0.002 0.000 0.227 154 S C 1.988 176.665 174.600 0.127 0.000 1.026 154 S CA 1.031 59.386 58.200 0.258 0.000 0.981 154 S CB -0.132 63.243 63.200 0.292 0.000 0.818 154 S HN 0.151 nan 8.310 nan 0.000 0.472 155 V N 1.925 121.849 119.914 0.016 0.000 2.379 155 V HA -0.118 4.001 4.120 -0.002 0.000 0.245 155 V C 2.656 178.430 176.094 -0.532 0.000 1.044 155 V CA 1.483 63.696 62.300 -0.145 0.000 1.036 155 V CB -1.176 30.568 31.823 -0.131 0.000 0.664 155 V HN 0.520 nan 8.190 nan 0.000 0.453 156 A N -0.187 122.155 122.820 -0.796 0.000 1.883 156 A HA -0.227 4.092 4.320 -0.002 0.000 0.217 156 A C 2.016 179.085 177.584 -0.859 0.000 1.186 156 A CA 2.069 53.375 52.037 -1.218 0.000 0.624 156 A CB -0.769 17.768 19.000 -0.772 0.000 0.822 156 A HN 0.474 nan 8.150 nan 0.000 0.444 157 F N -0.134 119.586 119.950 -0.383 0.000 2.259 157 F HA 0.032 4.558 4.527 -0.002 0.000 0.298 157 F C 2.688 177.993 175.800 -0.824 0.000 1.088 157 F CA 0.821 58.488 58.000 -0.554 0.000 1.358 157 F CB -0.353 38.368 39.000 -0.464 0.000 1.040 157 F HN 0.254 nan 8.300 nan 0.000 0.505 158 A N -1.391 121.312 122.820 -0.194 0.000 2.067 158 A HA -0.176 4.143 4.320 -0.002 0.000 0.217 158 A C 1.970 179.527 177.584 -0.045 0.000 1.156 158 A CA 0.928 52.977 52.037 0.019 0.000 0.683 158 A CB -1.179 18.004 19.000 0.305 0.000 0.808 158 A HN 0.518 nan 8.150 nan 0.000 0.455 159 Y N -0.601 119.457 120.300 -0.404 0.000 2.184 159 Y HA -0.121 4.427 4.550 -0.002 0.000 0.290 159 Y C 1.787 177.403 175.900 -0.473 0.000 1.129 159 Y CA 1.668 59.446 58.100 -0.537 0.000 1.144 159 Y CB -0.313 37.625 38.460 -0.871 0.000 0.995 159 Y HN 0.235 nan 8.280 nan 0.000 0.513 160 F N -0.319 119.431 119.950 -0.333 0.000 2.102 160 F HA -0.175 4.351 4.527 -0.002 0.000 0.298 160 F C 1.988 177.602 175.800 -0.311 0.000 1.105 160 F CA 1.277 59.054 58.000 -0.372 0.000 1.239 160 F CB -1.367 37.435 39.000 -0.331 0.000 0.991 160 F HN 0.066 nan 8.300 nan 0.000 0.474 161 F N -1.231 118.603 119.950 -0.193 0.000 2.113 161 F HA -0.121 4.405 4.527 -0.002 0.000 0.297 161 F C 1.987 177.500 175.800 -0.479 0.000 1.103 161 F CA 0.955 58.641 58.000 -0.524 0.000 1.248 161 F CB -1.430 36.859 39.000 -1.184 0.000 0.999 161 F HN -0.103 nan 8.300 nan 0.000 0.475 162 F N -2.112 117.917 119.950 0.131 0.000 2.727 162 F HA 0.217 4.742 4.527 -0.002 0.000 0.302 162 F C 1.814 177.582 175.800 -0.054 0.000 1.107 162 F CA -0.102 57.931 58.000 0.056 0.000 1.277 162 F CB -0.718 38.337 39.000 0.091 0.000 1.079 162 F HN -0.290 nan 8.300 nan 0.000 0.594 163 V N -0.576 119.282 119.914 -0.093 0.000 2.788 163 V HA 0.088 4.207 4.120 -0.002 0.000 0.241 163 V C 2.137 178.026 176.094 -0.342 0.000 1.083 163 V CA 0.752 62.901 62.300 -0.251 0.000 1.103 163 V CB -0.103 31.387 31.823 -0.555 0.000 0.800 163 V HN 0.045 nan 8.190 nan 0.000 0.476 164 R N 0.455 120.681 120.500 -0.456 0.000 2.280 164 R HA 0.152 4.491 4.340 -0.002 0.000 0.195 164 R C 0.278 176.495 176.300 -0.140 0.000 0.935 164 R CA -0.076 55.825 56.100 -0.332 0.000 1.033 164 R CB -0.181 29.920 30.300 -0.332 0.000 0.964 164 R HN 0.446 nan 8.270 nan 0.000 0.489 165 K N 1.242 121.599 120.400 -0.072 0.000 3.278 165 K HA -0.177 4.142 4.320 -0.002 0.000 0.270 165 K C -0.222 176.386 176.600 0.013 0.000 0.955 165 K CA 0.990 57.281 56.287 0.007 0.000 0.723 165 K CB -1.972 30.535 32.500 0.013 0.000 1.382 165 K HN 0.341 nan 8.250 nan 0.000 0.461 166 M N 0.019 119.643 119.600 0.040 0.000 2.404 166 M HA 0.286 4.765 4.480 -0.002 0.000 0.338 166 M C 0.365 176.734 176.300 0.115 0.000 1.150 166 M CA -0.544 54.786 55.300 0.050 0.000 1.016 166 M CB 1.852 34.461 32.600 0.015 0.000 1.672 166 M HN 0.094 nan 8.290 nan 0.000 0.448 167 E N 2.291 122.533 120.200 0.071 0.000 2.180 167 E HA 0.369 4.717 4.350 -0.002 0.000 0.283 167 E C -1.573 175.091 176.600 0.108 0.000 1.061 167 E CA -0.371 56.073 56.400 0.073 0.000 0.861 167 E CB 0.887 30.605 29.700 0.029 0.000 1.056 167 E HN 0.523 nan 8.360 nan 0.000 0.407 168 V N 7.025 127.071 119.914 0.219 0.000 2.448 168 V HA 0.263 4.382 4.120 -0.002 0.000 0.295 168 V C 0.589 176.795 176.094 0.185 0.000 1.025 168 V CA -0.292 62.147 62.300 0.231 0.000 0.859 168 V CB 1.492 33.553 31.823 0.396 0.000 0.988 168 V HN 0.764 nan 8.190 nan 0.000 0.431 169 I N 2.780 123.409 120.570 0.098 0.000 3.739 169 I HA 0.305 4.474 4.170 -0.002 0.000 0.272 169 I C 0.876 177.017 176.117 0.041 0.000 1.167 169 I CA -0.124 61.212 61.300 0.060 0.000 1.386 169 I CB 0.286 38.303 38.000 0.028 0.000 1.490 169 I HN 0.419 nan 8.210 nan 0.000 0.452 170 R N 1.826 122.341 120.500 0.025 0.000 2.428 170 R HA 0.275 4.613 4.340 -0.002 0.000 0.294 170 R C -1.837 174.436 176.300 -0.045 0.000 1.000 170 R CA -1.650 54.441 56.100 -0.016 0.000 0.960 170 R CB 0.772 31.075 30.300 0.005 0.000 1.076 170 R HN -0.153 nan 8.270 nan 0.000 0.475 171 P HA -0.260 nan 4.420 nan 0.000 0.218 171 P C 1.365 178.623 177.300 -0.070 0.000 1.154 171 P CA 1.471 64.488 63.100 -0.138 0.000 0.872 171 P CB 0.173 31.686 31.700 -0.312 0.000 0.790 172 S N -1.028 114.641 115.700 -0.052 0.000 2.387 172 S HA -0.168 4.301 4.470 -0.002 0.000 0.230 172 S C 1.870 176.465 174.600 -0.008 0.000 1.035 172 S CA 1.778 59.977 58.200 -0.002 0.000 1.014 172 S CB -0.972 62.238 63.200 0.017 0.000 0.836 172 S HN 0.131 nan 8.310 nan 0.000 0.466 173 S N 0.372 116.050 115.700 -0.037 0.000 2.547 173 S HA -0.047 4.422 4.470 -0.002 0.000 0.235 173 S C 1.758 176.244 174.600 -0.191 0.000 0.980 173 S CA 1.231 59.390 58.200 -0.069 0.000 0.941 173 S CB -0.286 62.891 63.200 -0.039 0.000 0.763 173 S HN 0.893 nan 8.310 nan 0.000 0.532 174 T N -1.569 112.826 114.554 -0.264 0.000 3.040 174 T HA 0.260 4.609 4.350 -0.002 0.000 0.250 174 T C 1.126 175.630 174.700 -0.326 0.000 1.058 174 T CA -0.091 61.657 62.100 -0.587 0.000 0.988 174 T CB -0.121 68.272 68.868 -0.791 0.000 0.993 174 T HN 0.111 nan 8.240 nan 0.000 0.519 175 L N 1.704 122.857 121.223 -0.116 0.000 2.599 175 L HA 0.332 4.670 4.340 -0.002 0.000 0.230 175 L C 2.325 179.199 176.870 0.007 0.000 1.141 175 L CA 0.155 54.996 54.840 0.001 0.000 0.877 175 L CB -0.692 41.450 42.059 0.138 0.000 1.009 175 L HN 0.167 nan 8.230 nan 0.000 0.447 176 V N 0.861 120.761 119.914 -0.022 0.000 2.332 176 V HA -0.207 3.912 4.120 -0.002 0.000 0.248 176 V C -0.102 176.000 176.094 0.014 0.000 1.055 176 V CA 1.844 64.144 62.300 -0.001 0.000 1.038 176 V CB -1.585 30.230 31.823 -0.013 0.000 0.651 176 V HN 0.341 nan 8.190 nan 0.000 0.450 177 P HA -0.101 nan 4.420 nan 0.000 0.222 177 P C 1.661 178.980 177.300 0.031 0.000 1.147 177 P CA 1.050 64.185 63.100 0.059 0.000 0.790 177 P CB 0.062 31.830 31.700 0.114 0.000 0.780 178 L N -0.549 120.682 121.223 0.014 0.000 2.221 178 L HA 0.029 4.367 4.340 -0.002 0.000 0.202 178 L C 1.746 178.581 176.870 -0.058 0.000 1.074 178 L CA 1.324 56.157 54.840 -0.012 0.000 0.795 178 L CB -0.348 41.711 42.059 0.000 0.000 0.960 178 L HN -0.103 nan 8.230 nan 0.000 0.458 179 V N -3.613 116.252 119.914 -0.082 0.000 3.502 179 V HA 0.725 4.843 4.120 -0.002 0.000 0.288 179 V C 0.757 176.842 176.094 -0.014 0.000 1.461 179 V CA 0.149 62.358 62.300 -0.151 0.000 1.029 179 V CB -0.558 30.963 31.823 -0.504 0.000 0.843 179 V HN 0.536 nan 8.190 nan 0.000 0.438 180 G N 1.176 109.975 108.800 -0.002 0.000 2.699 180 G HA2 -0.143 3.816 3.960 -0.002 0.000 0.686 180 G HA3 -0.143 3.816 3.960 -0.002 0.000 0.686 180 G C -0.031 174.878 174.900 0.016 0.000 1.301 180 G CA 0.100 45.205 45.100 0.008 0.000 0.816 180 G HN 0.397 nan 8.290 nan 0.000 0.595 181 E N 0.619 120.821 120.200 0.004 0.000 2.106 181 E HA -0.164 4.185 4.350 -0.002 0.000 0.192 181 E C 2.465 179.068 176.600 0.005 0.000 0.984 181 E CA 1.556 57.962 56.400 0.010 0.000 0.806 181 E CB -0.121 29.580 29.700 0.001 0.000 0.750 181 E HN 0.741 nan 8.360 nan 0.000 0.458 182 K N 0.901 121.276 120.400 -0.042 0.000 2.001 182 K HA -0.227 4.091 4.320 -0.002 0.000 0.214 182 K C 1.953 178.520 176.600 -0.054 0.000 1.050 182 K CA 1.954 58.188 56.287 -0.089 0.000 0.934 182 K CB -0.668 31.717 32.500 -0.193 0.000 0.718 182 K HN 0.197 nan 8.250 nan 0.000 0.443 183 H N 0.245 119.307 119.070 -0.014 0.000 2.353 183 H HA -0.066 4.489 4.556 -0.002 0.000 0.300 183 H C 2.181 177.607 175.328 0.163 0.000 1.090 183 H CA 1.455 57.508 56.048 0.008 0.000 1.327 183 H CB 0.007 29.619 29.762 -0.250 0.000 1.383 183 H HN -0.029 nan 8.280 nan 0.000 0.508 184 V N 1.155 121.214 119.914 0.241 0.000 2.255 184 V HA -0.299 3.820 4.120 -0.002 0.000 0.247 184 V C 1.813 178.009 176.094 0.171 0.000 1.051 184 V CA 2.027 64.465 62.300 0.230 0.000 1.018 184 V CB -0.301 31.596 31.823 0.123 0.000 0.641 184 V HN 0.585 nan 8.190 nan 0.000 0.445 185 N N 0.018 118.785 118.700 0.111 0.000 2.457 185 N HA 0.001 4.740 4.740 -0.002 0.000 0.180 185 N C 1.044 176.608 175.510 0.090 0.000 1.050 185 N CA 0.940 54.039 53.050 0.082 0.000 0.906 185 N CB 0.094 38.610 38.487 0.049 0.000 0.968 185 N HN 0.551 nan 8.380 nan 0.000 0.445 186 G N 0.766 109.636 108.800 0.115 0.000 2.783 186 G HA2 0.193 4.151 3.960 -0.002 0.000 0.182 186 G HA3 0.193 4.151 3.960 -0.002 0.000 0.182 186 G C 1.031 176.022 174.900 0.152 0.000 1.516 186 G CA -0.344 44.825 45.100 0.115 0.000 1.079 186 G HN 0.074 nan 8.290 nan 0.000 0.573 187 L N -0.991 120.334 121.223 0.170 0.000 2.044 187 L HA 0.160 4.498 4.340 -0.002 0.000 0.205 187 L C 2.506 179.486 176.870 0.183 0.000 1.075 187 L CA 1.536 56.468 54.840 0.154 0.000 0.747 187 L CB -0.819 41.322 42.059 0.138 0.000 0.903 187 L HN 0.496 nan 8.230 nan 0.000 0.435 188 F N 0.523 120.544 119.950 0.117 0.000 2.063 188 F HA -0.241 4.284 4.527 -0.002 0.000 0.298 188 F C 2.127 177.972 175.800 0.076 0.000 1.109 188 F CA 2.218 60.268 58.000 0.083 0.000 1.212 188 F CB -0.949 38.088 39.000 0.062 0.000 0.973 188 F HN 0.130 nan 8.300 nan 0.000 0.480 189 G N -1.596 107.342 108.800 0.230 0.000 2.471 189 G HA2 -0.150 3.809 3.960 -0.002 0.000 0.219 189 G HA3 -0.150 3.809 3.960 -0.002 0.000 0.219 189 G C 1.492 176.391 174.900 -0.001 0.000 1.125 189 G CA 1.192 46.343 45.100 0.085 0.000 0.775 189 G HN 0.449 nan 8.290 nan 0.000 0.548 190 T N 0.527 115.099 114.554 0.030 0.000 2.894 190 T HA -0.018 4.331 4.350 -0.002 0.000 0.258 190 T C 2.613 177.316 174.700 0.004 0.000 1.043 190 T CA 0.890 63.009 62.100 0.032 0.000 1.141 190 T CB -0.073 68.830 68.868 0.058 0.000 0.873 190 T HN 0.067 nan 8.240 nan 0.000 0.449 191 V N 1.566 121.471 119.914 -0.014 0.000 2.261 191 V HA -0.159 3.960 4.120 -0.002 0.000 0.246 191 V C 2.673 178.806 176.094 0.065 0.000 1.047 191 V CA 1.336 63.645 62.300 0.015 0.000 1.015 191 V CB -0.976 30.875 31.823 0.046 0.000 0.642 191 V HN 0.270 nan 8.190 nan 0.000 0.446 192 V N 0.481 120.335 119.914 -0.101 0.000 2.250 192 V HA -0.340 3.779 4.120 -0.002 0.000 0.250 192 V C 2.318 178.448 176.094 0.060 0.000 1.060 192 V CA 2.543 64.789 62.300 -0.091 0.000 1.030 192 V CB -0.761 30.860 31.823 -0.338 0.000 0.643 192 V HN 0.559 nan 8.190 nan 0.000 0.445 193 D N -0.453 119.962 120.400 0.026 0.000 2.219 193 D HA -0.104 4.535 4.640 -0.002 0.000 0.205 193 D C 2.083 178.449 176.300 0.111 0.000 0.970 193 D CA 0.818 54.865 54.000 0.078 0.000 0.851 193 D CB -0.332 40.493 40.800 0.042 0.000 0.943 193 D HN 0.440 nan 8.370 nan 0.000 0.488 194 N N -0.339 118.396 118.700 0.058 0.000 2.207 194 N HA -0.071 4.668 4.740 -0.002 0.000 0.182 194 N C 1.701 177.198 175.510 -0.022 0.000 1.020 194 N CA 0.347 53.391 53.050 -0.010 0.000 0.858 194 N CB -0.258 38.182 38.487 -0.078 0.000 0.991 194 N HN 0.139 nan 8.380 nan 0.000 0.427 195 F N 0.944 120.902 119.950 0.013 0.000 2.126 195 F HA -0.182 4.344 4.527 -0.002 0.000 0.299 195 F C 2.420 178.241 175.800 0.035 0.000 1.096 195 F CA 1.042 59.052 58.000 0.016 0.000 1.255 195 F CB -0.801 38.208 39.000 0.015 0.000 0.997 195 F HN 0.087 nan 8.300 nan 0.000 0.479 196 Y N 0.093 120.479 120.300 0.144 0.000 2.128 196 Y HA -0.255 4.293 4.550 -0.002 0.000 0.284 196 Y C 2.233 178.124 175.900 -0.014 0.000 1.154 196 Y CA 1.655 59.787 58.100 0.054 0.000 1.149 196 Y CB -0.431 38.047 38.460 0.030 0.000 0.976 196 Y HN -0.022 nan 8.280 nan 0.000 0.505 197 L N -1.109 120.085 121.223 -0.048 0.000 2.083 197 L HA -0.232 4.107 4.340 -0.002 0.000 0.209 197 L C 2.314 179.040 176.870 -0.240 0.000 1.083 197 L CA 0.997 55.711 54.840 -0.210 0.000 0.752 197 L CB -0.546 41.421 42.059 -0.152 0.000 0.899 197 L HN 0.155 nan 8.230 nan 0.000 0.433 198 V N -0.138 119.691 119.914 -0.141 0.000 2.295 198 V HA -0.318 3.801 4.120 -0.002 0.000 0.246 198 V C 2.731 178.754 176.094 -0.118 0.000 1.049 198 V CA 1.851 64.085 62.300 -0.110 0.000 1.024 198 V CB -0.955 30.825 31.823 -0.071 0.000 0.648 198 V HN 0.501 nan 8.190 nan 0.000 0.447 199 A N -0.512 122.241 122.820 -0.112 0.000 1.908 199 A HA -0.196 4.122 4.320 -0.002 0.000 0.218 199 A C 2.274 179.698 177.584 -0.266 0.000 1.181 199 A CA 1.921 53.872 52.037 -0.143 0.000 0.627 199 A CB -0.608 18.325 19.000 -0.111 0.000 0.818 199 A HN 0.472 nan 8.150 nan 0.000 0.445 200 L N -0.760 120.223 121.223 -0.401 0.000 2.083 200 L HA -0.180 4.159 4.340 -0.002 0.000 0.209 200 L C 2.497 179.203 176.870 -0.272 0.000 1.083 200 L CA 1.386 55.974 54.840 -0.420 0.000 0.752 200 L CB -0.403 41.327 42.059 -0.549 0.000 0.899 200 L HN 0.438 nan 8.230 nan 0.000 0.433 201 I N -0.531 119.897 120.570 -0.237 0.000 2.202 201 I HA -0.332 3.837 4.170 -0.002 0.000 0.242 201 I C 2.432 178.493 176.117 -0.094 0.000 1.091 201 I CA 1.118 62.321 61.300 -0.162 0.000 1.368 201 I CB -0.156 37.756 38.000 -0.147 0.000 1.058 201 I HN 0.203 nan 8.210 nan 0.000 0.410 202 L N 0.519 121.689 121.223 -0.088 0.000 2.012 202 L HA -0.250 4.089 4.340 -0.002 0.000 0.210 202 L C 2.864 179.701 176.870 -0.055 0.000 1.073 202 L CA 1.531 56.342 54.840 -0.048 0.000 0.748 202 L CB -0.773 41.264 42.059 -0.036 0.000 0.891 202 L HN 0.266 nan 8.230 nan 0.000 0.431 203 A N -0.313 122.429 122.820 -0.130 0.000 1.908 203 A HA -0.247 4.071 4.320 -0.002 0.000 0.218 203 A C 2.277 179.834 177.584 -0.045 0.000 1.181 203 A CA 1.921 53.855 52.037 -0.171 0.000 0.627 203 A CB -0.488 18.232 19.000 -0.468 0.000 0.818 203 A HN 0.366 nan 8.150 nan 0.000 0.445 204 M N -0.670 118.902 119.600 -0.046 0.000 2.132 204 M HA -0.070 4.409 4.480 -0.002 0.000 0.263 204 M C 2.319 178.620 176.300 0.003 0.000 1.065 204 M CA 1.343 56.637 55.300 -0.010 0.000 1.122 204 M CB -0.582 31.995 32.600 -0.039 0.000 1.365 204 M HN 0.499 nan 8.290 nan 0.000 0.411 205 G N 0.314 109.118 108.800 0.007 0.000 2.440 205 G HA2 -0.273 3.686 3.960 -0.002 0.000 0.218 205 G HA3 -0.273 3.686 3.960 -0.002 0.000 0.218 205 G C 1.590 176.516 174.900 0.043 0.000 1.154 205 G CA 1.734 46.851 45.100 0.029 0.000 0.767 205 G HN 0.542 nan 8.290 nan 0.000 0.552 206 T N -1.624 112.965 114.554 0.058 0.000 2.788 206 T HA -0.082 4.267 4.350 -0.002 0.000 0.268 206 T C 2.466 177.230 174.700 0.107 0.000 1.044 206 T CA 1.883 64.045 62.100 0.104 0.000 1.139 206 T CB -0.425 68.548 68.868 0.175 0.000 0.867 206 T HN 0.134 nan 8.240 nan 0.000 0.454 207 S N 1.136 116.890 115.700 0.089 0.000 2.359 207 S HA 0.066 4.535 4.470 -0.002 0.000 0.224 207 S C 1.941 176.538 174.600 -0.005 0.000 1.035 207 S CA 1.148 59.383 58.200 0.059 0.000 1.018 207 S CB -0.602 62.600 63.200 0.004 0.000 0.876 207 S HN 0.426 nan 8.310 nan 0.000 0.448 208 L N 0.691 121.906 121.223 -0.014 0.000 1.989 208 L HA -0.129 4.210 4.340 -0.002 0.000 0.211 208 L C 2.732 179.629 176.870 0.045 0.000 1.071 208 L CA 1.514 56.351 54.840 -0.006 0.000 0.749 208 L CB -1.252 40.827 42.059 0.034 0.000 0.890 208 L HN 0.454 nan 8.230 nan 0.000 0.431 209 G N -0.390 108.436 108.800 0.044 0.000 2.485 209 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.221 209 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.221 209 G C 1.554 176.443 174.900 -0.019 0.000 1.115 209 G CA 0.717 45.839 45.100 0.038 0.000 0.751 209 G HN 0.305 nan 8.290 nan 0.000 0.567 210 L N -0.378 120.797 121.223 -0.080 0.000 2.316 210 L HA 0.267 4.606 4.340 -0.002 0.000 0.207 210 L C 3.187 180.016 176.870 -0.067 0.000 1.070 210 L CA 0.681 55.362 54.840 -0.264 0.000 0.820 210 L CB -0.139 41.651 42.059 -0.448 0.000 0.992 210 L HN 0.228 nan 8.230 nan 0.000 0.466 211 A N -0.162 122.659 122.820 0.001 0.000 1.929 211 A HA -0.116 4.202 4.320 -0.002 0.000 0.216 211 A C 2.312 180.018 177.584 0.204 0.000 1.176 211 A CA 1.926 54.001 52.037 0.064 0.000 0.628 211 A CB -0.753 18.200 19.000 -0.077 0.000 0.816 211 A HN 0.313 nan 8.150 nan 0.000 0.444 212 T N 1.058 115.761 114.554 0.248 0.000 2.622 212 T HA -0.095 4.254 4.350 -0.002 0.000 0.266 212 T C -0.260 174.547 174.700 0.178 0.000 1.047 212 T CA 1.938 64.248 62.100 0.349 0.000 1.159 212 T CB -1.332 67.725 68.868 0.314 0.000 0.863 212 T HN 0.397 nan 8.240 nan 0.000 0.422 213 P HA 0.035 nan 4.420 nan 0.000 0.219 213 P C 1.473 178.770 177.300 -0.005 0.000 1.146 213 P CA 0.786 63.910 63.100 0.040 0.000 0.808 213 P CB -0.250 31.558 31.700 0.179 0.000 0.779 214 L N -1.348 119.940 121.223 0.109 0.000 2.056 214 L HA -0.120 4.219 4.340 -0.002 0.000 0.207 214 L C 2.380 179.344 176.870 0.157 0.000 1.078 214 L CA 1.247 56.154 54.840 0.111 0.000 0.749 214 L CB -0.961 41.232 42.059 0.223 0.000 0.901 214 L HN -0.134 nan 8.230 nan 0.000 0.433 215 V N -0.067 119.991 119.914 0.241 0.000 2.295 215 V HA -0.280 3.839 4.120 -0.002 0.000 0.246 215 V C 2.762 178.962 176.094 0.177 0.000 1.049 215 V CA 2.375 64.886 62.300 0.350 0.000 1.024 215 V CB -0.908 31.190 31.823 0.458 0.000 0.648 215 V HN 0.681 nan 8.190 nan 0.000 0.447 216 T N -2.361 112.181 114.554 -0.021 0.000 2.867 216 T HA -0.156 4.193 4.350 -0.002 0.000 0.268 216 T C 1.681 176.227 174.700 -0.256 0.000 1.057 216 T CA 1.205 63.190 62.100 -0.191 0.000 1.136 216 T CB -0.264 68.367 68.868 -0.396 0.000 0.874 216 T HN 0.445 nan 8.240 nan 0.000 0.466 217 E N 0.571 120.614 120.200 -0.262 0.000 2.106 217 E HA -0.036 4.313 4.350 -0.002 0.000 0.192 217 E C 2.519 179.061 176.600 -0.098 0.000 0.984 217 E CA 0.915 57.220 56.400 -0.159 0.000 0.806 217 E CB -0.706 28.903 29.700 -0.152 0.000 0.750 217 E HN 0.593 nan 8.360 nan 0.000 0.458 218 C N 0.661 119.928 119.300 -0.055 0.000 2.425 218 C HA -0.062 4.397 4.460 -0.002 0.000 0.277 218 C C 2.765 177.566 174.990 -0.314 0.000 1.280 218 C CA 0.199 59.164 59.018 -0.088 0.000 1.744 218 C CB -0.951 26.860 27.740 0.119 0.000 1.989 218 C HN 0.350 nan 8.230 nan 0.000 0.491 219 I N 0.429 120.847 120.570 -0.255 0.000 2.202 219 I HA -0.253 3.915 4.170 -0.002 0.000 0.242 219 I C 2.768 178.818 176.117 -0.111 0.000 1.091 219 I CA 1.640 62.820 61.300 -0.200 0.000 1.368 219 I CB -0.627 37.368 38.000 -0.009 0.000 1.058 219 I HN 0.452 nan 8.210 nan 0.000 0.410 220 Q N 0.460 120.214 119.800 -0.077 0.000 2.061 220 Q HA -0.306 4.033 4.340 -0.002 0.000 0.204 220 Q C 2.343 178.278 176.000 -0.108 0.000 0.984 220 Q CA 2.110 57.880 55.803 -0.055 0.000 0.846 220 Q CB -0.377 28.348 28.738 -0.021 0.000 0.902 220 Q HN 0.568 nan 8.270 nan 0.000 0.421 221 Y N 0.333 120.487 120.300 -0.244 0.000 2.200 221 Y HA -0.166 4.383 4.550 -0.002 0.000 0.290 221 Y C 1.736 177.424 175.900 -0.354 0.000 1.137 221 Y CA 1.620 59.565 58.100 -0.259 0.000 1.163 221 Y CB 0.059 38.378 38.460 -0.236 0.000 0.988 221 Y HN 0.124 nan 8.280 nan 0.000 0.518 222 L N -1.834 119.127 121.223 -0.436 0.000 2.162 222 L HA -0.077 4.262 4.340 -0.002 0.000 0.205 222 L C 1.171 177.554 176.870 -0.811 0.000 1.086 222 L CA 0.817 55.160 54.840 -0.829 0.000 0.778 222 L CB -0.177 40.915 42.059 -1.611 0.000 0.928 222 L HN 0.188 nan 8.230 nan 0.000 0.446 223 F N -1.443 118.365 119.950 -0.237 0.000 2.724 223 F HA 0.371 4.897 4.527 -0.001 0.000 0.306 223 F C 1.670 177.392 175.800 -0.130 0.000 1.100 223 F CA 0.323 58.223 58.000 -0.167 0.000 1.255 223 F CB 0.070 38.964 39.000 -0.177 0.000 1.072 223 F HN 0.040 nan 8.300 nan 0.000 0.589 224 G N 1.237 110.024 108.800 -0.022 0.000 2.176 224 G HA2 -0.292 3.667 3.960 -0.002 0.000 0.253 224 G HA3 -0.292 3.667 3.960 -0.002 0.000 0.253 224 G C 0.234 175.132 174.900 -0.003 0.000 0.979 224 G CA -0.122 44.954 45.100 -0.040 0.000 0.641 224 G HN 0.277 nan 8.290 nan 0.000 0.530 225 I N 2.485 123.074 120.570 0.033 0.000 2.436 225 I HA 0.228 4.397 4.170 -0.002 0.000 0.289 225 I C -1.758 174.377 176.117 0.029 0.000 1.083 225 I CA -1.901 59.417 61.300 0.029 0.000 1.372 225 I CB 0.848 38.868 38.000 0.034 0.000 1.408 225 I HN -0.119 nan 8.210 nan 0.000 0.516 226 P HA -0.075 nan 4.420 nan 0.000 0.265 226 P C -0.470 176.892 177.300 0.104 0.000 1.193 226 P CA 0.111 63.239 63.100 0.047 0.000 0.765 226 P CB 0.224 31.943 31.700 0.031 0.000 0.823 227 H N 2.893 121.961 119.070 -0.004 0.000 2.944 227 H HA 0.247 4.801 4.556 -0.002 0.000 0.278 227 H C -0.155 175.184 175.328 0.018 0.000 1.083 227 H CA -0.262 55.791 56.048 0.007 0.000 1.479 227 H CB 0.244 30.008 29.762 0.003 0.000 1.486 227 H HN 0.401 nan 8.280 nan 0.000 0.493 228 T N 1.675 116.325 114.554 0.160 0.000 2.887 228 T HA 0.098 4.447 4.350 -0.002 0.000 0.292 228 T C 0.928 175.666 174.700 0.063 0.000 1.087 228 T CA -1.051 61.053 62.100 0.006 0.000 1.009 228 T CB 1.360 70.241 68.868 0.022 0.000 1.203 228 T HN 0.428 nan 8.240 nan 0.000 0.518 229 L N 0.596 121.823 121.223 0.007 0.000 2.187 229 L HA 0.011 4.350 4.340 -0.002 0.000 0.213 229 L C 2.550 179.454 176.870 0.057 0.000 1.100 229 L CA 1.807 56.671 54.840 0.040 0.000 0.765 229 L CB -1.046 41.022 42.059 0.015 0.000 0.904 229 L HN 0.823 nan 8.230 nan 0.000 0.437 230 Q N -1.456 118.371 119.800 0.045 0.000 2.137 230 Q HA -0.147 4.192 4.340 -0.002 0.000 0.198 230 Q C 2.117 178.142 176.000 0.041 0.000 0.960 230 Q CA 1.345 57.170 55.803 0.037 0.000 0.847 230 Q CB -0.230 28.523 28.738 0.025 0.000 0.915 230 Q HN 0.459 nan 8.270 nan 0.000 0.448 231 L N 1.237 122.498 121.223 0.063 0.000 2.083 231 L HA -0.204 4.135 4.340 -0.002 0.000 0.209 231 L C 1.345 178.239 176.870 0.040 0.000 1.083 231 L CA 1.869 56.742 54.840 0.054 0.000 0.752 231 L CB -0.387 41.726 42.059 0.090 0.000 0.899 231 L HN 0.143 nan 8.230 nan 0.000 0.433 232 D N -0.156 120.298 120.400 0.089 0.000 2.117 232 D HA -0.136 4.502 4.640 -0.002 0.000 0.197 232 D C 2.167 178.492 176.300 0.041 0.000 0.987 232 D CA 1.512 55.558 54.000 0.077 0.000 0.829 232 D CB -0.159 40.730 40.800 0.149 0.000 0.961 232 D HN 0.490 nan 8.370 nan 0.000 0.460 233 A N 0.884 123.731 122.820 0.045 0.000 2.015 233 A HA -0.113 4.206 4.320 -0.002 0.000 0.219 233 A C 2.164 179.752 177.584 0.007 0.000 1.163 233 A CA 0.676 52.735 52.037 0.036 0.000 0.646 233 A CB -0.332 18.691 19.000 0.038 0.000 0.806 233 A HN 0.114 nan 8.150 nan 0.000 0.448 234 I N -0.684 119.879 120.570 -0.012 0.000 2.233 234 I HA -0.150 4.019 4.170 -0.002 0.000 0.243 234 I C 2.277 178.334 176.117 -0.099 0.000 1.093 234 I CA 1.120 62.397 61.300 -0.037 0.000 1.380 234 I CB -1.080 36.901 38.000 -0.031 0.000 1.067 234 I HN 0.190 nan 8.210 nan 0.000 0.413 235 I N 0.959 121.430 120.570 -0.165 0.000 2.252 235 I HA -0.234 3.935 4.170 -0.002 0.000 0.245 235 I C 2.523 178.332 176.117 -0.513 0.000 1.102 235 I CA 1.351 62.408 61.300 -0.405 0.000 1.385 235 I CB -0.409 37.298 38.000 -0.490 0.000 1.064 235 I HN 0.074 nan 8.210 nan 0.000 0.414 236 I N -0.395 120.064 120.570 -0.186 0.000 2.264 236 I HA -0.353 3.816 4.170 -0.002 0.000 0.248 236 I C 2.451 178.621 176.117 0.089 0.000 1.111 236 I CA 1.310 62.672 61.300 0.103 0.000 1.382 236 I CB -0.324 37.773 38.000 0.162 0.000 1.060 236 I HN 0.160 nan 8.210 nan 0.000 0.418 237 S N -0.046 115.662 115.700 0.013 0.000 2.356 237 S HA -0.196 4.273 4.470 -0.002 0.000 0.223 237 S C 2.152 176.765 174.600 0.022 0.000 1.032 237 S CA 1.529 59.746 58.200 0.029 0.000 1.005 237 S CB -0.468 62.739 63.200 0.011 0.000 0.867 237 S HN 0.512 nan 8.310 nan 0.000 0.449 238 C N 0.464 119.730 119.300 -0.056 0.000 2.413 238 C HA -0.083 4.376 4.460 -0.002 0.000 0.277 238 C C 2.347 177.355 174.990 0.031 0.000 1.265 238 C CA -0.002 58.987 59.018 -0.047 0.000 1.752 238 C CB -1.514 26.155 27.740 -0.117 0.000 1.998 238 C HN 0.667 nan 8.230 nan 0.000 0.489 239 W N 1.085 122.372 121.300 -0.021 0.000 2.355 239 W HA -0.004 4.655 4.660 -0.001 0.000 0.309 239 W C 2.311 178.820 176.519 -0.017 0.000 1.206 239 W CA 0.700 58.003 57.345 -0.070 0.000 1.284 239 W CB -1.303 28.079 29.460 -0.130 0.000 1.145 239 W HN 0.334 nan 8.180 nan 0.000 0.502 240 I N 0.014 120.726 120.570 0.237 0.000 2.163 240 I HA -0.361 3.807 4.170 -0.002 0.000 0.243 240 I C 2.462 178.652 176.117 0.122 0.000 1.085 240 I CA 1.319 62.712 61.300 0.154 0.000 1.347 240 I CB -0.916 37.158 38.000 0.123 0.000 1.044 240 I HN -0.147 nan 8.210 nan 0.000 0.408 241 L N 0.003 121.288 121.223 0.104 0.000 2.017 241 L HA -0.239 4.100 4.340 -0.002 0.000 0.208 241 L C 2.601 179.523 176.870 0.088 0.000 1.073 241 L CA 1.366 56.256 54.840 0.083 0.000 0.745 241 L CB -0.574 41.521 42.059 0.060 0.000 0.894 241 L HN 0.271 nan 8.230 nan 0.000 0.432 242 L N -0.174 121.116 121.223 0.111 0.000 1.990 242 L HA -0.327 4.011 4.340 -0.002 0.000 0.213 242 L C 2.526 179.458 176.870 0.104 0.000 1.072 242 L CA 1.821 56.731 54.840 0.117 0.000 0.755 242 L CB -0.687 41.487 42.059 0.190 0.000 0.889 242 L HN 0.489 nan 8.230 nan 0.000 0.432 243 N N -0.251 118.521 118.700 0.119 0.000 2.069 243 N HA -0.218 4.520 4.740 -0.002 0.000 0.191 243 N C 1.843 177.417 175.510 0.106 0.000 1.031 243 N CA 1.444 54.555 53.050 0.102 0.000 0.852 243 N CB 0.069 38.615 38.487 0.099 0.000 1.018 243 N HN 0.346 nan 8.380 nan 0.000 0.423 244 A N 1.428 124.313 122.820 0.108 0.000 1.908 244 A HA -0.121 4.198 4.320 -0.002 0.000 0.218 244 A C 2.209 179.881 177.584 0.148 0.000 1.181 244 A CA 1.087 53.196 52.037 0.119 0.000 0.627 244 A CB -0.646 18.418 19.000 0.107 0.000 0.818 244 A HN 0.375 nan 8.150 nan 0.000 0.445 245 I N -0.860 119.771 120.570 0.102 0.000 2.315 245 I HA -0.287 3.882 4.170 -0.002 0.000 0.248 245 I C 2.426 178.588 176.117 0.074 0.000 1.117 245 I CA 0.933 62.256 61.300 0.037 0.000 1.404 245 I CB -0.430 37.492 38.000 -0.130 0.000 1.071 245 I HN 0.377 nan 8.210 nan 0.000 0.419 246 C N -0.077 119.271 119.300 0.079 0.000 2.446 246 C HA -0.079 4.380 4.460 -0.002 0.000 0.277 246 C C 2.883 177.963 174.990 0.149 0.000 1.275 246 C CA 0.399 59.474 59.018 0.096 0.000 1.727 246 C CB -0.524 27.262 27.740 0.076 0.000 2.010 246 C HN 0.329 nan 8.230 nan 0.000 0.486 247 V N 1.271 121.277 119.914 0.154 0.000 2.283 247 V HA -0.140 3.979 4.120 -0.002 0.000 0.243 247 V C 2.732 178.931 176.094 0.175 0.000 1.039 247 V CA 2.135 64.527 62.300 0.153 0.000 1.016 247 V CB -1.314 30.591 31.823 0.137 0.000 0.650 247 V HN 0.555 nan 8.190 nan 0.000 0.449 248 A N -0.358 122.599 122.820 0.228 0.000 1.883 248 A HA -0.198 4.121 4.320 -0.002 0.000 0.217 248 A C 1.912 179.587 177.584 0.152 0.000 1.186 248 A CA 1.961 54.118 52.037 0.200 0.000 0.624 248 A CB -0.759 18.409 19.000 0.280 0.000 0.822 248 A HN 0.567 nan 8.150 nan 0.000 0.444 249 F N -0.183 119.791 119.950 0.041 0.000 2.692 249 F HA 0.343 4.869 4.527 -0.002 0.000 0.303 249 F C 1.648 177.470 175.800 0.038 0.000 1.114 249 F CA 0.277 58.299 58.000 0.036 0.000 1.361 249 F CB -0.060 38.961 39.000 0.035 0.000 1.063 249 F HN 0.336 nan 8.300 nan 0.000 0.550 250 G N 1.728 110.648 108.800 0.200 0.000 2.371 250 G HA2 -0.272 3.686 3.960 -0.002 0.000 0.299 250 G HA3 -0.272 3.686 3.960 -0.002 0.000 0.299 250 G C 0.115 175.089 174.900 0.124 0.000 1.014 250 G CA -0.229 44.951 45.100 0.133 0.000 1.097 250 G HN 0.198 nan 8.290 nan 0.000 0.512 251 L N 0.305 121.604 121.223 0.128 0.000 2.873 251 L HA 0.218 4.557 4.340 -0.002 0.000 0.236 251 L C 1.926 178.837 176.870 0.070 0.000 1.375 251 L CA 0.182 55.078 54.840 0.093 0.000 1.239 251 L CB -0.378 41.728 42.059 0.079 0.000 1.603 251 L HN 0.318 nan 8.230 nan 0.000 0.430 252 Q N 1.184 121.024 119.800 0.066 0.000 2.077 252 Q HA -0.230 4.108 4.340 -0.002 0.000 0.206 252 Q C 2.118 178.143 176.000 0.041 0.000 0.989 252 Q CA 2.080 57.912 55.803 0.048 0.000 0.853 252 Q CB -0.084 28.681 28.738 0.045 0.000 0.907 252 Q HN 0.618 nan 8.270 nan 0.000 0.418 253 K N -0.915 119.513 120.400 0.046 0.000 2.020 253 K HA -0.156 4.162 4.320 -0.002 0.000 0.212 253 K C 2.120 178.744 176.600 0.041 0.000 1.050 253 K CA 1.695 58.008 56.287 0.043 0.000 0.929 253 K CB -1.029 31.497 32.500 0.043 0.000 0.714 253 K HN 0.232 nan 8.250 nan 0.000 0.443 254 G N 1.305 110.130 108.800 0.042 0.000 2.418 254 G HA2 -0.185 3.774 3.960 -0.002 0.000 0.217 254 G HA3 -0.185 3.774 3.960 -0.002 0.000 0.217 254 G C 1.652 176.574 174.900 0.037 0.000 1.158 254 G CA 0.919 46.042 45.100 0.038 0.000 0.771 254 G HN 0.189 nan 8.290 nan 0.000 0.545 255 V N 0.777 120.712 119.914 0.035 0.000 2.332 255 V HA -0.196 3.922 4.120 -0.002 0.000 0.248 255 V C 2.786 178.890 176.094 0.017 0.000 1.055 255 V CA 2.314 64.629 62.300 0.025 0.000 1.038 255 V CB -0.442 31.393 31.823 0.020 0.000 0.651 255 V HN 0.359 nan 8.190 nan 0.000 0.450 256 K N -0.131 120.283 120.400 0.023 0.000 2.057 256 K HA -0.083 4.236 4.320 -0.002 0.000 0.207 256 K C 2.011 178.636 176.600 0.041 0.000 1.049 256 K CA 1.531 57.836 56.287 0.029 0.000 0.931 256 K CB -0.291 32.233 32.500 0.041 0.000 0.714 256 K HN 0.398 nan 8.250 nan 0.000 0.440 257 I N 0.933 121.531 120.570 0.046 0.000 2.226 257 I HA -0.274 3.894 4.170 -0.002 0.000 0.245 257 I C 2.497 178.644 176.117 0.050 0.000 1.100 257 I CA 1.034 62.368 61.300 0.056 0.000 1.374 257 I CB -0.467 37.562 38.000 0.048 0.000 1.057 257 I HN 0.163 nan 8.210 nan 0.000 0.413 258 A N -0.059 122.782 122.820 0.035 0.000 1.908 258 A HA -0.258 4.061 4.320 -0.002 0.000 0.218 258 A C 2.505 180.092 177.584 0.004 0.000 1.181 258 A CA 2.281 54.333 52.037 0.026 0.000 0.627 258 A CB -0.866 18.153 19.000 0.031 0.000 0.818 258 A HN 0.378 nan 8.150 nan 0.000 0.445 259 S N -0.464 115.231 115.700 -0.008 0.000 2.370 259 S HA -0.203 4.266 4.470 -0.002 0.000 0.226 259 S C 1.680 176.251 174.600 -0.048 0.000 1.033 259 S CA 1.799 59.974 58.200 -0.042 0.000 1.011 259 S CB -0.511 62.668 63.200 -0.035 0.000 0.852 259 S HN 0.590 nan 8.310 nan 0.000 0.457 260 D N 0.399 120.810 120.400 0.018 0.000 2.144 260 D HA -0.035 4.604 4.640 -0.002 0.000 0.200 260 D C 2.045 178.395 176.300 0.084 0.000 0.978 260 D CA 0.881 54.918 54.000 0.062 0.000 0.833 260 D CB -0.470 40.450 40.800 0.200 0.000 0.961 260 D HN 0.284 nan 8.370 nan 0.000 0.470 261 V N 1.428 121.394 119.914 0.087 0.000 2.307 261 V HA -0.192 3.927 4.120 -0.002 0.000 0.245 261 V C 2.586 178.670 176.094 -0.017 0.000 1.045 261 V CA 1.396 63.747 62.300 0.086 0.000 1.024 261 V CB -0.476 31.376 31.823 0.048 0.000 0.651 261 V HN 0.183 nan 8.190 nan 0.000 0.449 262 R N 0.421 120.876 120.500 -0.075 0.000 2.091 262 R HA -0.192 4.147 4.340 -0.002 0.000 0.238 262 R C 2.152 178.291 176.300 -0.268 0.000 1.136 262 R CA 2.442 58.460 56.100 -0.137 0.000 0.959 262 R CB -0.910 29.317 30.300 -0.123 0.000 0.856 262 R HN 0.540 nan 8.270 nan 0.000 0.437 263 T N 0.581 114.910 114.554 -0.375 0.000 2.708 263 T HA -0.149 4.200 4.350 -0.002 0.000 0.266 263 T C 1.600 175.659 174.700 -1.068 0.000 1.037 263 T CA 1.796 63.464 62.100 -0.720 0.000 1.146 263 T CB -0.429 67.996 68.868 -0.737 0.000 0.865 263 T HN 0.321 nan 8.240 nan 0.000 0.435 264 Y N 0.545 120.568 120.300 -0.462 0.000 2.314 264 Y HA 0.146 4.694 4.550 -0.002 0.000 0.293 264 Y C 2.085 177.849 175.900 -0.225 0.000 1.129 264 Y CA -0.189 57.709 58.100 -0.337 0.000 1.201 264 Y CB -0.588 37.835 38.460 -0.060 0.000 0.999 264 Y HN 0.090 nan 8.280 nan 0.000 0.541 265 L N -0.675 120.498 121.223 -0.083 0.000 2.056 265 L HA -0.157 4.181 4.340 -0.002 0.000 0.207 265 L C 2.282 179.069 176.870 -0.137 0.000 1.078 265 L CA 1.585 56.371 54.840 -0.089 0.000 0.749 265 L CB -1.115 40.884 42.059 -0.100 0.000 0.901 265 L HN 0.018 nan 8.230 nan 0.000 0.433 266 S N -0.287 115.282 115.700 -0.220 0.000 2.372 266 S HA -0.203 4.266 4.470 -0.002 0.000 0.227 266 S C 1.810 176.439 174.600 0.048 0.000 1.044 266 S CA 1.774 59.877 58.200 -0.163 0.000 1.050 266 S CB -0.548 62.508 63.200 -0.240 0.000 0.901 266 S HN 0.421 nan 8.310 nan 0.000 0.447 267 F N 1.168 121.123 119.950 0.009 0.000 2.102 267 F HA -0.013 4.513 4.527 -0.002 0.000 0.298 267 F C 2.166 178.009 175.800 0.072 0.000 1.105 267 F CA 0.121 58.165 58.000 0.074 0.000 1.239 267 F CB -1.508 37.592 39.000 0.167 0.000 0.991 267 F HN 0.170 nan 8.300 nan 0.000 0.474 268 L N -0.202 121.166 121.223 0.241 0.000 2.012 268 L HA -0.208 4.131 4.340 -0.002 0.000 0.210 268 L C 2.174 179.099 176.870 0.092 0.000 1.073 268 L CA 1.798 56.723 54.840 0.142 0.000 0.748 268 L CB -0.739 41.354 42.059 0.056 0.000 0.891 268 L HN -0.025 nan 8.230 nan 0.000 0.431 269 M N -0.886 118.691 119.600 -0.039 0.000 2.117 269 M HA -0.147 4.332 4.480 -0.002 0.000 0.262 269 M C 2.366 178.675 176.300 0.015 0.000 1.065 269 M CA 1.692 56.891 55.300 -0.168 0.000 1.114 269 M CB -1.296 30.968 32.600 -0.560 0.000 1.361 269 M HN 0.301 nan 8.290 nan 0.000 0.408 270 L N -0.925 120.340 121.223 0.070 0.000 2.056 270 L HA -0.076 4.263 4.340 -0.002 0.000 0.207 270 L C 2.625 179.615 176.870 0.199 0.000 1.078 270 L CA 1.209 56.128 54.840 0.131 0.000 0.749 270 L CB -1.267 40.862 42.059 0.116 0.000 0.901 270 L HN 0.371 nan 8.230 nan 0.000 0.433 271 G N -0.603 108.328 108.800 0.218 0.000 2.418 271 G HA2 -0.295 3.664 3.960 -0.002 0.000 0.217 271 G HA3 -0.295 3.664 3.960 -0.002 0.000 0.217 271 G C 1.413 176.507 174.900 0.324 0.000 1.158 271 G CA 0.410 45.670 45.100 0.266 0.000 0.771 271 G HN 0.514 nan 8.290 nan 0.000 0.545 272 W N 1.160 122.517 121.300 0.095 0.000 2.333 272 W HA -0.184 4.476 4.660 -0.001 0.000 0.316 272 W C 2.199 178.771 176.519 0.089 0.000 1.215 272 W CA 1.750 59.133 57.345 0.064 0.000 1.278 272 W CB -0.458 29.001 29.460 -0.002 0.000 1.154 272 W HN 0.113 nan 8.180 nan 0.000 0.486 273 V N 1.338 121.309 119.914 0.094 0.000 2.380 273 V HA -0.351 3.768 4.120 -0.002 0.000 0.251 273 V C 2.104 178.205 176.094 0.012 0.000 1.063 273 V CA 2.345 64.649 62.300 0.006 0.000 1.055 273 V CB -1.402 30.526 31.823 0.174 0.000 0.657 273 V HN 0.250 nan 8.190 nan 0.000 0.455 274 F N 0.595 120.532 119.950 -0.021 0.000 2.084 274 F HA -0.145 4.381 4.527 -0.002 0.000 0.296 274 F C 2.119 177.886 175.800 -0.055 0.000 1.111 274 F CA 1.676 59.673 58.000 -0.005 0.000 1.224 274 F CB -0.335 38.682 39.000 0.029 0.000 0.991 274 F HN 0.053 nan 8.300 nan 0.000 0.471 275 I N 0.246 120.699 120.570 -0.196 0.000 2.286 275 I HA -0.232 3.937 4.170 -0.002 0.000 0.248 275 I C 2.021 177.893 176.117 -0.409 0.000 1.115 275 I CA 1.658 62.764 61.300 -0.323 0.000 1.392 275 I CB -0.417 37.530 38.000 -0.089 0.000 1.065 275 I HN 0.265 nan 8.210 nan 0.000 0.418 276 V N -2.909 116.693 119.914 -0.520 0.000 3.578 276 V HA 0.394 4.513 4.120 -0.002 0.000 0.290 276 V C 1.534 177.422 176.094 -0.344 0.000 1.376 276 V CA 0.607 62.596 62.300 -0.518 0.000 1.083 276 V CB -0.086 31.214 31.823 -0.872 0.000 0.911 276 V HN 0.256 nan 8.190 nan 0.000 0.433 277 G N 0.186 108.824 108.800 -0.270 0.000 3.088 277 G HA2 0.472 4.431 3.960 -0.002 0.000 0.217 277 G HA3 0.472 4.431 3.960 -0.002 0.000 0.217 277 G C 0.982 175.823 174.900 -0.098 0.000 1.159 277 G CA 0.267 45.283 45.100 -0.140 0.000 0.760 277 G HN 1.667 nan 8.290 nan 0.000 0.550 278 G N -0.572 108.140 108.800 -0.147 0.000 2.978 278 G HA2 0.244 4.203 3.960 -0.002 0.000 0.193 278 G HA3 0.244 4.203 3.960 -0.002 0.000 0.193 278 G C 0.843 175.696 174.900 -0.079 0.000 1.038 278 G CA 0.296 45.352 45.100 -0.073 0.000 1.103 278 G HN 0.864 nan 8.290 nan 0.000 0.574 279 A N 0.639 123.266 122.820 -0.321 0.000 1.883 279 A HA 0.079 4.398 4.320 -0.002 0.000 0.217 279 A C 2.800 180.321 177.584 -0.105 0.000 1.186 279 A CA 2.932 54.607 52.037 -0.604 0.000 0.624 279 A CB -0.694 17.789 19.000 -0.863 0.000 0.822 279 A HN 1.924 nan 8.150 nan 0.000 0.444 280 S N -1.505 114.181 115.700 -0.023 0.000 2.368 280 S HA -0.187 4.282 4.470 -0.002 0.000 0.225 280 S C 1.850 176.531 174.600 0.136 0.000 1.030 280 S CA 1.660 59.903 58.200 0.072 0.000 0.999 280 S CB -0.580 62.653 63.200 0.055 0.000 0.844 280 S HN 0.625 nan 8.310 nan 0.000 0.459 281 F N 1.641 121.616 119.950 0.041 0.000 2.171 281 F HA 0.056 4.582 4.527 -0.002 0.000 0.300 281 F C 1.798 177.703 175.800 0.175 0.000 1.090 281 F CA 1.480 59.526 58.000 0.077 0.000 1.293 281 F CB -0.245 38.767 39.000 0.020 0.000 1.013 281 F HN 0.245 nan 8.300 nan 0.000 0.486 282 I N -0.788 119.937 120.570 0.259 0.000 2.286 282 I HA -0.243 3.926 4.170 -0.002 0.000 0.245 282 I C 2.228 178.505 176.117 0.266 0.000 1.104 282 I CA 0.915 62.402 61.300 0.312 0.000 1.397 282 I CB -0.498 37.781 38.000 0.466 0.000 1.072 282 I HN -0.037 nan 8.210 nan 0.000 0.417 283 V N 1.222 121.312 119.914 0.293 0.000 2.332 283 V HA -0.280 3.838 4.120 -0.002 0.000 0.248 283 V C 2.149 178.348 176.094 0.175 0.000 1.055 283 V CA 1.874 64.330 62.300 0.259 0.000 1.038 283 V CB -0.830 31.143 31.823 0.250 0.000 0.651 283 V HN 0.464 nan 8.190 nan 0.000 0.450 284 N N -0.848 117.890 118.700 0.064 0.000 2.171 284 N HA -0.158 4.581 4.740 -0.002 0.000 0.184 284 N C 1.840 177.320 175.510 -0.051 0.000 1.021 284 N CA 1.466 54.513 53.050 -0.005 0.000 0.854 284 N CB -0.331 38.133 38.487 -0.038 0.000 0.994 284 N HN 0.585 nan 8.380 nan 0.000 0.426 285 Y N 0.825 120.913 120.300 -0.354 0.000 2.263 285 Y HA -0.108 4.441 4.550 -0.002 0.000 0.292 285 Y C 2.154 177.982 175.900 -0.121 0.000 1.130 285 Y CA 0.754 58.630 58.100 -0.374 0.000 1.179 285 Y CB -0.681 37.351 38.460 -0.713 0.000 0.998 285 Y HN -0.030 nan 8.280 nan 0.000 0.532 286 F N 0.320 120.153 119.950 -0.195 0.000 2.113 286 F HA -0.157 4.369 4.527 -0.002 0.000 0.297 286 F C 2.191 177.857 175.800 -0.222 0.000 1.103 286 F CA 2.295 60.151 58.000 -0.240 0.000 1.248 286 F CB -0.846 38.093 39.000 -0.101 0.000 0.999 286 F HN -0.078 nan 8.300 nan 0.000 0.475 287 T N -0.218 114.201 114.554 -0.224 0.000 2.684 287 T HA -0.247 4.102 4.350 -0.002 0.000 0.267 287 T C 1.484 176.004 174.700 -0.300 0.000 1.036 287 T CA 1.900 63.834 62.100 -0.277 0.000 1.148 287 T CB -0.589 68.247 68.868 -0.052 0.000 0.863 287 T HN 0.357 nan 8.240 nan 0.000 0.436 288 D N 0.523 120.792 120.400 -0.218 0.000 2.144 288 D HA -0.063 4.575 4.640 -0.002 0.000 0.199 288 D C 2.227 178.368 176.300 -0.265 0.000 0.984 288 D CA 1.018 54.910 54.000 -0.179 0.000 0.834 288 D CB -0.108 40.639 40.800 -0.088 0.000 0.955 288 D HN 0.210 nan 8.370 nan 0.000 0.465 289 S N -1.084 114.365 115.700 -0.417 0.000 2.428 289 S HA -0.074 4.395 4.470 -0.002 0.000 0.230 289 S C 2.105 176.430 174.600 -0.457 0.000 1.014 289 S CA 0.370 58.292 58.200 -0.463 0.000 0.957 289 S CB 0.002 62.831 63.200 -0.618 0.000 0.784 289 S HN 0.147 nan 8.310 nan 0.000 0.499 290 V N 1.696 121.267 119.914 -0.572 0.000 2.295 290 V HA -0.155 3.963 4.120 -0.002 0.000 0.246 290 V C 2.607 178.555 176.094 -0.243 0.000 1.049 290 V CA 2.040 64.052 62.300 -0.479 0.000 1.024 290 V CB -1.393 30.102 31.823 -0.546 0.000 0.648 290 V HN 0.579 nan 8.190 nan 0.000 0.447 291 G N -0.935 107.743 108.800 -0.205 0.000 2.408 291 G HA2 -0.198 3.761 3.960 -0.002 0.000 0.217 291 G HA3 -0.198 3.761 3.960 -0.002 0.000 0.217 291 G C 1.699 176.543 174.900 -0.094 0.000 1.150 291 G CA 1.377 46.406 45.100 -0.118 0.000 0.776 291 G HN 0.462 nan 8.290 nan 0.000 0.542 292 T N 1.111 115.595 114.554 -0.115 0.000 2.777 292 T HA -0.105 4.244 4.350 -0.002 0.000 0.266 292 T C 2.264 176.927 174.700 -0.062 0.000 1.040 292 T CA 1.159 63.222 62.100 -0.061 0.000 1.141 292 T CB -0.232 68.569 68.868 -0.112 0.000 0.868 292 T HN 0.167 nan 8.240 nan 0.000 0.444 293 L N 1.223 122.355 121.223 -0.152 0.000 2.012 293 L HA -0.041 4.298 4.340 -0.002 0.000 0.210 293 L C 2.123 178.952 176.870 -0.068 0.000 1.073 293 L CA 1.740 56.495 54.840 -0.143 0.000 0.748 293 L CB -0.741 41.230 42.059 -0.147 0.000 0.891 293 L HN 0.244 nan 8.230 nan 0.000 0.431 294 L N -1.347 119.848 121.223 -0.047 0.000 2.131 294 L HA -0.220 4.119 4.340 -0.002 0.000 0.210 294 L C 2.651 179.496 176.870 -0.041 0.000 1.092 294 L CA 1.647 56.477 54.840 -0.016 0.000 0.759 294 L CB -0.490 41.567 42.059 -0.003 0.000 0.903 294 L HN 0.446 nan 8.230 nan 0.000 0.435 295 M N -1.596 117.968 119.600 -0.060 0.000 2.156 295 M HA -0.191 4.287 4.480 -0.002 0.000 0.264 295 M C 1.963 178.135 176.300 -0.215 0.000 1.067 295 M CA 1.832 57.057 55.300 -0.125 0.000 1.131 295 M CB 0.056 32.582 32.600 -0.124 0.000 1.368 295 M HN 0.146 nan 8.290 nan 0.000 0.416 296 Y N -0.944 119.211 120.300 -0.241 0.000 2.510 296 Y HA 0.019 4.567 4.550 -0.002 0.000 0.273 296 Y C 2.220 177.910 175.900 -0.350 0.000 1.119 296 Y CA 0.482 58.384 58.100 -0.330 0.000 1.286 296 Y CB -0.095 38.124 38.460 -0.400 0.000 1.061 296 Y HN 0.190 nan 8.280 nan 0.000 0.542 297 M N 0.749 120.259 119.600 -0.150 0.000 2.147 297 M HA -0.268 4.211 4.480 -0.002 0.000 0.253 297 M C -0.966 175.255 176.300 -0.131 0.000 1.075 297 M CA 2.462 57.650 55.300 -0.188 0.000 1.085 297 M CB -0.995 31.584 32.600 -0.034 0.000 1.305 297 M HN 0.020 nan 8.290 nan 0.000 0.409 298 P HA -0.133 nan 4.420 nan 0.000 0.217 298 P C 1.071 178.445 177.300 0.124 0.000 1.150 298 P CA 1.317 64.477 63.100 0.100 0.000 0.832 298 P CB -0.209 31.525 31.700 0.056 0.000 0.787 299 R N -0.183 120.297 120.500 -0.033 0.000 2.081 299 R HA -0.040 4.299 4.340 -0.002 0.000 0.235 299 R C 2.221 178.537 176.300 0.027 0.000 1.131 299 R CA 1.756 57.837 56.100 -0.032 0.000 0.960 299 R CB -1.237 28.928 30.300 -0.225 0.000 0.856 299 R HN 0.110 nan 8.270 nan 0.000 0.436 300 M N -0.641 118.842 119.600 -0.196 0.000 2.175 300 M HA -0.091 4.388 4.480 -0.002 0.000 0.264 300 M C 1.807 178.004 176.300 -0.173 0.000 1.063 300 M CA 1.003 56.038 55.300 -0.443 0.000 1.119 300 M CB -0.225 31.437 32.600 -1.563 0.000 1.377 300 M HN 0.147 nan 8.290 nan 0.000 0.415 301 L N -0.851 120.329 121.223 -0.071 0.000 2.201 301 L HA -0.063 4.276 4.340 -0.002 0.000 0.212 301 L C 0.881 177.654 176.870 -0.161 0.000 1.105 301 L CA 1.841 56.724 54.840 0.071 0.000 0.775 301 L CB -0.217 41.771 42.059 -0.118 0.000 0.913 301 L HN 0.158 nan 8.230 nan 0.000 0.440 302 F N -2.510 117.522 119.950 0.137 0.000 2.735 302 F HA 0.216 4.742 4.527 -0.002 0.000 0.304 302 F C -0.160 175.785 175.800 0.242 0.000 1.119 302 F CA -0.868 57.189 58.000 0.095 0.000 1.280 302 F CB -0.178 38.822 39.000 -0.001 0.000 0.994 302 F HN -0.157 nan 8.300 nan 0.000 0.520 303 Y N 1.772 122.224 120.300 0.254 0.000 2.365 303 Y HA 0.331 4.880 4.550 -0.002 0.000 0.340 303 Y C 1.286 177.317 175.900 0.219 0.000 1.016 303 Y CA -0.646 57.606 58.100 0.253 0.000 1.196 303 Y CB 0.960 39.577 38.460 0.263 0.000 1.167 303 Y HN 0.204 nan 8.280 nan 0.000 0.509 304 T N -0.277 114.310 114.554 0.055 0.000 3.016 304 T HA 0.118 4.466 4.350 -0.002 0.000 0.271 304 T C 0.045 174.630 174.700 -0.193 0.000 0.968 304 T CA 0.354 62.414 62.100 -0.067 0.000 0.891 304 T CB -0.273 68.663 68.868 0.114 0.000 1.149 304 T HN 0.557 nan 8.240 nan 0.000 0.524 305 D N 2.959 123.230 120.400 -0.214 0.000 2.802 305 D HA -0.088 4.550 4.640 -0.002 0.000 0.229 305 D C -1.889 174.417 176.300 0.010 0.000 1.203 305 D CA 0.780 54.749 54.000 -0.052 0.000 0.712 305 D CB -0.276 40.413 40.800 -0.185 0.000 0.973 305 D HN 0.354 nan 8.370 nan 0.000 0.407 306 P HA 0.083 nan 4.420 nan 0.000 0.239 306 P C 1.563 178.886 177.300 0.038 0.000 1.188 306 P CA 0.001 63.122 63.100 0.034 0.000 0.794 306 P CB 0.380 32.106 31.700 0.044 0.000 0.937 307 I N -0.420 120.185 120.570 0.060 0.000 2.499 307 I HA 0.109 4.278 4.170 -0.002 0.000 0.243 307 I C 2.408 178.559 176.117 0.055 0.000 1.085 307 I CA 1.552 62.885 61.300 0.054 0.000 1.422 307 I CB -2.035 36.004 38.000 0.065 0.000 1.165 307 I HN -0.040 nan 8.210 nan 0.000 0.440 308 G N 0.613 109.459 108.800 0.077 0.000 2.421 308 G HA2 -0.186 3.773 3.960 -0.002 0.000 0.217 308 G HA3 -0.186 3.773 3.960 -0.002 0.000 0.217 308 G C 0.918 175.853 174.900 0.057 0.000 1.143 308 G CA 0.324 45.469 45.100 0.075 0.000 0.784 308 G HN 0.483 nan 8.290 nan 0.000 0.541 309 K N -0.661 119.766 120.400 0.044 0.000 3.016 309 K HA -0.193 4.126 4.320 -0.002 0.000 0.262 309 K C 1.514 178.131 176.600 0.027 0.000 1.043 309 K CA 0.176 56.475 56.287 0.020 0.000 0.761 309 K CB -1.785 30.724 32.500 0.015 0.000 1.230 309 K HN 0.381 nan 8.250 nan 0.000 0.485 310 G N 0.361 109.191 108.800 0.050 0.000 2.535 310 G HA2 0.062 4.020 3.960 -0.002 0.000 0.218 310 G HA3 0.062 4.020 3.960 -0.002 0.000 0.218 310 G C 1.281 176.216 174.900 0.058 0.000 1.122 310 G CA 0.946 46.087 45.100 0.068 0.000 0.769 310 G HN 0.874 nan 8.290 nan 0.000 0.549 311 G N -0.781 108.026 108.800 0.013 0.000 2.184 311 G HA2 -0.377 3.582 3.960 -0.002 0.000 0.264 311 G HA3 -0.377 3.582 3.960 -0.002 0.000 0.264 311 G C 0.909 175.788 174.900 -0.035 0.000 0.975 311 G CA 0.678 45.761 45.100 -0.028 0.000 0.642 311 G HN 0.535 nan 8.290 nan 0.000 0.536 312 F N 2.274 122.164 119.950 -0.100 0.000 2.069 312 F HA -0.005 4.521 4.527 -0.002 0.000 0.298 312 F C 0.484 176.233 175.800 -0.086 0.000 1.113 312 F CA 2.650 60.629 58.000 -0.036 0.000 1.214 312 F CB -0.472 38.514 39.000 -0.024 0.000 0.978 312 F HN 0.257 nan 8.300 nan 0.000 0.474 313 P HA -0.156 nan 4.420 nan 0.000 0.217 313 P C 1.193 178.359 177.300 -0.223 0.000 1.150 313 P CA 1.565 64.600 63.100 -0.107 0.000 0.832 313 P CB -0.095 31.438 31.700 -0.279 0.000 0.787 314 Q N -0.133 119.522 119.800 -0.241 0.000 2.084 314 Q HA -0.052 4.287 4.340 -0.002 0.000 0.202 314 Q C 2.330 178.104 176.000 -0.376 0.000 0.978 314 Q CA 2.031 57.664 55.803 -0.282 0.000 0.844 314 Q CB -1.385 27.215 28.738 -0.230 0.000 0.898 314 Q HN 0.182 nan 8.270 nan 0.000 0.426 315 A N -1.337 121.227 122.820 -0.428 0.000 1.969 315 A HA -0.109 4.210 4.320 -0.002 0.000 0.218 315 A C 1.277 178.215 177.584 -1.076 0.000 1.169 315 A CA 1.200 52.833 52.037 -0.673 0.000 0.635 315 A CB -0.441 18.019 19.000 -0.899 0.000 0.810 315 A HN 0.516 nan 8.150 nan 0.000 0.445 316 W N -1.790 119.166 121.300 -0.573 0.000 3.705 316 W HA 0.112 4.770 4.660 -0.002 0.000 0.224 316 W C 2.512 178.482 176.519 -0.915 0.000 0.882 316 W CA 0.675 57.534 57.345 -0.811 0.000 2.321 316 W CB -0.412 28.516 29.460 -0.886 0.000 1.107 316 W HN 0.023 nan 8.180 nan 0.000 0.692 317 T N 1.263 115.550 114.554 -0.445 0.000 2.684 317 T HA -0.206 4.143 4.350 -0.002 0.000 0.267 317 T C 1.722 175.999 174.700 -0.705 0.000 1.036 317 T CA 1.889 63.613 62.100 -0.626 0.000 1.148 317 T CB -0.799 67.951 68.868 -0.197 0.000 0.863 317 T HN -0.144 nan 8.240 nan 0.000 0.436 318 V N 1.277 120.948 119.914 -0.405 0.000 2.295 318 V HA -0.117 4.001 4.120 -0.002 0.000 0.246 318 V C 1.958 177.858 176.094 -0.322 0.000 1.049 318 V CA 1.779 63.903 62.300 -0.294 0.000 1.024 318 V CB -0.855 30.820 31.823 -0.247 0.000 0.648 318 V HN 0.523 nan 8.190 nan 0.000 0.447 319 F N 0.034 119.710 119.950 -0.457 0.000 2.069 319 F HA -0.278 4.248 4.527 -0.002 0.000 0.298 319 F C 2.415 178.139 175.800 -0.128 0.000 1.113 319 F CA 1.935 59.731 58.000 -0.339 0.000 1.214 319 F CB -0.338 38.433 39.000 -0.382 0.000 0.978 319 F HN 0.139 nan 8.300 nan 0.000 0.474 320 Y N -0.318 119.543 120.300 -0.732 0.000 2.274 320 Y HA -0.217 4.331 4.550 -0.002 0.000 0.290 320 Y C 2.289 178.227 175.900 0.063 0.000 1.145 320 Y CA 0.784 58.468 58.100 -0.693 0.000 1.203 320 Y CB -1.465 36.437 38.460 -0.930 0.000 0.984 320 Y HN 0.293 nan 8.280 nan 0.000 0.533 321 W N -0.753 120.494 121.300 -0.089 0.000 2.388 321 W HA -0.122 4.537 4.660 -0.002 0.000 0.294 321 W C 2.539 179.062 176.519 0.006 0.000 1.212 321 W CA 0.552 57.898 57.345 0.003 0.000 1.271 321 W CB -0.213 29.246 29.460 -0.001 0.000 1.126 321 W HN -0.026 nan 8.180 nan 0.000 0.535 322 A N 0.599 123.408 122.820 -0.018 0.000 1.902 322 A HA -0.257 4.061 4.320 -0.002 0.000 0.217 322 A C 1.663 179.304 177.584 0.096 0.000 1.181 322 A CA 1.398 53.349 52.037 -0.142 0.000 0.623 322 A CB -1.502 17.289 19.000 -0.349 0.000 0.818 322 A HN 0.566 nan 8.150 nan 0.000 0.443 323 W N -0.356 120.902 121.300 -0.071 0.000 2.335 323 W HA -0.215 4.444 4.660 -0.003 0.000 0.311 323 W C 1.792 178.351 176.519 0.068 0.000 1.213 323 W CA 1.802 59.125 57.345 -0.037 0.000 1.274 323 W CB -0.903 28.471 29.460 -0.142 0.000 1.148 323 W HN 0.481 nan 8.180 nan 0.000 0.498 324 W N 0.525 122.079 121.300 0.424 0.000 2.338 324 W HA -0.213 4.446 4.660 -0.002 0.000 0.304 324 W C 2.657 179.364 176.519 0.314 0.000 1.212 324 W CA 2.233 59.778 57.345 0.333 0.000 1.264 324 W CB -1.111 28.378 29.460 0.048 0.000 1.142 324 W HN -0.347 nan 8.180 nan 0.000 0.512 325 V N 0.254 120.387 119.914 0.365 0.000 2.427 325 V HA -0.285 3.834 4.120 -0.002 0.000 0.248 325 V C 1.990 178.149 176.094 0.107 0.000 1.051 325 V CA 1.500 63.910 62.300 0.183 0.000 1.048 325 V CB -0.685 31.155 31.823 0.028 0.000 0.666 325 V HN 0.159 nan 8.190 nan 0.000 0.456 326 I N -1.110 119.448 120.570 -0.019 0.000 2.286 326 I HA -0.242 3.927 4.170 -0.002 0.000 0.248 326 I C 1.857 177.792 176.117 -0.303 0.000 1.115 326 I CA 1.799 62.955 61.300 -0.241 0.000 1.392 326 I CB -0.140 37.550 38.000 -0.517 0.000 1.065 326 I HN 0.343 nan 8.210 nan 0.000 0.418 327 Y N 0.076 120.336 120.300 -0.068 0.000 2.461 327 Y HA 0.243 4.792 4.550 -0.002 0.000 0.277 327 Y C 2.106 177.981 175.900 -0.042 0.000 1.182 327 Y CA 0.109 58.161 58.100 -0.080 0.000 1.276 327 Y CB -0.547 37.799 38.460 -0.189 0.000 1.087 327 Y HN 0.056 nan 8.280 nan 0.000 0.519 328 A N 0.439 123.304 122.820 0.075 0.000 1.858 328 A HA -0.163 4.155 4.320 -0.002 0.000 0.216 328 A C 2.205 179.687 177.584 -0.170 0.000 1.190 328 A CA 1.677 53.508 52.037 -0.343 0.000 0.617 328 A CB -0.762 18.244 19.000 0.009 0.000 0.827 328 A HN 0.430 nan 8.150 nan 0.000 0.443 329 I N -0.490 120.131 120.570 0.086 0.000 2.179 329 I HA -0.329 3.840 4.170 -0.002 0.000 0.242 329 I C 2.815 178.937 176.117 0.009 0.000 1.088 329 I CA 1.756 63.137 61.300 0.136 0.000 1.357 329 I CB -0.443 37.667 38.000 0.184 0.000 1.051 329 I HN 0.390 nan 8.210 nan 0.000 0.409 330 Q N -0.187 119.679 119.800 0.109 0.000 2.030 330 Q HA -0.264 4.074 4.340 -0.002 0.000 0.204 330 Q C 2.111 178.167 176.000 0.094 0.000 0.986 330 Q CA 1.811 57.675 55.803 0.102 0.000 0.843 330 Q CB -0.482 28.353 28.738 0.162 0.000 0.904 330 Q HN 0.353 nan 8.270 nan 0.000 0.420 331 M N 0.160 119.821 119.600 0.102 0.000 2.159 331 M HA -0.099 4.380 4.480 -0.002 0.000 0.263 331 M C 1.792 178.239 176.300 0.244 0.000 1.063 331 M CA 1.592 57.017 55.300 0.208 0.000 1.110 331 M CB -0.233 32.550 32.600 0.305 0.000 1.374 331 M HN 0.096 nan 8.290 nan 0.000 0.411 332 S N 0.105 115.859 115.700 0.089 0.000 2.402 332 S HA -0.034 4.435 4.470 -0.002 0.000 0.229 332 S C 1.901 176.598 174.600 0.163 0.000 1.021 332 S CA 1.350 59.656 58.200 0.178 0.000 0.974 332 S CB -0.528 62.809 63.200 0.228 0.000 0.800 332 S HN 0.533 nan 8.310 nan 0.000 0.484 333 I N 0.593 121.146 120.570 -0.029 0.000 2.179 333 I HA -0.192 3.977 4.170 -0.002 0.000 0.242 333 I C 2.128 178.379 176.117 0.225 0.000 1.088 333 I CA 1.335 62.628 61.300 -0.012 0.000 1.357 333 I CB -0.271 37.630 38.000 -0.165 0.000 1.051 333 I HN 0.282 nan 8.210 nan 0.000 0.409 334 F N 1.376 121.382 119.950 0.093 0.000 2.171 334 F HA -0.197 4.329 4.527 -0.002 0.000 0.300 334 F C 2.129 178.030 175.800 0.169 0.000 1.090 334 F CA 1.590 59.656 58.000 0.110 0.000 1.293 334 F CB -0.145 38.894 39.000 0.065 0.000 1.013 334 F HN -0.110 nan 8.300 nan 0.000 0.486 335 L N 0.143 121.384 121.223 0.029 0.000 2.093 335 L HA -0.154 4.184 4.340 -0.002 0.000 0.208 335 L C 2.892 179.841 176.870 0.132 0.000 1.085 335 L CA 1.019 55.855 54.840 -0.007 0.000 0.755 335 L CB -1.274 40.910 42.059 0.209 0.000 0.904 335 L HN 0.284 nan 8.230 nan 0.000 0.435 336 A N 0.070 123.039 122.820 0.249 0.000 1.883 336 A HA -0.197 4.122 4.320 -0.002 0.000 0.217 336 A C 2.368 180.264 177.584 0.519 0.000 1.186 336 A CA 1.339 53.615 52.037 0.400 0.000 0.624 336 A CB -0.417 18.842 19.000 0.432 0.000 0.822 336 A HN 0.254 nan 8.150 nan 0.000 0.444 337 R N 0.179 120.898 120.500 0.366 0.000 2.105 337 R HA -0.130 4.209 4.340 -0.002 0.000 0.239 337 R C 1.776 178.239 176.300 0.273 0.000 1.135 337 R CA 1.666 57.968 56.100 0.337 0.000 0.967 337 R CB -0.970 29.403 30.300 0.121 0.000 0.861 337 R HN 0.847 nan 8.270 nan 0.000 0.442 338 I N -2.119 118.501 120.570 0.082 0.000 3.810 338 I HA 0.177 4.346 4.170 -0.002 0.000 0.322 338 I C 0.404 176.645 176.117 0.207 0.000 1.288 338 I CA 0.390 61.736 61.300 0.077 0.000 1.143 338 I CB 0.409 38.249 38.000 -0.266 0.000 1.012 338 I HN -0.224 nan 8.210 nan 0.000 0.423 339 S N 0.467 116.288 115.700 0.201 0.000 2.819 339 S HA 0.182 4.650 4.470 -0.002 0.000 0.249 339 S C 0.502 175.041 174.600 -0.101 0.000 1.030 339 S CA -0.556 57.682 58.200 0.064 0.000 1.052 339 S CB 0.003 63.380 63.200 0.295 0.000 1.017 339 S HN 0.425 nan 8.310 nan 0.000 0.576 340 K N 1.493 121.720 120.400 -0.288 0.000 2.489 340 K HA 0.293 4.612 4.320 -0.002 0.000 0.278 340 K C 1.286 177.653 176.600 -0.389 0.000 1.000 340 K CA 1.381 57.250 56.287 -0.696 0.000 1.012 340 K CB -0.131 31.662 32.500 -1.178 0.000 0.903 340 K HN 0.211 nan 8.250 nan 0.000 0.485 341 G N 2.889 111.517 108.800 -0.287 0.000 2.225 341 G HA2 -0.240 3.719 3.960 -0.002 0.000 0.254 341 G HA3 -0.240 3.719 3.960 -0.002 0.000 0.254 341 G C -0.064 174.731 174.900 -0.175 0.000 0.988 341 G CA -0.014 44.968 45.100 -0.196 0.000 0.625 341 G HN 0.575 nan 8.290 nan 0.000 0.527 342 R N 1.481 121.859 120.500 -0.203 0.000 2.582 342 R HA 0.500 4.839 4.340 -0.002 0.000 0.271 342 R C 1.085 177.336 176.300 -0.081 0.000 1.078 342 R CA 0.457 56.432 56.100 -0.209 0.000 1.127 342 R CB 0.287 30.399 30.300 -0.313 0.000 1.038 342 R HN 0.561 nan 8.270 nan 0.000 0.500 343 T N -2.641 111.864 114.554 -0.081 0.000 2.828 343 T HA 0.108 4.456 4.350 -0.002 0.000 0.290 343 T C 1.690 176.367 174.700 -0.038 0.000 1.019 343 T CA -0.871 61.193 62.100 -0.060 0.000 1.031 343 T CB 0.811 69.621 68.868 -0.097 0.000 1.001 343 T HN 0.171 nan 8.240 nan 0.000 0.531 344 V N 1.542 121.422 119.914 -0.057 0.000 2.252 344 V HA -0.195 3.923 4.120 -0.002 0.000 0.249 344 V C 2.991 179.005 176.094 -0.132 0.000 1.056 344 V CA 2.462 64.725 62.300 -0.062 0.000 1.022 344 V CB -1.023 30.733 31.823 -0.112 0.000 0.641 344 V HN 0.988 nan 8.190 nan 0.000 0.445 345 R N -0.020 120.359 120.500 -0.202 0.000 2.092 345 R HA -0.200 4.138 4.340 -0.002 0.000 0.231 345 R C 2.312 178.519 176.300 -0.154 0.000 1.119 345 R CA 1.954 57.886 56.100 -0.280 0.000 0.970 345 R CB -0.268 29.843 30.300 -0.316 0.000 0.864 345 R HN 0.679 nan 8.270 nan 0.000 0.440 346 E N 0.610 120.771 120.200 -0.064 0.000 2.077 346 E HA -0.204 4.145 4.350 -0.002 0.000 0.193 346 E C 2.075 178.814 176.600 0.232 0.000 0.989 346 E CA 1.070 57.501 56.400 0.052 0.000 0.800 346 E CB -0.076 29.624 29.700 0.001 0.000 0.746 346 E HN 0.399 nan 8.360 nan 0.000 0.452 347 L N 0.411 121.756 121.223 0.203 0.000 2.046 347 L HA -0.215 4.124 4.340 -0.002 0.000 0.208 347 L C 2.366 179.376 176.870 0.233 0.000 1.077 347 L CA 1.410 56.456 54.840 0.343 0.000 0.747 347 L CB -0.289 41.914 42.059 0.240 0.000 0.896 347 L HN 0.433 nan 8.230 nan 0.000 0.432 348 C N -0.311 119.039 119.300 0.083 0.000 2.440 348 C HA -0.130 4.329 4.460 -0.002 0.000 0.278 348 C C 2.678 177.839 174.990 0.286 0.000 1.295 348 C CA 0.360 59.436 59.018 0.096 0.000 1.738 348 C CB -0.816 26.661 27.740 -0.439 0.000 1.987 348 C HN 0.491 nan 8.230 nan 0.000 0.492 349 L N 0.730 122.030 121.223 0.129 0.000 2.068 349 L HA 0.062 4.401 4.340 -0.002 0.000 0.204 349 L C 2.859 179.793 176.870 0.107 0.000 1.076 349 L CA 1.672 56.615 54.840 0.172 0.000 0.753 349 L CB -1.173 40.924 42.059 0.063 0.000 0.910 349 L HN 0.454 nan 8.230 nan 0.000 0.439 350 G N 0.884 109.736 108.800 0.086 0.000 2.404 350 G HA2 -0.284 3.675 3.960 -0.002 0.000 0.215 350 G HA3 -0.284 3.675 3.960 -0.002 0.000 0.215 350 G C 1.666 176.390 174.900 -0.294 0.000 1.174 350 G CA 0.992 46.025 45.100 -0.112 0.000 0.780 350 G HN 0.409 nan 8.290 nan 0.000 0.537 351 M N 0.100 119.573 119.600 -0.212 0.000 2.117 351 M HA 0.013 4.491 4.480 -0.002 0.000 0.262 351 M C 2.272 178.450 176.300 -0.202 0.000 1.065 351 M CA 1.653 56.816 55.300 -0.228 0.000 1.114 351 M CB -0.639 31.946 32.600 -0.025 0.000 1.361 351 M HN -0.011 nan 8.290 nan 0.000 0.408 352 V N 0.864 120.750 119.914 -0.046 0.000 2.515 352 V HA -0.171 3.948 4.120 -0.002 0.000 0.250 352 V C 2.554 178.540 176.094 -0.181 0.000 1.058 352 V CA 2.005 64.253 62.300 -0.086 0.000 1.064 352 V CB -0.563 31.227 31.823 -0.055 0.000 0.675 352 V HN 0.594 nan 8.190 nan 0.000 0.461 353 S N 0.487 116.101 115.700 -0.143 0.000 2.345 353 S HA -0.077 4.392 4.470 -0.002 0.000 0.220 353 S C 2.053 176.548 174.600 -0.175 0.000 1.031 353 S CA 1.413 59.525 58.200 -0.148 0.000 0.996 353 S CB -0.576 62.569 63.200 -0.090 0.000 0.882 353 S HN 0.663 nan 8.310 nan 0.000 0.445 354 G N 1.476 110.146 108.800 -0.216 0.000 2.394 354 G HA2 -0.051 3.907 3.960 -0.002 0.000 0.214 354 G HA3 -0.051 3.907 3.960 -0.002 0.000 0.214 354 G C 1.367 176.165 174.900 -0.170 0.000 1.176 354 G CA 0.386 45.389 45.100 -0.162 0.000 0.786 354 G HN 0.393 nan 8.290 nan 0.000 0.533 355 L N 0.866 121.819 121.223 -0.449 0.000 2.012 355 L HA -0.095 4.244 4.340 -0.002 0.000 0.210 355 L C 3.271 179.816 176.870 -0.543 0.000 1.073 355 L CA 1.824 56.176 54.840 -0.814 0.000 0.748 355 L CB -0.735 40.245 42.059 -1.797 0.000 0.891 355 L HN 0.430 nan 8.230 nan 0.000 0.431 356 T N -1.582 112.736 114.554 -0.392 0.000 2.951 356 T HA -0.055 4.294 4.350 -0.002 0.000 0.268 356 T C 1.912 176.548 174.700 -0.107 0.000 1.073 356 T CA 0.922 62.921 62.100 -0.168 0.000 1.134 356 T CB -0.074 68.522 68.868 -0.455 0.000 0.884 356 T HN 0.307 nan 8.240 nan 0.000 0.479 357 A N 1.402 124.198 122.820 -0.040 0.000 1.883 357 A HA 0.179 4.497 4.320 -0.002 0.000 0.217 357 A C 2.701 180.415 177.584 0.217 0.000 1.186 357 A CA 1.955 54.100 52.037 0.180 0.000 0.624 357 A CB -1.686 17.474 19.000 0.266 0.000 0.822 357 A HN 0.644 nan 8.150 nan 0.000 0.444 358 G N -0.598 108.188 108.800 -0.024 0.000 2.433 358 G HA2 -0.231 3.728 3.960 -0.002 0.000 0.216 358 G HA3 -0.231 3.728 3.960 -0.002 0.000 0.216 358 G C 1.803 176.714 174.900 0.019 0.000 1.186 358 G CA 2.333 47.183 45.100 -0.417 0.000 0.779 358 G HN 0.711 nan 8.290 nan 0.000 0.543 359 T N -2.902 111.825 114.554 0.289 0.000 2.857 359 T HA -0.131 4.218 4.350 -0.002 0.000 0.266 359 T C 2.051 177.168 174.700 0.696 0.000 1.048 359 T CA 1.152 63.600 62.100 0.579 0.000 1.139 359 T CB -0.349 68.958 68.868 0.731 0.000 0.874 359 T HN 0.270 nan 8.240 nan 0.000 0.455 360 W N 1.080 122.578 121.300 0.329 0.000 2.338 360 W HA 0.143 4.801 4.660 -0.002 0.000 0.304 360 W C 2.214 178.862 176.519 0.215 0.000 1.212 360 W CA -0.231 57.298 57.345 0.307 0.000 1.264 360 W CB -1.350 28.283 29.460 0.289 0.000 1.142 360 W HN 0.247 nan 8.180 nan 0.000 0.512 361 L N -0.057 121.363 121.223 0.329 0.000 2.017 361 L HA -0.159 4.180 4.340 -0.002 0.000 0.208 361 L C 2.214 179.172 176.870 0.147 0.000 1.073 361 L CA 1.791 56.704 54.840 0.122 0.000 0.745 361 L CB -0.956 41.137 42.059 0.056 0.000 0.894 361 L HN -0.119 nan 8.230 nan 0.000 0.432 362 I N -2.110 118.576 120.570 0.194 0.000 2.179 362 I HA -0.338 3.830 4.170 -0.002 0.000 0.242 362 I C 2.205 178.385 176.117 0.105 0.000 1.088 362 I CA 1.468 62.828 61.300 0.099 0.000 1.357 362 I CB -0.486 37.519 38.000 0.009 0.000 1.051 362 I HN 0.415 nan 8.210 nan 0.000 0.409 363 W N 0.817 122.193 121.300 0.127 0.000 2.518 363 W HA -0.119 4.540 4.660 -0.002 0.000 0.273 363 W C 2.848 179.474 176.519 0.180 0.000 1.247 363 W CA 1.658 59.094 57.345 0.152 0.000 1.288 363 W CB -0.381 29.202 29.460 0.205 0.000 1.107 363 W HN 0.302 nan 8.180 nan 0.000 0.586 364 T N -1.735 113.031 114.554 0.353 0.000 2.978 364 T HA -0.060 4.288 4.350 -0.002 0.000 0.262 364 T C 1.735 176.595 174.700 0.266 0.000 1.063 364 T CA 0.782 63.053 62.100 0.284 0.000 1.140 364 T CB -0.290 68.705 68.868 0.213 0.000 0.886 364 T HN -0.030 nan 8.240 nan 0.000 0.470 365 I N 0.712 121.405 120.570 0.205 0.000 2.193 365 I HA 0.015 4.184 4.170 -0.002 0.000 0.240 365 I C 2.524 178.766 176.117 0.208 0.000 1.084 365 I CA 1.109 62.541 61.300 0.220 0.000 1.365 365 I CB -0.238 37.868 38.000 0.176 0.000 1.064 365 I HN 0.210 nan 8.210 nan 0.000 0.410 366 L N 0.249 121.563 121.223 0.152 0.000 2.141 366 L HA -0.088 4.251 4.340 -0.002 0.000 0.209 366 L C 2.571 179.524 176.870 0.139 0.000 1.094 366 L CA 1.406 56.321 54.840 0.125 0.000 0.763 366 L CB -0.990 41.086 42.059 0.028 0.000 0.908 366 L HN 0.327 nan 8.230 nan 0.000 0.437 367 G N -0.519 108.395 108.800 0.190 0.000 2.430 367 G HA2 -0.111 3.848 3.960 -0.002 0.000 0.216 367 G HA3 -0.111 3.848 3.960 -0.002 0.000 0.216 367 G C 1.574 176.654 174.900 0.301 0.000 1.146 367 G CA 0.608 45.858 45.100 0.249 0.000 0.793 367 G HN 0.460 nan 8.290 nan 0.000 0.537 368 G N 0.772 109.787 108.800 0.359 0.000 2.421 368 G HA2 -0.201 3.758 3.960 -0.002 0.000 0.217 368 G HA3 -0.201 3.758 3.960 -0.002 0.000 0.217 368 G C 1.621 176.674 174.900 0.255 0.000 1.143 368 G CA 1.093 46.455 45.100 0.438 0.000 0.784 368 G HN 0.492 nan 8.290 nan 0.000 0.541 369 N N 0.649 119.462 118.700 0.189 0.000 2.080 369 N HA -0.104 4.634 4.740 -0.002 0.000 0.189 369 N C 2.228 177.765 175.510 0.044 0.000 1.036 369 N CA 2.125 55.235 53.050 0.099 0.000 0.846 369 N CB -0.649 37.908 38.487 0.116 0.000 1.015 369 N HN 0.141 nan 8.380 nan 0.000 0.423 370 T N 1.922 116.512 114.554 0.061 0.000 2.684 370 T HA -0.123 4.226 4.350 -0.002 0.000 0.267 370 T C 1.761 176.469 174.700 0.014 0.000 1.036 370 T CA 0.990 63.099 62.100 0.016 0.000 1.148 370 T CB -0.462 68.413 68.868 0.013 0.000 0.863 370 T HN 0.213 nan 8.240 nan 0.000 0.436 371 L N 1.197 122.451 121.223 0.052 0.000 2.013 371 L HA -0.184 4.155 4.340 -0.002 0.000 0.212 371 L C 2.322 179.131 176.870 -0.100 0.000 1.073 371 L CA 1.966 56.814 54.840 0.015 0.000 0.753 371 L CB -1.016 41.073 42.059 0.049 0.000 0.890 371 L HN 0.404 nan 8.230 nan 0.000 0.432 372 Q N -0.543 119.144 119.800 -0.189 0.000 2.084 372 Q HA -0.201 4.138 4.340 -0.002 0.000 0.202 372 Q C 2.340 178.237 176.000 -0.171 0.000 0.978 372 Q CA 1.593 57.212 55.803 -0.306 0.000 0.844 372 Q CB -0.084 28.434 28.738 -0.368 0.000 0.898 372 Q HN 0.549 nan 8.270 nan 0.000 0.426 373 L N 0.039 121.199 121.223 -0.105 0.000 2.083 373 L HA -0.193 4.146 4.340 -0.002 0.000 0.209 373 L C 2.207 179.042 176.870 -0.059 0.000 1.083 373 L CA 0.916 55.709 54.840 -0.078 0.000 0.752 373 L CB -0.373 41.646 42.059 -0.066 0.000 0.899 373 L HN 0.267 nan 8.230 nan 0.000 0.433 374 I N -0.573 119.977 120.570 -0.032 0.000 2.286 374 I HA -0.243 3.926 4.170 -0.002 0.000 0.245 374 I C 2.168 178.290 176.117 0.008 0.000 1.104 374 I CA 0.996 62.308 61.300 0.021 0.000 1.397 374 I CB -0.334 37.731 38.000 0.109 0.000 1.072 374 I HN 0.218 nan 8.210 nan 0.000 0.417 375 D N 0.732 121.111 120.400 -0.036 0.000 2.117 375 D HA -0.198 4.441 4.640 -0.002 0.000 0.197 375 D C 2.020 178.282 176.300 -0.064 0.000 0.987 375 D CA 1.410 55.378 54.000 -0.054 0.000 0.829 375 D CB -0.054 40.666 40.800 -0.133 0.000 0.961 375 D HN 0.409 nan 8.370 nan 0.000 0.460 376 Q N -0.156 119.594 119.800 -0.083 0.000 2.360 376 Q HA 0.095 4.433 4.340 -0.002 0.000 0.202 376 Q C -0.161 175.804 176.000 -0.058 0.000 0.915 376 Q CA -0.168 55.589 55.803 -0.077 0.000 0.943 376 Q CB 0.445 29.127 28.738 -0.094 0.000 1.064 376 Q HN 0.156 nan 8.270 nan 0.000 0.511 377 N N -0.129 118.540 118.700 -0.051 0.000 2.741 377 N HA -0.210 4.529 4.740 -0.002 0.000 0.250 377 N C 0.250 175.732 175.510 -0.046 0.000 1.115 377 N CA 0.523 53.545 53.050 -0.047 0.000 0.724 377 N CB -0.963 37.495 38.487 -0.047 0.000 1.090 377 N HN 0.241 nan 8.380 nan 0.000 0.558 378 I N 0.246 120.786 120.570 -0.050 0.000 2.394 378 I HA -0.032 4.137 4.170 -0.002 0.000 0.251 378 I C 1.286 177.374 176.117 -0.048 0.000 1.136 378 I CA 1.410 62.682 61.300 -0.047 0.000 1.425 378 I CB 0.038 38.008 38.000 -0.050 0.000 1.079 378 I HN 0.216 nan 8.210 nan 0.000 0.425 379 L N -0.575 120.615 121.223 -0.056 0.000 2.371 379 L HA 0.414 4.752 4.340 -0.002 0.000 0.262 379 L C -0.208 176.623 176.870 -0.065 0.000 1.006 379 L CA -0.712 54.089 54.840 -0.066 0.000 0.818 379 L CB 1.671 43.674 42.059 -0.094 0.000 1.354 379 L HN -0.110 nan 8.230 nan 0.000 0.415 380 N N 1.871 120.530 118.700 -0.068 0.000 2.707 380 N HA 0.341 5.079 4.740 -0.002 0.000 0.235 380 N C 0.505 175.948 175.510 -0.111 0.000 1.028 380 N CA -0.123 52.885 53.050 -0.069 0.000 0.906 380 N CB 1.037 39.494 38.487 -0.050 0.000 1.131 380 N HN 0.631 nan 8.380 nan 0.000 0.509 381 I N 3.521 123.982 120.570 -0.180 0.000 2.202 381 I HA -0.088 4.081 4.170 -0.002 0.000 0.242 381 I C -0.730 175.168 176.117 -0.365 0.000 1.091 381 I CA 0.712 61.795 61.300 -0.361 0.000 1.368 381 I CB -0.762 36.845 38.000 -0.654 0.000 1.058 381 I HN 0.383 nan 8.210 nan 0.000 0.410 382 P HA -0.239 nan 4.420 nan 0.000 0.215 382 P C 1.589 178.850 177.300 -0.065 0.000 1.157 382 P CA 1.597 64.647 63.100 -0.083 0.000 0.874 382 P CB -0.039 31.709 31.700 0.080 0.000 0.790 383 Q N -0.766 118.998 119.800 -0.060 0.000 2.050 383 Q HA -0.138 4.200 4.340 -0.002 0.000 0.202 383 Q C 2.200 178.164 176.000 -0.060 0.000 0.980 383 Q CA 1.332 57.103 55.803 -0.054 0.000 0.840 383 Q CB -0.685 28.028 28.738 -0.042 0.000 0.898 383 Q HN 0.166 nan 8.270 nan 0.000 0.424 384 L N 0.064 121.261 121.223 -0.044 0.000 2.079 384 L HA -0.230 4.108 4.340 -0.002 0.000 0.210 384 L C 2.265 179.149 176.870 0.024 0.000 1.081 384 L CA 1.001 55.866 54.840 0.042 0.000 0.752 384 L CB -0.337 41.716 42.059 -0.011 0.000 0.896 384 L HN 0.330 nan 8.230 nan 0.000 0.433 385 I N -0.498 120.033 120.570 -0.065 0.000 2.233 385 I HA -0.255 3.914 4.170 -0.002 0.000 0.243 385 I C 2.048 178.148 176.117 -0.029 0.000 1.093 385 I CA 1.104 62.377 61.300 -0.044 0.000 1.380 385 I CB -0.335 37.626 38.000 -0.066 0.000 1.067 385 I HN 0.212 nan 8.210 nan 0.000 0.413 386 D N 0.365 120.737 120.400 -0.046 0.000 2.149 386 D HA -0.245 4.394 4.640 -0.002 0.000 0.198 386 D C 2.074 178.299 176.300 -0.125 0.000 0.990 386 D CA 1.237 55.203 54.000 -0.057 0.000 0.839 386 D CB -0.147 40.625 40.800 -0.047 0.000 0.948 386 D HN 0.366 nan 8.370 nan 0.000 0.460 387 Q N -1.412 118.256 119.800 -0.219 0.000 2.033 387 Q HA -0.080 4.259 4.340 -0.002 0.000 0.196 387 Q C 1.208 176.918 176.000 -0.483 0.000 0.970 387 Q CA 1.132 56.654 55.803 -0.468 0.000 0.828 387 Q CB 0.148 28.406 28.738 -0.800 0.000 0.895 387 Q HN 0.406 nan 8.270 nan 0.000 0.440 388 Y N -1.708 118.564 120.300 -0.046 0.000 2.430 388 Y HA 0.393 4.942 4.550 -0.002 0.000 0.254 388 Y C 0.622 176.499 175.900 -0.038 0.000 1.088 388 Y CA -0.015 58.058 58.100 -0.045 0.000 1.267 388 Y CB 1.737 40.171 38.460 -0.043 0.000 1.204 388 Y HN 0.224 nan 8.280 nan 0.000 0.515 389 G N -0.117 108.739 108.800 0.093 0.000 2.570 389 G HA2 -0.158 3.800 3.960 -0.002 0.000 0.686 389 G HA3 -0.158 3.800 3.960 -0.002 0.000 0.686 389 G C 0.180 175.104 174.900 0.040 0.000 1.257 389 G CA -0.504 44.637 45.100 0.069 0.000 0.846 389 G HN -0.118 nan 8.290 nan 0.000 0.627 390 V N 1.288 121.229 119.914 0.045 0.000 2.343 390 V HA -0.085 4.034 4.120 -0.002 0.000 0.247 390 V C 0.419 176.407 176.094 -0.176 0.000 1.051 390 V CA 2.800 65.075 62.300 -0.042 0.000 1.036 390 V CB -1.104 30.761 31.823 0.070 0.000 0.654 390 V HN 0.624 nan 8.190 nan 0.000 0.451 391 P HA -0.183 nan 4.420 nan 0.000 0.217 391 P C 1.672 178.827 177.300 -0.242 0.000 1.148 391 P CA 1.347 64.361 63.100 -0.142 0.000 0.828 391 P CB -0.038 31.704 31.700 0.071 0.000 0.783 392 R N 0.582 121.000 120.500 -0.137 0.000 2.075 392 R HA -0.004 4.335 4.340 -0.002 0.000 0.232 392 R C 2.062 178.199 176.300 -0.271 0.000 1.126 392 R CA 1.920 57.914 56.100 -0.176 0.000 0.963 392 R CB -1.578 28.673 30.300 -0.080 0.000 0.858 392 R HN 0.030 nan 8.270 nan 0.000 0.435 393 A N 0.605 123.273 122.820 -0.253 0.000 1.940 393 A HA -0.123 4.196 4.320 -0.002 0.000 0.219 393 A C 2.306 179.615 177.584 -0.459 0.000 1.176 393 A CA 1.770 53.617 52.037 -0.316 0.000 0.631 393 A CB -0.649 18.158 19.000 -0.322 0.000 0.814 393 A HN 0.403 nan 8.150 nan 0.000 0.446 394 I N -1.057 119.157 120.570 -0.593 0.000 2.202 394 I HA -0.226 3.943 4.170 -0.002 0.000 0.242 394 I C 2.187 177.568 176.117 -1.227 0.000 1.091 394 I CA 1.081 61.856 61.300 -0.875 0.000 1.368 394 I CB -0.283 37.129 38.000 -0.982 0.000 1.058 394 I HN 0.214 nan 8.210 nan 0.000 0.410 395 I N 0.822 120.768 120.570 -1.041 0.000 2.335 395 I HA -0.277 3.892 4.170 -0.002 0.000 0.251 395 I C 2.386 178.144 176.117 -0.598 0.000 1.129 395 I CA 1.491 62.242 61.300 -0.916 0.000 1.402 395 I CB -0.456 37.234 38.000 -0.518 0.000 1.069 395 I HN 0.154 nan 8.210 nan 0.000 0.424 396 E N -0.221 119.699 120.200 -0.467 0.000 2.150 396 E HA -0.184 4.165 4.350 -0.002 0.000 0.193 396 E C 2.327 178.772 176.600 -0.258 0.000 0.985 396 E CA 1.621 57.843 56.400 -0.298 0.000 0.814 396 E CB -0.276 29.286 29.700 -0.230 0.000 0.752 396 E HN 0.618 nan 8.360 nan 0.000 0.466 397 T N -2.298 112.047 114.554 -0.348 0.000 2.867 397 T HA -0.139 4.209 4.350 -0.002 0.000 0.268 397 T C 1.489 176.171 174.700 -0.030 0.000 1.057 397 T CA 0.966 62.943 62.100 -0.204 0.000 1.136 397 T CB -0.401 68.338 68.868 -0.214 0.000 0.874 397 T HN 0.166 nan 8.240 nan 0.000 0.466 398 W N 1.965 123.098 121.300 -0.278 0.000 2.407 398 W HA 0.471 5.130 4.660 -0.003 0.000 0.305 398 W C 2.957 179.398 176.519 -0.130 0.000 1.196 398 W CA -0.102 57.090 57.345 -0.255 0.000 1.311 398 W CB -1.459 27.661 29.460 -0.567 0.000 1.135 398 W HN 0.413 nan 8.180 nan 0.000 0.514 399 A N 0.290 123.097 122.820 -0.022 0.000 2.209 399 A HA 0.229 4.547 4.320 -0.002 0.000 0.212 399 A C 2.059 179.651 177.584 0.014 0.000 1.158 399 A CA 1.475 53.447 52.037 -0.109 0.000 0.742 399 A CB -0.754 17.998 19.000 -0.414 0.000 0.790 399 A HN 0.100 nan 8.150 nan 0.000 0.472 400 A N -0.679 122.151 122.820 0.017 0.000 2.238 400 A HA 0.427 4.746 4.320 -0.002 0.000 0.208 400 A C 0.819 178.430 177.584 0.045 0.000 1.177 400 A CA -0.030 52.020 52.037 0.021 0.000 0.804 400 A CB -0.307 18.685 19.000 -0.014 0.000 0.823 400 A HN 0.443 nan 8.150 nan 0.000 0.482 401 L N 0.181 121.459 121.223 0.091 0.000 2.421 401 L HA 0.323 4.661 4.340 -0.002 0.000 0.263 401 L C -2.162 174.795 176.870 0.144 0.000 1.122 401 L CA -2.272 52.624 54.840 0.093 0.000 0.804 401 L CB 0.333 42.476 42.059 0.140 0.000 1.150 401 L HN -0.023 nan 8.230 nan 0.000 0.457 402 P HA -0.006 nan 4.420 nan 0.000 0.269 402 P C -0.077 177.442 177.300 0.365 0.000 1.211 402 P CA -0.151 63.059 63.100 0.183 0.000 0.781 402 P CB 0.229 31.995 31.700 0.110 0.000 0.877 403 L N -0.712 120.687 121.223 0.294 0.000 3.739 403 L HA -0.292 4.046 4.340 -0.002 0.000 0.442 403 L C 1.753 178.766 176.870 0.239 0.000 1.241 403 L CA 0.618 55.609 54.840 0.253 0.000 0.819 403 L CB -2.238 39.967 42.059 0.243 0.000 1.679 403 L HN 0.503 nan 8.230 nan 0.000 0.889 404 S N -0.031 115.801 115.700 0.221 0.000 2.378 404 S HA -0.271 4.197 4.470 -0.002 0.000 0.229 404 S C 1.691 176.426 174.600 0.224 0.000 1.052 404 S CA 2.598 60.926 58.200 0.214 0.000 1.084 404 S CB -0.034 63.293 63.200 0.212 0.000 0.950 404 S HN 0.659 nan 8.310 nan 0.000 0.440 405 T N 1.757 116.455 114.554 0.240 0.000 2.777 405 T HA 0.102 4.451 4.350 -0.002 0.000 0.266 405 T C 2.136 177.028 174.700 0.320 0.000 1.040 405 T CA 1.343 63.611 62.100 0.280 0.000 1.141 405 T CB -0.790 68.222 68.868 0.239 0.000 0.868 405 T HN 0.592 nan 8.240 nan 0.000 0.444 406 A N 1.303 124.255 122.820 0.220 0.000 1.902 406 A HA -0.125 4.194 4.320 -0.002 0.000 0.217 406 A C 2.553 180.204 177.584 0.112 0.000 1.181 406 A CA 2.086 54.210 52.037 0.146 0.000 0.623 406 A CB -1.296 17.681 19.000 -0.038 0.000 0.818 406 A HN 0.457 nan 8.150 nan 0.000 0.443 407 T N 0.166 114.782 114.554 0.104 0.000 2.720 407 T HA -0.154 4.195 4.350 -0.002 0.000 0.268 407 T C 1.909 176.737 174.700 0.214 0.000 1.037 407 T CA 1.718 63.898 62.100 0.134 0.000 1.144 407 T CB -0.259 68.826 68.868 0.363 0.000 0.864 407 T HN 0.295 nan 8.240 nan 0.000 0.444 408 M N -0.847 118.877 119.600 0.206 0.000 2.319 408 M HA 0.035 4.514 4.480 -0.002 0.000 0.265 408 M C 1.877 178.265 176.300 0.147 0.000 1.068 408 M CA 0.859 56.252 55.300 0.155 0.000 1.118 408 M CB -1.169 31.370 32.600 -0.101 0.000 1.395 408 M HN 0.407 nan 8.290 nan 0.000 0.435 409 W N 0.682 122.048 121.300 0.110 0.000 2.355 409 W HA -0.091 4.568 4.660 -0.003 0.000 0.309 409 W C 2.552 179.129 176.519 0.097 0.000 1.206 409 W CA 1.571 59.001 57.345 0.142 0.000 1.284 409 W CB -0.902 28.596 29.460 0.063 0.000 1.145 409 W HN 0.318 nan 8.180 nan 0.000 0.502 410 G N -0.198 108.716 108.800 0.191 0.000 2.491 410 G HA2 -0.317 3.642 3.960 -0.002 0.000 0.218 410 G HA3 -0.317 3.642 3.960 -0.002 0.000 0.218 410 G C 1.263 176.094 174.900 -0.117 0.000 1.180 410 G CA 1.166 46.229 45.100 -0.063 0.000 0.774 410 G HN 0.149 nan 8.290 nan 0.000 0.562 411 F N -0.122 119.794 119.950 -0.057 0.000 2.186 411 F HA 0.105 4.630 4.527 -0.002 0.000 0.299 411 F C 2.229 178.055 175.800 0.043 0.000 1.090 411 F CA 0.694 58.582 58.000 -0.187 0.000 1.307 411 F CB -0.656 38.061 39.000 -0.471 0.000 1.019 411 F HN 0.161 nan 8.300 nan 0.000 0.489 412 F N 1.029 121.087 119.950 0.180 0.000 2.069 412 F HA -0.222 4.303 4.527 -0.004 0.000 0.298 412 F C 2.164 178.091 175.800 0.212 0.000 1.113 412 F CA 1.462 59.556 58.000 0.158 0.000 1.214 412 F CB -0.905 38.076 39.000 -0.032 0.000 0.978 412 F HN -0.080 nan 8.300 nan 0.000 0.474 413 I N -0.284 120.243 120.570 -0.070 0.000 2.208 413 I HA -0.283 3.885 4.170 -0.002 0.000 0.245 413 I C 2.394 178.492 176.117 -0.031 0.000 1.097 413 I CA 1.116 62.326 61.300 -0.152 0.000 1.363 413 I CB -0.679 37.322 38.000 0.002 0.000 1.051 413 I HN 0.273 nan 8.210 nan 0.000 0.413 414 L N 0.866 122.084 121.223 -0.007 0.000 1.970 414 L HA -0.228 4.111 4.340 -0.002 0.000 0.212 414 L C 2.551 179.449 176.870 0.046 0.000 1.071 414 L CA 1.993 56.823 54.840 -0.016 0.000 0.751 414 L CB -0.785 41.225 42.059 -0.082 0.000 0.889 414 L HN 0.293 nan 8.230 nan 0.000 0.432 415 C N -1.003 118.372 119.300 0.125 0.000 2.419 415 C HA -0.135 4.324 4.460 -0.002 0.000 0.281 415 C C 2.582 177.676 174.990 0.173 0.000 1.336 415 C CA 0.639 59.755 59.018 0.163 0.000 1.770 415 C CB -1.478 26.430 27.740 0.281 0.000 1.929 415 C HN 0.655 nan 8.230 nan 0.000 0.509 416 F N 2.309 122.291 119.950 0.053 0.000 2.128 416 F HA -0.019 4.508 4.527 -0.001 0.000 0.295 416 F C 2.273 178.130 175.800 0.096 0.000 1.100 416 F CA 1.803 59.892 58.000 0.149 0.000 1.260 416 F CB -0.236 38.696 39.000 -0.114 0.000 1.009 416 F HN 0.197 nan 8.300 nan 0.000 0.476 417 I N -0.980 119.761 120.570 0.286 0.000 2.252 417 I HA -0.079 4.090 4.170 -0.002 0.000 0.245 417 I C 2.409 178.506 176.117 -0.033 0.000 1.102 417 I CA 1.359 62.748 61.300 0.149 0.000 1.385 417 I CB -1.701 36.356 38.000 0.097 0.000 1.064 417 I HN 0.118 nan 8.210 nan 0.000 0.414 418 A N 2.044 124.826 122.820 -0.064 0.000 1.917 418 A HA -0.205 4.113 4.320 -0.002 0.000 0.219 418 A C 2.345 179.781 177.584 -0.247 0.000 1.182 418 A CA 2.961 54.917 52.037 -0.135 0.000 0.633 418 A CB -1.436 17.502 19.000 -0.104 0.000 0.819 418 A HN 0.600 nan 8.150 nan 0.000 0.448 419 T N -0.875 113.448 114.554 -0.385 0.000 2.904 419 T HA -0.024 4.325 4.350 -0.002 0.000 0.267 419 T C 1.818 176.045 174.700 -0.789 0.000 1.059 419 T CA 1.124 62.775 62.100 -0.749 0.000 1.137 419 T CB -0.284 67.755 68.868 -1.382 0.000 0.879 419 T HN 0.149 nan 8.240 nan 0.000 0.467 420 V N 2.667 122.236 119.914 -0.576 0.000 2.261 420 V HA -0.197 3.922 4.120 -0.002 0.000 0.246 420 V C 3.099 179.075 176.094 -0.195 0.000 1.047 420 V CA 2.312 64.424 62.300 -0.312 0.000 1.015 420 V CB -1.216 30.576 31.823 -0.051 0.000 0.642 420 V HN 0.722 nan 8.190 nan 0.000 0.446 421 T N -1.536 112.921 114.554 -0.162 0.000 2.915 421 T HA -0.152 4.197 4.350 -0.002 0.000 0.269 421 T C 1.881 176.489 174.700 -0.153 0.000 1.071 421 T CA 1.661 63.686 62.100 -0.125 0.000 1.132 421 T CB -0.366 68.436 68.868 -0.110 0.000 0.878 421 T HN 0.397 nan 8.240 nan 0.000 0.479 422 L N 0.087 121.184 121.223 -0.209 0.000 2.044 422 L HA 0.063 4.401 4.340 -0.002 0.000 0.205 422 L C 2.445 179.215 176.870 -0.167 0.000 1.075 422 L CA 1.202 55.922 54.840 -0.201 0.000 0.747 422 L CB -0.369 41.545 42.059 -0.242 0.000 0.903 422 L HN 0.111 nan 8.230 nan 0.000 0.435 423 I N 0.577 121.023 120.570 -0.208 0.000 2.163 423 I HA -0.320 3.848 4.170 -0.002 0.000 0.243 423 I C 2.310 178.402 176.117 -0.041 0.000 1.085 423 I CA 1.805 63.029 61.300 -0.127 0.000 1.347 423 I CB -1.690 36.221 38.000 -0.147 0.000 1.044 423 I HN 0.467 nan 8.210 nan 0.000 0.408 424 N N 1.174 119.849 118.700 -0.041 0.000 2.036 424 N HA -0.181 4.558 4.740 -0.002 0.000 0.195 424 N C 1.860 177.392 175.510 0.037 0.000 1.037 424 N CA 2.184 55.243 53.050 0.014 0.000 0.855 424 N CB -0.117 38.370 38.487 -0.001 0.000 1.033 424 N HN 0.332 nan 8.380 nan 0.000 0.423 425 A N -0.304 122.505 122.820 -0.019 0.000 1.902 425 A HA -0.123 4.196 4.320 -0.002 0.000 0.217 425 A C 2.663 180.280 177.584 0.055 0.000 1.181 425 A CA 1.462 53.494 52.037 -0.009 0.000 0.623 425 A CB -1.132 17.817 19.000 -0.084 0.000 0.818 425 A HN 0.598 nan 8.150 nan 0.000 0.443 426 C N 0.025 119.330 119.300 0.007 0.000 2.436 426 C HA -0.117 4.342 4.460 -0.002 0.000 0.277 426 C C 3.454 178.466 174.990 0.036 0.000 1.241 426 C CA 1.546 60.566 59.018 0.003 0.000 1.721 426 C CB -1.275 26.449 27.740 -0.027 0.000 2.043 426 C HN 0.803 nan 8.230 nan 0.000 0.472 427 S N -0.051 115.696 115.700 0.079 0.000 2.382 427 S HA -0.268 4.201 4.470 -0.002 0.000 0.228 427 S C 1.752 176.433 174.600 0.135 0.000 1.027 427 S CA 1.721 59.997 58.200 0.127 0.000 0.991 427 S CB -1.093 62.197 63.200 0.151 0.000 0.823 427 S HN 0.707 nan 8.310 nan 0.000 0.469 428 Y N 2.906 123.226 120.300 0.033 0.000 2.097 428 Y HA -0.191 4.358 4.550 -0.002 0.000 0.282 428 Y C 2.622 178.526 175.900 0.008 0.000 1.152 428 Y CA 2.308 60.427 58.100 0.032 0.000 1.136 428 Y CB -1.044 37.429 38.460 0.022 0.000 0.975 428 Y HN 0.289 nan 8.280 nan 0.000 0.498 429 T N 1.420 116.070 114.554 0.160 0.000 2.746 429 T HA -0.193 4.156 4.350 -0.002 0.000 0.267 429 T C 1.971 176.589 174.700 -0.136 0.000 1.039 429 T CA 1.842 63.967 62.100 0.041 0.000 1.142 429 T CB -0.556 68.357 68.868 0.074 0.000 0.866 429 T HN 0.320 nan 8.240 nan 0.000 0.444 430 L N 0.696 121.789 121.223 -0.216 0.000 2.046 430 L HA -0.076 4.263 4.340 -0.002 0.000 0.208 430 L C 3.058 179.679 176.870 -0.415 0.000 1.077 430 L CA 1.186 55.720 54.840 -0.510 0.000 0.747 430 L CB -0.735 40.830 42.059 -0.822 0.000 0.896 430 L HN 0.239 nan 8.230 nan 0.000 0.432 431 A N -0.031 122.714 122.820 -0.126 0.000 1.845 431 A HA -0.218 4.100 4.320 -0.002 0.000 0.215 431 A C 2.304 179.861 177.584 -0.046 0.000 1.195 431 A CA 1.630 53.716 52.037 0.082 0.000 0.616 431 A CB -0.470 18.576 19.000 0.077 0.000 0.832 431 A HN 0.274 nan 8.150 nan 0.000 0.443 432 M N 0.372 119.837 119.600 -0.224 0.000 2.267 432 M HA -0.100 4.379 4.480 -0.002 0.000 0.263 432 M C 1.959 178.204 176.300 -0.092 0.000 1.063 432 M CA 1.588 56.758 55.300 -0.216 0.000 1.090 432 M CB -1.431 30.951 32.600 -0.364 0.000 1.392 432 M HN 0.399 nan 8.290 nan 0.000 0.422 433 S N -0.345 115.304 115.700 -0.086 0.000 2.501 433 S HA 0.001 4.470 4.470 -0.002 0.000 0.220 433 S C 1.697 176.296 174.600 -0.002 0.000 0.997 433 S CA 1.124 59.300 58.200 -0.040 0.000 0.919 433 S CB -0.080 63.089 63.200 -0.051 0.000 0.778 433 S HN 0.657 nan 8.310 nan 0.000 0.523 434 T N -2.271 112.309 114.554 0.043 0.000 3.044 434 T HA 0.352 4.701 4.350 -0.002 0.000 0.260 434 T C 0.404 175.229 174.700 0.209 0.000 1.019 434 T CA -0.316 61.890 62.100 0.177 0.000 0.921 434 T CB -0.418 68.671 68.868 0.369 0.000 1.053 434 T HN 0.170 nan 8.240 nan 0.000 0.533 435 C N 1.963 121.329 119.300 0.110 0.000 2.470 435 C HA 0.626 5.085 4.460 -0.002 0.000 0.341 435 C C 0.876 175.879 174.990 0.022 0.000 1.190 435 C CA -1.321 57.729 59.018 0.053 0.000 1.904 435 C CB 1.277 29.036 27.740 0.032 0.000 2.354 435 C HN 0.490 nan 8.230 nan 0.000 0.509 436 R N 1.245 121.746 120.500 0.002 0.000 2.698 436 R HA 0.123 4.462 4.340 -0.002 0.000 0.266 436 R C 0.273 176.575 176.300 0.003 0.000 1.026 436 R CA 0.144 56.246 56.100 0.004 0.000 1.102 436 R CB 0.245 30.541 30.300 -0.006 0.000 0.978 436 R HN 0.744 nan 8.270 nan 0.000 0.436 437 S N 3.387 119.093 115.700 0.009 0.000 2.626 437 S HA -0.020 4.449 4.470 -0.002 0.000 0.303 437 S C 0.449 175.051 174.600 0.003 0.000 1.256 437 S CA 0.365 58.570 58.200 0.008 0.000 1.069 437 S CB 0.061 63.270 63.200 0.014 0.000 0.807 437 S HN 0.380 nan 8.310 nan 0.000 0.500 438 M N 1.878 121.479 119.600 0.001 0.000 2.716 438 M HA 0.579 5.058 4.480 -0.002 0.000 0.307 438 M C -0.768 175.536 176.300 0.006 0.000 1.223 438 M CA -1.186 54.114 55.300 0.000 0.000 0.871 438 M CB 1.341 33.938 32.600 -0.004 0.000 1.739 438 M HN 0.159 nan 8.290 nan 0.000 0.475 439 K N 1.544 121.948 120.400 0.008 0.000 2.489 439 K HA 0.062 4.380 4.320 -0.002 0.000 0.278 439 K C -0.146 176.464 176.600 0.018 0.000 1.000 439 K CA 0.115 56.409 56.287 0.012 0.000 1.012 439 K CB 0.563 33.070 32.500 0.011 0.000 0.903 439 K HN 0.640 nan 8.250 nan 0.000 0.485 440 E N 0.460 120.671 120.200 0.018 0.000 2.436 440 E HA -0.056 4.293 4.350 -0.002 0.000 0.262 440 E C 0.827 177.446 176.600 0.033 0.000 1.063 440 E CA 0.889 57.303 56.400 0.023 0.000 0.944 440 E CB 0.267 29.977 29.700 0.018 0.000 0.950 440 E HN 0.737 nan 8.360 nan 0.000 0.444 441 G N 1.841 110.669 108.800 0.046 0.000 2.189 441 G HA2 -0.313 3.646 3.960 -0.002 0.000 0.267 441 G HA3 -0.313 3.646 3.960 -0.002 0.000 0.267 441 G C 0.083 175.024 174.900 0.067 0.000 0.975 441 G CA 0.303 45.437 45.100 0.057 0.000 0.644 441 G HN 0.782 nan 8.290 nan 0.000 0.537 442 A N 0.053 122.911 122.820 0.063 0.000 2.301 442 A HA 0.609 4.927 4.320 -0.002 0.000 0.312 442 A C 0.172 177.806 177.584 0.083 0.000 1.182 442 A CA -0.339 51.733 52.037 0.059 0.000 0.826 442 A CB 0.639 19.660 19.000 0.034 0.000 1.134 442 A HN 0.223 nan 8.150 nan 0.000 0.501 443 D N 2.324 122.780 120.400 0.093 0.000 2.372 443 D HA 0.323 4.962 4.640 -0.002 0.000 0.243 443 D C -2.111 174.217 176.300 0.046 0.000 1.121 443 D CA -0.294 53.776 54.000 0.116 0.000 0.898 443 D CB 0.777 41.653 40.800 0.125 0.000 1.202 443 D HN 0.278 nan 8.370 nan 0.000 0.428 444 P HA 0.214 nan 4.420 nan 0.000 0.274 444 P C -2.558 174.750 177.300 0.012 0.000 1.246 444 P CA -1.178 61.903 63.100 -0.031 0.000 0.795 444 P CB -0.349 31.289 31.700 -0.103 0.000 1.006 445 P HA 0.004 nan 4.420 nan 0.000 0.260 445 P C 0.913 178.231 177.300 0.031 0.000 1.185 445 P CA 0.501 63.607 63.100 0.009 0.000 0.763 445 P CB 0.079 31.773 31.700 -0.010 0.000 0.776 446 L N 2.833 124.074 121.223 0.030 0.000 2.046 446 L HA -0.178 4.161 4.340 -0.002 0.000 0.208 446 L C 2.112 179.009 176.870 0.045 0.000 1.077 446 L CA 1.472 56.340 54.840 0.047 0.000 0.747 446 L CB -0.793 41.290 42.059 0.040 0.000 0.896 446 L HN 0.405 nan 8.230 nan 0.000 0.432 447 L N -0.610 120.623 121.223 0.018 0.000 2.156 447 L HA -0.128 4.211 4.340 -0.002 0.000 0.208 447 L C 2.530 179.395 176.870 -0.008 0.000 1.095 447 L CA 0.448 55.289 54.840 0.003 0.000 0.770 447 L CB -0.283 41.764 42.059 -0.019 0.000 0.914 447 L HN 0.040 nan 8.230 nan 0.000 0.439 448 V N -0.184 119.734 119.914 0.007 0.000 2.295 448 V HA -0.302 3.817 4.120 -0.002 0.000 0.246 448 V C 2.634 178.791 176.094 0.106 0.000 1.049 448 V CA 1.933 64.253 62.300 0.034 0.000 1.024 448 V CB -0.613 31.285 31.823 0.126 0.000 0.648 448 V HN 0.449 nan 8.190 nan 0.000 0.447 449 R N -0.281 120.315 120.500 0.159 0.000 2.073 449 R HA -0.168 4.171 4.340 -0.002 0.000 0.234 449 R C 2.151 178.558 176.300 0.178 0.000 1.134 449 R CA 1.873 58.099 56.100 0.210 0.000 0.952 449 R CB -0.292 30.097 30.300 0.147 0.000 0.850 449 R HN 0.375 nan 8.270 nan 0.000 0.433 450 I N 0.490 121.124 120.570 0.108 0.000 2.252 450 I HA -0.082 4.087 4.170 -0.002 0.000 0.245 450 I C 2.403 178.557 176.117 0.061 0.000 1.102 450 I CA 1.668 63.022 61.300 0.090 0.000 1.385 450 I CB -1.049 36.993 38.000 0.069 0.000 1.064 450 I HN 0.366 nan 8.210 nan 0.000 0.414 451 G N -0.755 108.037 108.800 -0.013 0.000 2.442 451 G HA2 -0.277 3.681 3.960 -0.002 0.000 0.219 451 G HA3 -0.277 3.681 3.960 -0.002 0.000 0.219 451 G C 1.625 176.457 174.900 -0.115 0.000 1.141 451 G CA 0.591 45.620 45.100 -0.118 0.000 0.763 451 G HN 0.432 nan 8.290 nan 0.000 0.554 452 W N 1.332 122.645 121.300 0.022 0.000 2.418 452 W HA -0.028 4.630 4.660 -0.002 0.000 0.292 452 W C 3.246 179.766 176.519 0.002 0.000 1.213 452 W CA 1.190 58.529 57.345 -0.010 0.000 1.283 452 W CB -0.086 29.363 29.460 -0.018 0.000 1.119 452 W HN 0.300 nan 8.180 nan 0.000 0.542 453 S N -0.034 115.814 115.700 0.245 0.000 2.399 453 S HA -0.189 4.279 4.470 -0.002 0.000 0.231 453 S C 1.686 176.363 174.600 0.128 0.000 1.022 453 S CA 1.537 59.832 58.200 0.158 0.000 0.983 453 S CB -1.011 62.267 63.200 0.129 0.000 0.803 453 S HN 0.074 nan 8.310 nan 0.000 0.480 454 V N 1.498 121.476 119.914 0.107 0.000 2.358 454 V HA -0.046 4.072 4.120 -0.002 0.000 0.246 454 V C 2.487 178.631 176.094 0.083 0.000 1.047 454 V CA 1.645 63.992 62.300 0.079 0.000 1.035 454 V CB -0.806 31.043 31.823 0.044 0.000 0.658 454 V HN 0.499 nan 8.190 nan 0.000 0.452 455 L N -0.135 121.147 121.223 0.098 0.000 2.093 455 L HA -0.072 4.267 4.340 -0.002 0.000 0.208 455 L C 2.297 179.240 176.870 0.121 0.000 1.085 455 L CA 1.746 56.652 54.840 0.111 0.000 0.755 455 L CB -0.402 41.753 42.059 0.159 0.000 0.904 455 L HN 0.117 nan 8.230 nan 0.000 0.435 456 V N -0.104 119.890 119.914 0.134 0.000 2.427 456 V HA -0.167 3.951 4.120 -0.002 0.000 0.248 456 V C 2.567 178.711 176.094 0.083 0.000 1.051 456 V CA 1.658 64.014 62.300 0.093 0.000 1.048 456 V CB -1.408 30.461 31.823 0.076 0.000 0.666 456 V HN 0.623 nan 8.190 nan 0.000 0.456 457 G N -0.137 108.720 108.800 0.096 0.000 2.402 457 G HA2 -0.198 3.760 3.960 -0.002 0.000 0.216 457 G HA3 -0.198 3.760 3.960 -0.002 0.000 0.216 457 G C 1.574 176.529 174.900 0.092 0.000 1.162 457 G CA 0.893 46.056 45.100 0.105 0.000 0.777 457 G HN 0.473 nan 8.290 nan 0.000 0.539 458 I N 0.583 121.202 120.570 0.082 0.000 2.163 458 I HA -0.203 3.966 4.170 -0.002 0.000 0.243 458 I C 2.678 178.838 176.117 0.071 0.000 1.085 458 I CA 1.018 62.362 61.300 0.073 0.000 1.347 458 I CB -0.247 37.794 38.000 0.069 0.000 1.044 458 I HN 0.144 nan 8.210 nan 0.000 0.408 459 I N 0.703 121.315 120.570 0.070 0.000 2.208 459 I HA -0.252 3.917 4.170 -0.002 0.000 0.245 459 I C 2.656 178.809 176.117 0.060 0.000 1.097 459 I CA 1.677 63.013 61.300 0.061 0.000 1.363 459 I CB -0.871 37.161 38.000 0.054 0.000 1.051 459 I HN 0.294 nan 8.210 nan 0.000 0.413 460 G N 0.889 109.730 108.800 0.069 0.000 2.421 460 G HA2 -0.277 3.682 3.960 -0.002 0.000 0.216 460 G HA3 -0.277 3.682 3.960 -0.002 0.000 0.216 460 G C 1.637 176.584 174.900 0.078 0.000 1.171 460 G CA 0.731 45.876 45.100 0.076 0.000 0.775 460 G HN 0.290 nan 8.290 nan 0.000 0.543 461 I N 1.107 121.725 120.570 0.080 0.000 2.315 461 I HA -0.043 4.126 4.170 -0.002 0.000 0.248 461 I C 2.581 178.733 176.117 0.058 0.000 1.117 461 I CA 0.642 61.986 61.300 0.074 0.000 1.404 461 I CB -0.150 37.893 38.000 0.071 0.000 1.071 461 I HN 0.210 nan 8.210 nan 0.000 0.419 462 I N -0.499 120.103 120.570 0.053 0.000 2.179 462 I HA -0.307 3.861 4.170 -0.002 0.000 0.242 462 I C 2.407 178.544 176.117 0.034 0.000 1.088 462 I CA 1.318 62.643 61.300 0.041 0.000 1.357 462 I CB -0.515 37.509 38.000 0.041 0.000 1.051 462 I HN 0.194 nan 8.210 nan 0.000 0.409 463 L N 0.349 121.595 121.223 0.039 0.000 2.042 463 L HA -0.243 4.096 4.340 -0.002 0.000 0.210 463 L C 2.596 179.485 176.870 0.033 0.000 1.076 463 L CA 1.428 56.288 54.840 0.033 0.000 0.749 463 L CB -0.502 41.581 42.059 0.039 0.000 0.893 463 L HN 0.272 nan 8.230 nan 0.000 0.432 464 L N -0.606 120.646 121.223 0.048 0.000 2.017 464 L HA -0.201 4.138 4.340 -0.002 0.000 0.208 464 L C 2.888 179.779 176.870 0.036 0.000 1.073 464 L CA 1.192 56.065 54.840 0.055 0.000 0.745 464 L CB -0.710 41.400 42.059 0.085 0.000 0.894 464 L HN 0.242 nan 8.230 nan 0.000 0.432 465 A N 0.003 122.842 122.820 0.032 0.000 1.940 465 A HA -0.206 4.113 4.320 -0.002 0.000 0.219 465 A C 2.248 179.835 177.584 0.005 0.000 1.176 465 A CA 1.597 53.645 52.037 0.017 0.000 0.631 465 A CB -0.749 18.262 19.000 0.019 0.000 0.814 465 A HN 0.381 nan 8.150 nan 0.000 0.446 466 L N -1.282 119.944 121.223 0.005 0.000 2.141 466 L HA 0.108 4.447 4.340 -0.002 0.000 0.209 466 L C 1.391 178.255 176.870 -0.010 0.000 1.094 466 L CA 0.639 55.475 54.840 -0.007 0.000 0.763 466 L CB -0.854 41.200 42.059 -0.009 0.000 0.908 466 L HN 0.680 nan 8.230 nan 0.000 0.437 467 G N -1.042 107.758 108.800 -0.000 0.000 2.722 467 G HA2 0.229 4.188 3.960 -0.002 0.000 0.686 467 G HA3 0.229 4.188 3.960 -0.002 0.000 0.686 467 G C 0.156 175.054 174.900 -0.004 0.000 1.282 467 G CA -0.411 44.690 45.100 0.002 0.000 0.817 467 G HN 0.789 nan 8.290 nan 0.000 0.605 468 G N -0.585 108.224 108.800 0.015 0.000 2.725 468 G HA2 0.063 4.022 3.960 -0.002 0.000 0.220 468 G HA3 0.063 4.022 3.960 -0.002 0.000 0.220 468 G C 0.969 175.873 174.900 0.007 0.000 1.357 468 G CA 0.216 45.325 45.100 0.015 0.000 0.866 468 G HN 1.624 nan 8.290 nan 0.000 0.548 469 L N -0.744 120.473 121.223 -0.010 0.000 2.249 469 L HA 0.090 4.429 4.340 -0.002 0.000 0.207 469 L C 2.891 179.667 176.870 -0.157 0.000 1.090 469 L CA 1.350 56.174 54.840 -0.027 0.000 0.802 469 L CB -0.473 41.601 42.059 0.026 0.000 0.947 469 L HN 0.504 nan 8.230 nan 0.000 0.453 470 K N 0.740 120.997 120.400 -0.238 0.000 2.063 470 K HA -0.135 4.184 4.320 -0.002 0.000 0.208 470 K C -0.586 175.885 176.600 -0.214 0.000 1.048 470 K CA 1.673 57.745 56.287 -0.359 0.000 0.928 470 K CB -1.296 30.997 32.500 -0.344 0.000 0.713 470 K HN 0.143 nan 8.250 nan 0.000 0.442 471 P HA -0.070 nan 4.420 nan 0.000 0.217 471 P C 1.141 178.436 177.300 -0.007 0.000 1.150 471 P CA 1.093 64.166 63.100 -0.045 0.000 0.832 471 P CB 0.103 31.788 31.700 -0.024 0.000 0.787 472 I N -0.880 119.690 120.570 0.001 0.000 2.252 472 I HA -0.242 3.927 4.170 -0.002 0.000 0.245 472 I C 2.411 178.603 176.117 0.125 0.000 1.102 472 I CA 1.457 62.809 61.300 0.087 0.000 1.385 472 I CB -0.488 37.584 38.000 0.120 0.000 1.064 472 I HN -0.046 nan 8.210 nan 0.000 0.414 473 Q N -0.310 119.447 119.800 -0.072 0.000 2.167 473 Q HA -0.154 4.185 4.340 -0.002 0.000 0.202 473 Q C 2.066 178.119 176.000 0.089 0.000 0.970 473 Q CA 1.883 57.537 55.803 -0.248 0.000 0.855 473 Q CB -0.119 28.129 28.738 -0.816 0.000 0.911 473 Q HN 0.471 nan 8.270 nan 0.000 0.438 474 T N 0.373 114.977 114.554 0.083 0.000 3.014 474 T HA 0.034 4.382 4.350 -0.002 0.000 0.263 474 T C 1.861 176.634 174.700 0.122 0.000 1.078 474 T CA 0.807 63.001 62.100 0.157 0.000 1.135 474 T CB -0.046 68.894 68.868 0.121 0.000 0.895 474 T HN 0.323 nan 8.240 nan 0.000 0.480 475 A N 1.661 124.542 122.820 0.102 0.000 1.930 475 A HA 0.007 4.326 4.320 -0.002 0.000 0.217 475 A C 2.178 179.818 177.584 0.093 0.000 1.175 475 A CA 0.912 53.000 52.037 0.084 0.000 0.627 475 A CB -0.536 18.506 19.000 0.070 0.000 0.815 475 A HN 0.356 nan 8.150 nan 0.000 0.443 476 I N 0.339 121.010 120.570 0.167 0.000 2.202 476 I HA -0.182 3.987 4.170 -0.002 0.000 0.242 476 I C 2.380 178.571 176.117 0.124 0.000 1.091 476 I CA 1.113 62.520 61.300 0.178 0.000 1.368 476 I CB -0.970 37.298 38.000 0.447 0.000 1.058 476 I HN 0.236 nan 8.210 nan 0.000 0.410 477 I N 1.172 121.833 120.570 0.150 0.000 2.226 477 I HA -0.243 3.925 4.170 -0.002 0.000 0.245 477 I C 2.822 178.983 176.117 0.073 0.000 1.100 477 I CA 1.458 62.783 61.300 0.042 0.000 1.374 477 I CB -1.447 36.557 38.000 0.008 0.000 1.057 477 I HN 0.112 nan 8.210 nan 0.000 0.413 478 A N 1.191 124.066 122.820 0.091 0.000 1.858 478 A HA -0.127 4.191 4.320 -0.002 0.000 0.216 478 A C 2.526 180.165 177.584 0.091 0.000 1.190 478 A CA 2.031 54.126 52.037 0.095 0.000 0.617 478 A CB -1.425 17.627 19.000 0.086 0.000 0.827 478 A HN 0.420 nan 8.150 nan 0.000 0.443 479 G N -0.842 107.991 108.800 0.057 0.000 2.432 479 G HA2 0.034 3.993 3.960 -0.002 0.000 0.219 479 G HA3 0.034 3.993 3.960 -0.002 0.000 0.219 479 G C 1.483 176.414 174.900 0.050 0.000 1.135 479 G CA 1.276 46.392 45.100 0.027 0.000 0.767 479 G HN 0.752 nan 8.290 nan 0.000 0.550 480 G N 0.250 109.096 108.800 0.076 0.000 2.422 480 G HA2 -0.248 3.710 3.960 -0.002 0.000 0.218 480 G HA3 -0.248 3.710 3.960 -0.002 0.000 0.218 480 G C 1.854 176.918 174.900 0.274 0.000 1.146 480 G CA 1.309 46.507 45.100 0.164 0.000 0.769 480 G HN 0.452 nan 8.290 nan 0.000 0.547 481 C N 1.327 120.774 119.300 0.245 0.000 2.413 481 C HA -0.037 4.422 4.460 -0.002 0.000 0.277 481 C C 0.790 175.843 174.990 0.105 0.000 1.228 481 C CA 1.415 60.509 59.018 0.127 0.000 1.731 481 C CB -1.113 26.670 27.740 0.072 0.000 2.042 481 C HN 0.376 nan 8.230 nan 0.000 0.468 482 P HA -0.056 nan 4.420 nan 0.000 0.216 482 P C 1.465 178.863 177.300 0.162 0.000 1.153 482 P CA 1.328 64.450 63.100 0.038 0.000 0.848 482 P CB -0.320 31.337 31.700 -0.072 0.000 0.787 483 L N -2.451 118.859 121.223 0.144 0.000 2.465 483 L HA -0.070 4.269 4.340 -0.002 0.000 0.224 483 L C 2.313 179.233 176.870 0.083 0.000 1.145 483 L CA 0.786 55.716 54.840 0.150 0.000 0.834 483 L CB -0.922 41.223 42.059 0.143 0.000 0.944 483 L HN -0.058 nan 8.230 nan 0.000 0.451 484 F N 1.376 121.222 119.950 -0.174 0.000 2.065 484 F HA -0.307 4.219 4.527 -0.002 0.000 0.298 484 F C 2.079 177.675 175.800 -0.341 0.000 1.112 484 F CA 1.928 59.658 58.000 -0.450 0.000 1.212 484 F CB -0.250 38.255 39.000 -0.825 0.000 0.975 484 F HN -0.094 nan 8.300 nan 0.000 0.476 485 F N -0.544 119.492 119.950 0.143 0.000 2.293 485 F HA -0.066 4.459 4.527 -0.002 0.000 0.297 485 F C 2.207 178.007 175.800 -0.000 0.000 1.089 485 F CA 0.936 58.969 58.000 0.055 0.000 1.377 485 F CB -1.098 37.923 39.000 0.034 0.000 1.051 485 F HN -0.203 nan 8.300 nan 0.000 0.511 486 V N 0.326 120.345 119.914 0.175 0.000 2.307 486 V HA -0.267 3.851 4.120 -0.002 0.000 0.245 486 V C 2.107 178.247 176.094 0.075 0.000 1.045 486 V CA 1.836 64.200 62.300 0.106 0.000 1.024 486 V CB -0.674 31.218 31.823 0.116 0.000 0.651 486 V HN 0.283 nan 8.190 nan 0.000 0.449 487 N N 0.432 119.183 118.700 0.085 0.000 2.069 487 N HA -0.128 4.610 4.740 -0.002 0.000 0.191 487 N C 1.743 177.275 175.510 0.036 0.000 1.031 487 N CA 1.681 54.794 53.050 0.105 0.000 0.852 487 N CB -0.454 38.156 38.487 0.204 0.000 1.018 487 N HN 0.430 nan 8.380 nan 0.000 0.423 488 I N 0.623 121.184 120.570 -0.015 0.000 2.286 488 I HA -0.233 3.936 4.170 -0.002 0.000 0.248 488 I C 2.184 178.268 176.117 -0.055 0.000 1.115 488 I CA 0.925 62.168 61.300 -0.095 0.000 1.392 488 I CB -0.136 37.772 38.000 -0.153 0.000 1.065 488 I HN 0.119 nan 8.210 nan 0.000 0.418 489 M N -0.396 119.213 119.600 0.015 0.000 2.117 489 M HA -0.176 4.303 4.480 -0.002 0.000 0.262 489 M C 2.343 178.653 176.300 0.016 0.000 1.065 489 M CA 1.480 56.804 55.300 0.041 0.000 1.114 489 M CB -0.260 32.403 32.600 0.105 0.000 1.361 489 M HN 0.083 nan 8.290 nan 0.000 0.408 490 V N 0.155 120.068 119.914 -0.001 0.000 2.407 490 V HA -0.245 3.874 4.120 -0.002 0.000 0.248 490 V C 2.656 178.748 176.094 -0.002 0.000 1.055 490 V CA 2.269 64.555 62.300 -0.024 0.000 1.049 490 V CB -1.273 30.497 31.823 -0.089 0.000 0.662 490 V HN 0.659 nan 8.190 nan 0.000 0.455 491 T N -1.515 112.994 114.554 -0.075 0.000 2.857 491 T HA -0.081 4.268 4.350 -0.002 0.000 0.266 491 T C 1.893 176.506 174.700 -0.145 0.000 1.048 491 T CA 1.206 63.212 62.100 -0.156 0.000 1.139 491 T CB -0.357 68.223 68.868 -0.479 0.000 0.874 491 T HN 0.362 nan 8.240 nan 0.000 0.455 492 L N 1.089 122.229 121.223 -0.139 0.000 2.046 492 L HA -0.050 4.289 4.340 -0.002 0.000 0.208 492 L C 3.227 180.073 176.870 -0.039 0.000 1.077 492 L CA 1.423 56.197 54.840 -0.110 0.000 0.747 492 L CB -0.764 41.248 42.059 -0.078 0.000 0.896 492 L HN 0.369 nan 8.230 nan 0.000 0.432 493 S N -0.159 115.560 115.700 0.032 0.000 2.356 493 S HA -0.232 4.237 4.470 -0.002 0.000 0.223 493 S C 1.963 176.677 174.600 0.189 0.000 1.032 493 S CA 1.414 59.677 58.200 0.105 0.000 1.005 493 S CB -0.341 62.930 63.200 0.117 0.000 0.867 493 S HN 0.447 nan 8.310 nan 0.000 0.449 494 F N 2.037 122.028 119.950 0.068 0.000 2.134 494 F HA 0.011 4.537 4.527 -0.002 0.000 0.299 494 F C 1.761 177.457 175.800 -0.174 0.000 1.097 494 F CA 1.344 59.249 58.000 -0.158 0.000 1.264 494 F CB -0.545 38.238 39.000 -0.361 0.000 1.001 494 F HN 0.232 nan 8.300 nan 0.000 0.479 495 I N 0.396 120.684 120.570 -0.471 0.000 2.252 495 I HA -0.284 3.885 4.170 -0.002 0.000 0.245 495 I C 2.583 178.545 176.117 -0.259 0.000 1.102 495 I CA 1.627 62.647 61.300 -0.467 0.000 1.385 495 I CB -0.588 37.276 38.000 -0.227 0.000 1.064 495 I HN 0.153 nan 8.210 nan 0.000 0.414 496 K N 1.019 121.335 120.400 -0.140 0.000 2.002 496 K HA -0.273 4.045 4.320 -0.002 0.000 0.209 496 K C 1.798 178.390 176.600 -0.013 0.000 1.048 496 K CA 2.259 58.516 56.287 -0.050 0.000 0.930 496 K CB -0.139 32.353 32.500 -0.013 0.000 0.714 496 K HN 0.125 nan 8.250 nan 0.000 0.438 497 D N -0.306 120.102 120.400 0.013 0.000 2.123 497 D HA -0.124 4.515 4.640 -0.002 0.000 0.196 497 D C 1.639 178.002 176.300 0.105 0.000 0.992 497 D CA 1.445 55.538 54.000 0.155 0.000 0.833 497 D CB -0.044 40.944 40.800 0.313 0.000 0.954 497 D HN 0.371 nan 8.370 nan 0.000 0.455 498 A N 0.274 122.953 122.820 -0.234 0.000 2.015 498 A HA -0.169 4.150 4.320 -0.002 0.000 0.219 498 A C 2.006 179.665 177.584 0.125 0.000 1.163 498 A CA 1.161 53.038 52.037 -0.265 0.000 0.646 498 A CB -0.368 18.122 19.000 -0.851 0.000 0.806 498 A HN 0.173 nan 8.150 nan 0.000 0.448 499 K N -0.457 120.008 120.400 0.108 0.000 2.103 499 K HA -0.104 4.214 4.320 -0.002 0.000 0.207 499 K C 1.795 178.464 176.600 0.114 0.000 1.048 499 K CA 1.610 57.989 56.287 0.153 0.000 0.930 499 K CB -0.280 32.267 32.500 0.078 0.000 0.716 499 K HN 0.375 nan 8.250 nan 0.000 0.444 500 V N -0.020 119.923 119.914 0.049 0.000 2.426 500 V HA -0.126 3.993 4.120 -0.002 0.000 0.242 500 V C 1.290 177.297 176.094 -0.144 0.000 1.036 500 V CA 1.485 63.725 62.300 -0.099 0.000 1.044 500 V CB -0.368 31.306 31.823 -0.248 0.000 0.688 500 V HN 0.273 nan 8.190 nan 0.000 0.462 501 H N -3.137 116.024 119.070 0.153 0.000 2.551 501 H HA 0.107 4.662 4.556 -0.002 0.000 0.271 501 H C 0.811 176.311 175.328 0.286 0.000 0.984 501 H CA 0.143 56.288 56.048 0.160 0.000 1.164 501 H CB 0.236 30.052 29.762 0.091 0.000 1.437 501 H HN 0.369 nan 8.280 nan 0.000 0.550 502 W N 1.522 122.948 121.300 0.211 0.000 2.764 502 W HA 0.427 5.085 4.660 -0.002 0.000 0.427 502 W C -0.231 176.404 176.519 0.193 0.000 0.896 502 W CA -0.350 57.103 57.345 0.179 0.000 2.307 502 W CB 0.058 29.540 29.460 0.036 0.000 1.192 502 W HN -0.107 nan 8.180 nan 0.000 0.731 503 K N 0.000 120.593 120.400 0.321 0.000 2.780 503 K HA 0.000 4.319 4.320 -0.002 0.000 0.191 503 K CA 0.000 56.400 56.287 0.189 0.000 0.838 503 K CB 0.000 32.596 32.500 0.160 0.000 1.064 503 K HN 0.000 nan 8.250 nan 0.000 0.543