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 2nrb_1_A DATA FIRST_RESID 1 DATA SEQUENCE TKFYTDAVEA VKDIPNGATV LVGGFGLSGI PENLIGALLK TGVKELTAVS DATA SEQUENCE NNAGVDNFGL GLLLQSKQIK RMISSYVGEN AEFERQYLAG ELEVELTPQG DATA SEQUENCE TLAERIRAGG AGVPAFYTST GYGTLVQEGG SPIKYNKDGS IAIASKPREV DATA SEQUENCE REFNGQHFIL EEAIRGDFAL VKAWKADQAG NVTFRKSARN FNLPMCKAAE DATA SEQUENCE TTVVEVEEIV DIGSFAPEDI HIPKIYVHRL VKGEKYEKRI ERLSVRKXXX DATA SEQUENCE XXXXXXXXXX NVRERIIKRA ALEFEDGMYA NLGIGIPLLA SNFISPNMTV DATA SEQUENCE HLQSENGILG LGPYPLQNEV DADLINAGKE TVTVLPGASY FSSDESFAMI DATA SEQUENCE RGGHVNLTML GAMQVSKYGD LANWMIPGKL VKGMGGAMDL VSSAKTKVVV DATA SEQUENCE TMEHSAKGNA HKIMEKCTLP LTGKQCVNRI ITEKAVFDVD RKKGLTLIEL DATA SEQUENCE WEGLTVDDIK KSTGCDFAVS PKLIPMQQVT 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 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.865 174.700 0.276 0.000 1.109 1 T CA 0.000 62.216 62.100 0.193 0.000 1.349 1 T CB 0.000 68.954 68.868 0.143 0.000 0.612 2 K N 2.564 123.097 120.400 0.222 0.000 2.240 2 K HA 0.643 4.963 4.320 0.000 0.000 0.271 2 K C -1.107 175.638 176.600 0.242 0.000 1.018 2 K CA -0.605 55.819 56.287 0.227 0.000 0.874 2 K CB 0.472 33.063 32.500 0.151 0.000 1.098 2 K HN 0.342 nan 8.250 nan 0.000 0.458 3 F N 3.677 123.619 119.950 -0.012 0.000 2.394 3 F HA 0.327 4.855 4.527 0.000 0.000 0.340 3 F C -0.287 175.456 175.800 -0.095 0.000 1.105 3 F CA -0.217 57.813 58.000 0.050 0.000 1.124 3 F CB 0.638 39.653 39.000 0.026 0.000 1.145 3 F HN 0.412 nan 8.300 nan 0.000 0.505 4 Y N -0.335 120.061 120.300 0.160 0.000 2.549 4 Y HA 0.366 4.916 4.550 0.000 0.000 0.339 4 Y C 1.136 177.098 175.900 0.104 0.000 1.053 4 Y CA -0.887 57.278 58.100 0.109 0.000 1.105 4 Y CB 1.840 40.340 38.460 0.066 0.000 1.258 4 Y HN 0.598 nan 8.280 nan 0.000 0.478 5 T N -3.880 110.807 114.554 0.223 0.000 2.990 5 T HA 0.106 4.456 4.350 0.000 0.000 0.249 5 T C -0.086 174.691 174.700 0.127 0.000 1.039 5 T CA 0.121 62.310 62.100 0.148 0.000 1.036 5 T CB 0.334 69.259 68.868 0.095 0.000 0.994 5 T HN 0.533 nan 8.240 nan 0.000 0.489 6 D N 0.584 121.076 120.400 0.153 0.000 2.391 6 D HA 0.589 5.229 4.640 0.000 0.000 0.245 6 D C 1.088 177.436 176.300 0.081 0.000 1.069 6 D CA -0.289 53.771 54.000 0.099 0.000 0.831 6 D CB 2.197 43.048 40.800 0.086 0.000 1.204 6 D HN 0.104 nan 8.370 nan 0.000 0.503 7 A N 3.502 126.334 122.820 0.021 0.000 1.933 7 A HA -0.103 4.217 4.320 0.000 0.000 0.218 7 A C 2.166 179.715 177.584 -0.060 0.000 1.175 7 A CA 1.275 53.293 52.037 -0.033 0.000 0.628 7 A CB -0.435 18.537 19.000 -0.046 0.000 0.814 7 A HN 0.515 nan 8.150 nan 0.000 0.444 8 V N -0.096 119.797 119.914 -0.034 0.000 2.332 8 V HA -0.268 3.852 4.120 0.000 0.000 0.248 8 V C 2.539 178.612 176.094 -0.035 0.000 1.055 8 V CA 2.426 64.700 62.300 -0.043 0.000 1.038 8 V CB -0.763 31.046 31.823 -0.023 0.000 0.651 8 V HN 0.691 nan 8.190 nan 0.000 0.450 9 E N 0.576 120.789 120.200 0.021 0.000 2.118 9 E HA -0.187 4.163 4.350 0.000 0.000 0.195 9 E C 2.109 178.708 176.600 -0.002 0.000 0.992 9 E CA 1.515 57.972 56.400 0.094 0.000 0.804 9 E CB -0.430 29.415 29.700 0.241 0.000 0.741 9 E HN 0.564 nan 8.360 nan 0.000 0.458 10 A N -0.295 122.383 122.820 -0.236 0.000 2.119 10 A HA -0.030 4.290 4.320 0.000 0.000 0.217 10 A C 1.854 179.241 177.584 -0.329 0.000 1.153 10 A CA 1.411 53.029 52.037 -0.698 0.000 0.692 10 A CB -0.060 18.512 19.000 -0.713 0.000 0.799 10 A HN 0.328 nan 8.150 nan 0.000 0.458 11 V N -3.128 116.660 119.914 -0.210 0.000 3.330 11 V HA 0.175 4.295 4.120 0.000 0.000 0.309 11 V C 1.397 177.343 176.094 -0.247 0.000 1.481 11 V CA 0.533 62.683 62.300 -0.249 0.000 1.068 11 V CB -0.488 31.189 31.823 -0.244 0.000 0.935 11 V HN 0.564 nan 8.190 nan 0.000 0.453 12 K N 2.141 122.458 120.400 -0.137 0.000 2.280 12 K HA -0.164 4.156 4.320 0.000 0.000 0.202 12 K C 1.152 177.689 176.600 -0.105 0.000 1.047 12 K CA 1.911 58.139 56.287 -0.099 0.000 0.942 12 K CB -0.397 32.082 32.500 -0.034 0.000 0.739 12 K HN 0.636 nan 8.250 nan 0.000 0.457 13 D N 1.280 121.617 120.400 -0.105 0.000 2.328 13 D HA 0.018 4.658 4.640 0.000 0.000 0.226 13 D C 0.544 176.746 176.300 -0.164 0.000 1.066 13 D CA -0.225 53.747 54.000 -0.047 0.000 0.861 13 D CB -0.287 40.575 40.800 0.102 0.000 0.912 13 D HN 0.274 nan 8.370 nan 0.000 0.521 14 I N 2.782 123.068 120.570 -0.474 0.000 2.533 14 I HA 0.106 4.276 4.170 0.000 0.000 0.284 14 I C -1.761 174.220 176.117 -0.226 0.000 1.109 14 I CA -1.479 59.441 61.300 -0.634 0.000 1.412 14 I CB 0.627 38.161 38.000 -0.776 0.000 1.396 14 I HN -0.151 nan 8.210 nan 0.000 0.543 15 P HA 0.173 nan 4.420 nan 0.000 0.278 15 P C -1.026 176.250 177.300 -0.040 0.000 1.266 15 P CA -0.665 62.417 63.100 -0.030 0.000 0.807 15 P CB 0.671 32.388 31.700 0.029 0.000 1.094 16 N N -0.480 118.203 118.700 -0.029 0.000 2.508 16 N HA 0.249 4.989 4.740 0.000 0.000 0.264 16 N C 1.445 176.947 175.510 -0.013 0.000 1.216 16 N CA 1.056 54.089 53.050 -0.029 0.000 0.943 16 N CB -0.290 38.183 38.487 -0.023 0.000 1.113 16 N HN 0.800 nan 8.380 nan 0.000 0.447 17 G N -0.716 108.075 108.800 -0.015 0.000 2.162 17 G HA2 -0.236 3.724 3.960 0.000 0.000 0.260 17 G HA3 -0.236 3.724 3.960 0.000 0.000 0.260 17 G C 0.262 175.168 174.900 0.010 0.000 0.976 17 G CA 0.389 45.487 45.100 -0.004 0.000 0.655 17 G HN 0.904 nan 8.290 nan 0.000 0.533 18 A N -0.179 122.650 122.820 0.014 0.000 2.371 18 A HA 0.693 5.013 4.320 0.000 0.000 0.257 18 A C 0.682 178.295 177.584 0.047 0.000 1.089 18 A CA 0.961 53.032 52.037 0.056 0.000 0.794 18 A CB 0.506 19.555 19.000 0.083 0.000 1.029 18 A HN 0.697 nan 8.150 nan 0.000 0.488 19 T N 1.656 116.252 114.554 0.070 0.000 2.771 19 T HA 0.506 4.856 4.350 0.000 0.000 0.291 19 T C -0.472 174.277 174.700 0.081 0.000 0.954 19 T CA -0.106 62.023 62.100 0.048 0.000 1.045 19 T CB 0.588 69.478 68.868 0.036 0.000 0.917 19 T HN 0.460 nan 8.240 nan 0.000 0.484 20 V N 5.336 125.280 119.914 0.049 0.000 2.525 20 V HA 0.389 4.509 4.120 0.000 0.000 0.299 20 V C -0.153 175.956 176.094 0.026 0.000 1.034 20 V CA -1.001 61.340 62.300 0.070 0.000 0.863 20 V CB 1.658 33.504 31.823 0.039 0.000 0.999 20 V HN 0.756 nan 8.190 nan 0.000 0.423 21 L N 4.956 126.203 121.223 0.040 0.000 2.360 21 L HA 0.528 4.868 4.340 0.000 0.000 0.276 21 L C -0.492 176.386 176.870 0.014 0.000 1.121 21 L CA -0.360 54.491 54.840 0.018 0.000 0.845 21 L CB 1.096 43.176 42.059 0.034 0.000 1.143 21 L HN 0.382 nan 8.230 nan 0.000 0.452 22 V N 2.675 122.578 119.914 -0.018 0.000 2.407 22 V HA 0.424 4.544 4.120 0.000 0.000 0.291 22 V C 0.790 176.880 176.094 -0.007 0.000 1.018 22 V CA -0.658 61.632 62.300 -0.017 0.000 0.842 22 V CB 1.347 33.137 31.823 -0.055 0.000 0.996 22 V HN 0.905 nan 8.190 nan 0.000 0.426 23 G N 2.596 111.426 108.800 0.050 0.000 2.716 23 G HA2 0.559 4.519 3.960 0.000 0.000 0.251 23 G HA3 0.559 4.519 3.960 0.000 0.000 0.251 23 G C 0.321 175.278 174.900 0.095 0.000 1.224 23 G CA 0.458 45.622 45.100 0.105 0.000 0.891 23 G HN 1.726 nan 8.290 nan 0.000 0.561 24 G N -1.897 107.005 108.800 0.171 0.000 2.592 24 G HA2 0.362 4.322 3.960 0.000 0.000 0.685 24 G HA3 0.362 4.322 3.960 0.000 0.000 0.685 24 G C -1.144 173.907 174.900 0.251 0.000 1.278 24 G CA -0.412 44.795 45.100 0.179 0.000 0.822 24 G HN 1.318 nan 8.290 nan 0.000 0.652 25 F N 3.131 123.164 119.950 0.139 0.000 2.500 25 F HA 0.596 5.123 4.527 -0.000 0.000 0.349 25 F C 1.082 176.958 175.800 0.127 0.000 1.127 25 F CA 1.303 59.402 58.000 0.165 0.000 0.998 25 F CB 1.034 40.147 39.000 0.189 0.000 1.237 25 F HN 2.165 nan 8.300 nan 0.000 0.439 26 G N 4.997 113.629 108.800 -0.281 0.000 2.596 26 G HA2 -0.334 3.626 3.960 0.000 0.000 0.304 26 G HA3 -0.334 3.626 3.960 0.000 0.000 0.304 26 G C 0.495 175.419 174.900 0.040 0.000 1.189 26 G CA 0.429 45.454 45.100 -0.125 0.000 0.986 26 G HN 0.718 nan 8.290 nan 0.000 0.548 27 L N 1.950 123.238 121.223 0.108 0.000 2.667 27 L HA 0.349 4.689 4.340 0.000 0.000 0.232 27 L C 1.199 178.169 176.870 0.167 0.000 1.138 27 L CA 0.648 55.583 54.840 0.158 0.000 0.921 27 L CB 0.234 42.404 42.059 0.185 0.000 1.180 27 L HN 0.561 nan 8.230 nan 0.000 0.487 28 S N -0.473 115.334 115.700 0.179 0.000 2.457 28 S HA 0.559 5.029 4.470 0.000 0.000 0.289 28 S C 1.027 175.726 174.600 0.166 0.000 1.163 28 S CA 0.076 58.374 58.200 0.163 0.000 1.078 28 S CB 1.510 64.815 63.200 0.175 0.000 0.987 28 S HN 0.402 nan 8.310 nan 0.000 0.482 29 G N 2.558 111.434 108.800 0.127 0.000 2.176 29 G HA2 -0.231 3.729 3.960 0.000 0.000 0.252 29 G HA3 -0.231 3.729 3.960 0.000 0.000 0.252 29 G C -0.032 174.960 174.900 0.152 0.000 1.024 29 G CA 0.235 45.421 45.100 0.143 0.000 0.755 29 G HN 1.302 nan 8.290 nan 0.000 0.507 30 I N -1.831 118.822 120.570 0.139 0.000 2.532 30 I HA 0.595 4.765 4.170 0.000 0.000 0.292 30 I C -1.778 174.405 176.117 0.110 0.000 1.014 30 I CA -2.945 58.413 61.300 0.097 0.000 1.340 30 I CB 1.529 39.556 38.000 0.046 0.000 1.422 30 I HN -0.078 nan 8.210 nan 0.000 0.528 31 P HA 0.190 nan 4.420 nan 0.000 0.219 31 P C 0.058 177.351 177.300 -0.011 0.000 1.832 31 P CA -0.201 62.944 63.100 0.074 0.000 1.014 31 P CB 0.368 32.098 31.700 0.051 0.000 1.939 32 E N 0.998 121.184 120.200 -0.024 0.000 2.108 32 E HA -0.247 4.103 4.350 0.000 0.000 0.203 32 E C 1.633 178.137 176.600 -0.160 0.000 1.022 32 E CA 1.459 57.755 56.400 -0.172 0.000 0.823 32 E CB -0.251 29.383 29.700 -0.111 0.000 0.744 32 E HN 0.434 nan 8.360 nan 0.000 0.456 33 N N 0.633 119.251 118.700 -0.137 0.000 2.106 33 N HA -0.120 4.620 4.740 0.000 0.000 0.188 33 N C 2.097 177.548 175.510 -0.097 0.000 1.029 33 N CA 0.994 53.960 53.050 -0.140 0.000 0.848 33 N CB -0.238 38.145 38.487 -0.172 0.000 1.007 33 N HN 0.174 nan 8.380 nan 0.000 0.423 34 L N 0.973 122.155 121.223 -0.069 0.000 2.046 34 L HA -0.099 4.241 4.340 0.000 0.000 0.208 34 L C 2.336 179.149 176.870 -0.094 0.000 1.077 34 L CA 0.878 55.675 54.840 -0.071 0.000 0.747 34 L CB -0.471 41.563 42.059 -0.043 0.000 0.896 34 L HN 0.072 nan 8.230 nan 0.000 0.432 35 I N 0.137 120.642 120.570 -0.107 0.000 2.226 35 I HA -0.219 3.951 4.170 0.000 0.000 0.245 35 I C 2.650 178.690 176.117 -0.127 0.000 1.100 35 I CA 1.493 62.716 61.300 -0.130 0.000 1.374 35 I CB -0.775 37.123 38.000 -0.171 0.000 1.057 35 I HN 0.269 nan 8.210 nan 0.000 0.413 36 G N 0.361 109.084 108.800 -0.129 0.000 2.440 36 G HA2 -0.264 3.696 3.960 0.000 0.000 0.218 36 G HA3 -0.264 3.696 3.960 0.000 0.000 0.218 36 G C 1.859 176.708 174.900 -0.086 0.000 1.154 36 G CA 0.822 45.859 45.100 -0.104 0.000 0.767 36 G HN 0.498 nan 8.290 nan 0.000 0.552 37 A N 0.636 123.403 122.820 -0.087 0.000 1.940 37 A HA 0.054 4.374 4.320 0.000 0.000 0.219 37 A C 2.403 179.933 177.584 -0.089 0.000 1.176 37 A CA 1.280 53.268 52.037 -0.081 0.000 0.631 37 A CB -0.383 18.566 19.000 -0.086 0.000 0.814 37 A HN 0.359 nan 8.150 nan 0.000 0.446 38 L N -0.755 120.406 121.223 -0.102 0.000 2.201 38 L HA -0.143 4.197 4.340 0.000 0.000 0.212 38 L C 2.442 179.259 176.870 -0.089 0.000 1.105 38 L CA 0.799 55.575 54.840 -0.107 0.000 0.775 38 L CB -0.603 41.386 42.059 -0.117 0.000 0.913 38 L HN 0.399 nan 8.230 nan 0.000 0.440 39 L N -0.225 120.949 121.223 -0.081 0.000 2.131 39 L HA -0.230 4.110 4.340 0.000 0.000 0.210 39 L C 2.608 179.445 176.870 -0.055 0.000 1.092 39 L CA 1.418 56.218 54.840 -0.066 0.000 0.759 39 L CB -0.343 41.680 42.059 -0.060 0.000 0.903 39 L HN 0.263 nan 8.230 nan 0.000 0.435 40 K N -0.615 119.751 120.400 -0.055 0.000 2.076 40 K HA -0.095 4.225 4.320 0.000 0.000 0.204 40 K C 2.156 178.727 176.600 -0.048 0.000 1.051 40 K CA 1.723 57.982 56.287 -0.046 0.000 0.949 40 K CB -0.333 32.142 32.500 -0.042 0.000 0.726 40 K HN 0.399 nan 8.250 nan 0.000 0.443 41 T N -1.676 112.841 114.554 -0.062 0.000 2.833 41 T HA -0.054 4.296 4.350 0.000 0.000 0.269 41 T C 1.642 176.306 174.700 -0.059 0.000 1.054 41 T CA 1.182 63.243 62.100 -0.065 0.000 1.135 41 T CB -0.500 68.313 68.868 -0.092 0.000 0.869 41 T HN 0.411 nan 8.240 nan 0.000 0.466 42 G N 0.575 109.339 108.800 -0.060 0.000 2.155 42 G HA2 -0.242 3.718 3.960 0.000 0.000 0.257 42 G HA3 -0.242 3.718 3.960 0.000 0.000 0.257 42 G C 0.239 175.105 174.900 -0.057 0.000 0.983 42 G CA 0.184 45.253 45.100 -0.052 0.000 0.676 42 G HN 1.018 nan 8.290 nan 0.000 0.528 43 V N 1.631 121.501 119.914 -0.073 0.000 2.557 43 V HA 0.454 4.574 4.120 0.000 0.000 0.301 43 V C 0.957 177.011 176.094 -0.067 0.000 1.026 43 V CA 1.091 63.345 62.300 -0.077 0.000 1.137 43 V CB 0.443 32.199 31.823 -0.110 0.000 0.917 43 V HN 0.687 nan 8.190 nan 0.000 0.484 44 K N 4.057 124.425 120.400 -0.053 0.000 2.312 44 K HA 0.574 4.894 4.320 0.000 0.000 0.236 44 K C 0.125 176.701 176.600 -0.040 0.000 1.079 44 K CA -0.532 55.728 56.287 -0.046 0.000 0.900 44 K CB 1.173 33.652 32.500 -0.036 0.000 1.297 44 K HN 0.499 nan 8.250 nan 0.000 0.498 45 E N 0.177 120.355 120.200 -0.035 0.000 2.586 45 E HA -0.181 4.169 4.350 0.000 0.000 0.259 45 E C -0.698 175.883 176.600 -0.032 0.000 1.107 45 E CA 0.352 56.735 56.400 -0.029 0.000 0.754 45 E CB -1.393 28.296 29.700 -0.019 0.000 1.335 45 E HN 0.378 nan 8.360 nan 0.000 0.411 46 L N 0.341 121.537 121.223 -0.045 0.000 2.439 46 L HA 0.164 4.504 4.340 0.000 0.000 0.269 46 L C 0.792 177.633 176.870 -0.049 0.000 1.179 46 L CA 0.403 55.215 54.840 -0.048 0.000 0.828 46 L CB 0.737 42.756 42.059 -0.066 0.000 1.106 46 L HN -0.061 nan 8.230 nan 0.000 0.467 47 T N 2.656 117.188 114.554 -0.037 0.000 2.853 47 T HA 0.479 4.829 4.350 0.000 0.000 0.317 47 T C 0.008 174.680 174.700 -0.047 0.000 1.059 47 T CA -0.434 61.642 62.100 -0.040 0.000 0.954 47 T CB 0.939 69.794 68.868 -0.022 0.000 0.994 47 T HN 0.646 nan 8.240 nan 0.000 0.479 48 A N 3.731 126.505 122.820 -0.077 0.000 2.252 48 A HA 0.632 4.952 4.320 0.000 0.000 0.309 48 A C 0.067 177.594 177.584 -0.094 0.000 1.285 48 A CA -0.557 51.427 52.037 -0.088 0.000 0.900 48 A CB 0.437 19.362 19.000 -0.126 0.000 1.157 48 A HN 0.643 nan 8.150 nan 0.000 0.536 49 V N 2.885 122.755 119.914 -0.073 0.000 2.368 49 V HA 0.569 4.689 4.120 0.000 0.000 0.266 49 V C 0.429 176.448 176.094 -0.124 0.000 1.045 49 V CA 0.216 62.465 62.300 -0.084 0.000 0.899 49 V CB 0.579 32.374 31.823 -0.046 0.000 1.006 49 V HN 0.900 nan 8.190 nan 0.000 0.470 50 S N 3.388 118.982 115.700 -0.176 0.000 2.535 50 S HA 0.309 4.779 4.470 0.000 0.000 0.272 50 S C 0.674 175.095 174.600 -0.298 0.000 1.149 50 S CA -0.626 57.434 58.200 -0.233 0.000 0.888 50 S CB 1.629 64.727 63.200 -0.169 0.000 1.110 50 S HN 0.772 nan 8.310 nan 0.000 0.463 51 N N 3.565 121.971 118.700 -0.491 0.000 2.036 51 N HA -0.071 4.669 4.740 0.000 0.000 0.195 51 N C 0.301 175.710 175.510 -0.169 0.000 1.037 51 N CA 2.130 54.901 53.050 -0.464 0.000 0.855 51 N CB -0.120 38.079 38.487 -0.480 0.000 1.033 51 N HN 0.704 nan 8.380 nan 0.000 0.423 52 N N -2.452 116.174 118.700 -0.124 0.000 2.966 52 N HA 0.611 5.351 4.740 0.000 0.000 0.314 52 N C -1.268 174.243 175.510 0.003 0.000 1.397 52 N CA -0.379 52.672 53.050 0.003 0.000 0.776 52 N CB 1.473 39.929 38.487 -0.052 0.000 1.576 52 N HN 0.085 nan 8.380 nan 0.000 0.592 53 A N 0.032 122.901 122.820 0.081 0.000 2.911 53 A HA 0.664 4.984 4.320 0.000 0.000 0.304 53 A C 0.981 178.547 177.584 -0.031 0.000 1.144 53 A CA 0.160 52.119 52.037 -0.131 0.000 0.988 53 A CB -1.196 17.478 19.000 -0.543 0.000 1.141 53 A HN 0.921 nan 8.150 nan 0.000 0.552 54 G N -0.236 108.563 108.800 -0.002 0.000 2.622 54 G HA2 -0.156 3.804 3.960 0.000 0.000 0.307 54 G HA3 -0.156 3.804 3.960 0.000 0.000 0.307 54 G C 0.628 175.576 174.900 0.081 0.000 1.226 54 G CA 1.544 46.666 45.100 0.038 0.000 0.997 54 G HN 1.928 nan 8.290 nan 0.000 0.551 55 V N -3.583 116.393 119.914 0.105 0.000 3.105 55 V HA 0.739 4.859 4.120 0.000 0.000 0.311 55 V C 1.207 177.361 176.094 0.100 0.000 1.282 55 V CA 0.643 63.008 62.300 0.107 0.000 1.065 55 V CB 1.134 33.025 31.823 0.112 0.000 1.136 55 V HN 0.597 nan 8.190 nan 0.000 0.469 56 D N 1.574 122.027 120.400 0.088 0.000 2.123 56 D HA -0.148 4.492 4.640 0.000 0.000 0.196 56 D C 0.909 177.254 176.300 0.075 0.000 0.992 56 D CA 2.548 56.593 54.000 0.075 0.000 0.833 56 D CB -0.024 40.812 40.800 0.060 0.000 0.954 56 D HN 0.891 nan 8.370 nan 0.000 0.455 57 N N -1.097 117.665 118.700 0.104 0.000 2.338 57 N HA 0.106 4.846 4.740 0.000 0.000 0.251 57 N C -0.728 174.936 175.510 0.256 0.000 1.199 57 N CA -0.334 52.792 53.050 0.126 0.000 0.879 57 N CB 0.057 38.602 38.487 0.097 0.000 1.159 57 N HN -0.016 nan 8.380 nan 0.000 0.514 58 F N -0.349 119.600 119.950 -0.003 0.000 2.711 58 F HA 0.673 5.200 4.527 -0.000 0.000 0.313 58 F C 0.975 176.770 175.800 -0.008 0.000 1.141 58 F CA 0.404 58.403 58.000 -0.002 0.000 0.941 58 F CB 1.261 40.267 39.000 0.010 0.000 1.349 58 F HN 0.254 nan 8.300 nan 0.000 0.464 59 G N 2.127 110.612 108.800 -0.525 0.000 2.575 59 G HA2 -0.343 3.617 3.960 0.000 0.000 0.267 59 G HA3 -0.343 3.617 3.960 0.000 0.000 0.267 59 G C 0.739 175.508 174.900 -0.219 0.000 1.264 59 G CA 0.272 45.180 45.100 -0.320 0.000 0.935 59 G HN 1.085 nan 8.290 nan 0.000 0.568 60 L N 1.769 122.895 121.223 -0.162 0.000 2.349 60 L HA 0.092 4.432 4.340 0.000 0.000 0.220 60 L C 3.035 179.802 176.870 -0.172 0.000 1.130 60 L CA 2.542 57.277 54.840 -0.175 0.000 0.791 60 L CB -0.635 41.306 42.059 -0.195 0.000 0.918 60 L HN 0.895 nan 8.230 nan 0.000 0.444 61 G N -0.317 108.411 108.800 -0.121 0.000 2.469 61 G HA2 -0.287 3.673 3.960 0.000 0.000 0.220 61 G HA3 -0.287 3.673 3.960 0.000 0.000 0.220 61 G C 1.503 176.360 174.900 -0.072 0.000 1.136 61 G CA 1.079 46.132 45.100 -0.079 0.000 0.759 61 G HN 0.394 nan 8.290 nan 0.000 0.562 62 L N 0.036 121.213 121.223 -0.077 0.000 2.013 62 L HA -0.101 4.239 4.340 0.000 0.000 0.212 62 L C 2.789 179.612 176.870 -0.078 0.000 1.073 62 L CA 0.896 55.696 54.840 -0.066 0.000 0.753 62 L CB -0.509 41.494 42.059 -0.093 0.000 0.890 62 L HN 0.185 nan 8.230 nan 0.000 0.432 63 L N -0.717 120.441 121.223 -0.108 0.000 2.465 63 L HA -0.142 4.198 4.340 0.000 0.000 0.224 63 L C 2.296 179.102 176.870 -0.106 0.000 1.145 63 L CA 0.624 55.401 54.840 -0.106 0.000 0.834 63 L CB -0.363 41.622 42.059 -0.124 0.000 0.944 63 L HN 0.340 nan 8.230 nan 0.000 0.451 64 L N -1.087 120.066 121.223 -0.117 0.000 2.168 64 L HA -0.072 4.268 4.340 0.000 0.000 0.203 64 L C 2.717 179.555 176.870 -0.053 0.000 1.078 64 L CA 0.461 55.236 54.840 -0.109 0.000 0.780 64 L CB -0.318 41.651 42.059 -0.151 0.000 0.939 64 L HN 0.233 nan 8.230 nan 0.000 0.451 65 Q N 0.140 119.916 119.800 -0.040 0.000 2.135 65 Q HA -0.159 4.181 4.340 0.000 0.000 0.204 65 Q C 2.252 178.240 176.000 -0.020 0.000 0.981 65 Q CA 1.904 57.697 55.803 -0.016 0.000 0.856 65 Q CB -0.336 28.397 28.738 -0.008 0.000 0.902 65 Q HN 0.560 nan 8.270 nan 0.000 0.425 66 S N -0.361 115.320 115.700 -0.033 0.000 2.631 66 S HA 0.103 4.573 4.470 0.000 0.000 0.217 66 S C 0.233 174.813 174.600 -0.034 0.000 0.958 66 S CA -0.127 58.054 58.200 -0.032 0.000 0.920 66 S CB 0.205 63.381 63.200 -0.039 0.000 0.776 66 S HN 0.088 nan 8.310 nan 0.000 0.517 67 K N 0.829 121.208 120.400 -0.035 0.000 3.035 67 K HA -0.212 4.108 4.320 0.000 0.000 0.262 67 K C 0.596 177.171 176.600 -0.041 0.000 1.024 67 K CA 0.996 57.264 56.287 -0.032 0.000 0.748 67 K CB -2.468 30.022 32.500 -0.017 0.000 1.247 67 K HN 0.657 nan 8.250 nan 0.000 0.482 68 Q N -0.635 119.131 119.800 -0.056 0.000 2.408 68 Q HA 0.214 4.554 4.340 0.000 0.000 0.205 68 Q C 0.166 176.124 176.000 -0.069 0.000 0.919 68 Q CA 0.312 56.079 55.803 -0.061 0.000 0.932 68 Q CB 0.447 29.143 28.738 -0.069 0.000 1.058 68 Q HN 0.446 nan 8.270 nan 0.000 0.517 69 I N 1.106 121.627 120.570 -0.082 0.000 2.321 69 I HA 0.082 4.252 4.170 0.000 0.000 0.291 69 I C 0.958 177.033 176.117 -0.070 0.000 0.998 69 I CA -0.138 61.106 61.300 -0.093 0.000 1.227 69 I CB 1.374 39.288 38.000 -0.144 0.000 1.368 69 I HN -0.039 nan 8.210 nan 0.000 0.466 70 K N 5.926 126.292 120.400 -0.055 0.000 2.262 70 K HA 0.147 4.467 4.320 0.000 0.000 0.200 70 K C 0.606 177.185 176.600 -0.036 0.000 1.049 70 K CA 0.596 56.862 56.287 -0.034 0.000 0.979 70 K CB 0.529 33.014 32.500 -0.025 0.000 0.773 70 K HN 0.582 nan 8.250 nan 0.000 0.474 71 R N 0.449 120.914 120.500 -0.059 0.000 2.536 71 R HA 0.207 4.547 4.340 0.000 0.000 0.269 71 R C -1.533 174.710 176.300 -0.095 0.000 1.113 71 R CA -0.539 55.524 56.100 -0.062 0.000 0.948 71 R CB 1.087 31.363 30.300 -0.041 0.000 1.237 71 R HN -0.027 nan 8.270 nan 0.000 0.441 72 M N 5.367 124.900 119.600 -0.112 0.000 2.300 72 M HA 0.427 4.907 4.480 0.000 0.000 0.348 72 M C -0.482 175.774 176.300 -0.074 0.000 1.151 72 M CA -0.548 54.671 55.300 -0.134 0.000 1.046 72 M CB 1.396 33.874 32.600 -0.203 0.000 1.647 72 M HN 0.566 nan 8.290 nan 0.000 0.451 73 I N 2.447 122.972 120.570 -0.074 0.000 2.464 73 I HA 0.328 4.498 4.170 0.000 0.000 0.277 73 I C -0.443 175.632 176.117 -0.069 0.000 1.040 73 I CA -0.062 61.203 61.300 -0.059 0.000 1.153 73 I CB 0.848 38.817 38.000 -0.052 0.000 1.274 73 I HN 0.605 nan 8.210 nan 0.000 0.469 74 S N 1.823 117.501 115.700 -0.036 0.000 2.651 74 S HA 0.320 4.790 4.470 0.000 0.000 0.279 74 S C 0.588 175.177 174.600 -0.018 0.000 1.148 74 S CA -0.581 57.597 58.200 -0.037 0.000 0.837 74 S CB 2.046 65.288 63.200 0.070 0.000 1.138 74 S HN 0.637 nan 8.310 nan 0.000 0.478 75 S N -0.313 115.381 115.700 -0.010 0.000 2.483 75 S HA 0.268 4.738 4.470 0.000 0.000 0.221 75 S C -0.245 174.464 174.600 0.183 0.000 1.030 75 S CA 0.189 58.418 58.200 0.050 0.000 0.925 75 S CB -0.065 63.166 63.200 0.050 0.000 0.795 75 S HN 0.686 nan 8.310 nan 0.000 0.511 76 Y N 0.186 120.470 120.300 -0.027 0.000 2.390 76 Y HA 0.458 5.008 4.550 -0.000 0.000 0.324 76 Y C 0.375 176.242 175.900 -0.056 0.000 1.151 76 Y CA -1.265 56.816 58.100 -0.031 0.000 1.053 76 Y CB 1.419 39.872 38.460 -0.011 0.000 1.277 76 Y HN -0.147 nan 8.280 nan 0.000 0.432 77 V N 4.608 124.103 119.914 -0.698 0.000 2.453 77 V HA 0.044 4.164 4.120 0.000 0.000 0.247 77 V C 1.588 177.416 176.094 -0.442 0.000 1.048 77 V CA 1.942 63.821 62.300 -0.703 0.000 1.049 77 V CB -1.235 29.993 31.823 -0.992 0.000 0.672 77 V HN 1.232 nan 8.190 nan 0.000 0.457 78 G N 0.705 109.013 108.800 -0.821 0.000 2.564 78 G HA2 -0.296 3.664 3.960 0.000 0.000 0.273 78 G HA3 -0.296 3.664 3.960 0.000 0.000 0.273 78 G C 0.188 175.019 174.900 -0.115 0.000 1.242 78 G CA 0.260 45.227 45.100 -0.221 0.000 0.951 78 G HN 0.368 nan 8.290 nan 0.000 0.564 79 E N 1.637 121.846 120.200 0.015 0.000 2.301 79 E HA 0.050 4.400 4.350 0.000 0.000 0.195 79 E C 0.784 177.401 176.600 0.029 0.000 1.171 79 E CA -0.122 56.292 56.400 0.022 0.000 1.142 79 E CB -0.456 29.273 29.700 0.048 0.000 1.218 79 E HN 0.381 nan 8.360 nan 0.000 0.448 80 N N 0.907 119.625 118.700 0.030 0.000 2.645 80 N HA 0.140 4.880 4.740 0.000 0.000 0.233 80 N C 0.761 176.321 175.510 0.083 0.000 1.058 80 N CA 0.001 53.106 53.050 0.092 0.000 0.942 80 N CB 0.820 39.429 38.487 0.203 0.000 1.210 80 N HN -0.015 nan 8.380 nan 0.000 0.512 81 A N 3.019 125.872 122.820 0.056 0.000 1.884 81 A HA -0.241 4.079 4.320 0.000 0.000 0.219 81 A C 1.923 179.552 177.584 0.075 0.000 1.197 81 A CA 1.884 53.947 52.037 0.044 0.000 0.637 81 A CB -0.591 18.428 19.000 0.031 0.000 0.827 81 A HN 0.666 nan 8.150 nan 0.000 0.450 82 E N -0.968 119.287 120.200 0.092 0.000 2.085 82 E HA -0.187 4.163 4.350 0.000 0.000 0.194 82 E C 1.683 178.396 176.600 0.188 0.000 0.994 82 E CA 1.377 57.840 56.400 0.105 0.000 0.801 82 E CB -0.467 29.277 29.700 0.075 0.000 0.743 82 E HN 0.508 nan 8.360 nan 0.000 0.453 83 F N 1.707 121.662 119.950 0.009 0.000 2.075 83 F HA -0.108 4.419 4.527 0.000 0.000 0.297 83 F C 2.139 177.978 175.800 0.065 0.000 1.113 83 F CA 2.104 60.109 58.000 0.009 0.000 1.218 83 F CB -0.931 38.051 39.000 -0.030 0.000 0.984 83 F HN 0.207 nan 8.300 nan 0.000 0.472 84 E N 0.028 120.321 120.200 0.154 0.000 2.051 84 E HA -0.239 4.111 4.350 0.000 0.000 0.192 84 E C 2.585 179.254 176.600 0.116 0.000 0.991 84 E CA 0.974 57.405 56.400 0.052 0.000 0.799 84 E CB -0.306 29.369 29.700 -0.041 0.000 0.748 84 E HN 0.284 nan 8.360 nan 0.000 0.449 85 R N 0.420 120.978 120.500 0.097 0.000 2.094 85 R HA -0.225 4.115 4.340 0.000 0.000 0.239 85 R C 2.426 178.789 176.300 0.106 0.000 1.137 85 R CA 2.150 58.291 56.100 0.068 0.000 0.943 85 R CB -0.230 30.104 30.300 0.057 0.000 0.850 85 R HN 0.311 nan 8.270 nan 0.000 0.433 86 Q N -1.090 118.810 119.800 0.167 0.000 2.124 86 Q HA -0.216 4.124 4.340 0.000 0.000 0.202 86 Q C 1.912 178.077 176.000 0.275 0.000 0.977 86 Q CA 1.649 57.562 55.803 0.183 0.000 0.850 86 Q CB -0.200 28.642 28.738 0.173 0.000 0.901 86 Q HN 0.367 nan 8.270 nan 0.000 0.429 87 Y N 0.962 121.369 120.300 0.179 0.000 2.114 87 Y HA -0.200 4.350 4.550 0.000 0.000 0.284 87 Y C 1.726 177.800 175.900 0.290 0.000 1.143 87 Y CA 1.391 59.624 58.100 0.221 0.000 1.135 87 Y CB -0.555 38.009 38.460 0.173 0.000 0.980 87 Y HN 0.048 nan 8.280 nan 0.000 0.499 88 L N -0.163 121.095 121.223 0.059 0.000 2.131 88 L HA -0.175 4.165 4.340 0.000 0.000 0.210 88 L C 2.643 179.428 176.870 -0.142 0.000 1.092 88 L CA 1.168 55.852 54.840 -0.260 0.000 0.759 88 L CB -0.866 41.024 42.059 -0.282 0.000 0.903 88 L HN 0.280 nan 8.230 nan 0.000 0.435 89 A N -0.463 122.360 122.820 0.004 0.000 2.121 89 A HA 0.119 4.439 4.320 0.000 0.000 0.218 89 A C 1.835 179.461 177.584 0.071 0.000 1.154 89 A CA 1.044 53.092 52.037 0.018 0.000 0.679 89 A CB -0.564 18.457 19.000 0.035 0.000 0.795 89 A HN 0.557 nan 8.150 nan 0.000 0.458 90 G N -1.258 107.638 108.800 0.160 0.000 2.141 90 G HA2 -0.257 3.703 3.960 0.000 0.000 0.242 90 G HA3 -0.257 3.703 3.960 0.000 0.000 0.242 90 G C 0.510 175.489 174.900 0.131 0.000 0.982 90 G CA 0.718 45.925 45.100 0.178 0.000 0.662 90 G HN 0.567 nan 8.290 nan 0.000 0.527 91 E N -1.279 118.998 120.200 0.129 0.000 2.099 91 E HA 0.277 4.627 4.350 0.000 0.000 0.191 91 E C 0.976 177.634 176.600 0.096 0.000 0.962 91 E CA 0.355 56.811 56.400 0.093 0.000 0.826 91 E CB 0.349 30.094 29.700 0.076 0.000 0.788 91 E HN 0.391 nan 8.360 nan 0.000 0.461 92 L N 2.139 123.447 121.223 0.142 0.000 2.295 92 L HA 0.224 4.564 4.340 0.000 0.000 0.285 92 L C -0.779 176.178 176.870 0.145 0.000 1.035 92 L CA -0.318 54.595 54.840 0.121 0.000 0.806 92 L CB 1.138 43.281 42.059 0.141 0.000 1.214 92 L HN -0.095 nan 8.230 nan 0.000 0.426 93 E N 4.289 124.527 120.200 0.063 0.000 2.249 93 E HA 0.535 4.885 4.350 0.000 0.000 0.280 93 E C -1.182 175.393 176.600 -0.042 0.000 1.016 93 E CA -0.733 55.690 56.400 0.039 0.000 0.830 93 E CB 2.008 31.715 29.700 0.012 0.000 1.081 93 E HN 0.407 nan 8.360 nan 0.000 0.395 94 V N 2.663 122.493 119.914 -0.140 0.000 2.577 94 V HA 0.165 4.285 4.120 0.000 0.000 0.303 94 V C -0.573 175.410 176.094 -0.184 0.000 1.042 94 V CA -0.827 61.311 62.300 -0.269 0.000 0.872 94 V CB 1.829 33.179 31.823 -0.788 0.000 0.998 94 V HN 0.667 nan 8.190 nan 0.000 0.423 95 E N 4.708 124.847 120.200 -0.102 0.000 2.063 95 E HA 0.431 4.781 4.350 0.000 0.000 0.265 95 E C -0.896 175.674 176.600 -0.050 0.000 0.919 95 E CA -0.428 55.939 56.400 -0.055 0.000 0.756 95 E CB 1.458 31.136 29.700 -0.038 0.000 1.120 95 E HN 0.534 nan 8.360 nan 0.000 0.414 96 L N 3.137 124.343 121.223 -0.027 0.000 2.418 96 L HA 0.148 4.488 4.340 0.000 0.000 0.274 96 L C 0.136 176.986 176.870 -0.033 0.000 1.135 96 L CA 0.405 55.242 54.840 -0.004 0.000 0.870 96 L CB 0.319 42.441 42.059 0.106 0.000 1.154 96 L HN 0.414 nan 8.230 nan 0.000 0.462 97 T N 4.040 118.568 114.554 -0.044 0.000 2.848 97 T HA 0.345 4.695 4.350 0.000 0.000 0.285 97 T C -2.518 172.135 174.700 -0.078 0.000 0.995 97 T CA -1.556 60.508 62.100 -0.060 0.000 0.970 97 T CB 1.921 70.765 68.868 -0.039 0.000 0.976 97 T HN 0.234 nan 8.240 nan 0.000 0.441 98 P HA 0.061 nan 4.420 nan 0.000 0.261 98 P C 0.861 178.072 177.300 -0.149 0.000 1.183 98 P CA 0.173 63.188 63.100 -0.141 0.000 0.761 98 P CB 0.527 32.144 31.700 -0.138 0.000 0.785 99 Q N 3.358 123.055 119.800 -0.172 0.000 2.096 99 Q HA -0.225 4.115 4.340 0.000 0.000 0.208 99 Q C 2.114 177.780 176.000 -0.558 0.000 0.993 99 Q CA 2.424 58.124 55.803 -0.172 0.000 0.862 99 Q CB -0.725 27.988 28.738 -0.042 0.000 0.915 99 Q HN 0.685 nan 8.270 nan 0.000 0.416 100 G N -1.150 106.883 108.800 -1.278 0.000 2.408 100 G HA2 -0.219 3.741 3.960 0.000 0.000 0.217 100 G HA3 -0.219 3.741 3.960 0.000 0.000 0.217 100 G C 1.314 176.042 174.900 -0.287 0.000 1.150 100 G CA 1.206 45.577 45.100 -1.215 0.000 0.776 100 G HN 0.349 nan 8.290 nan 0.000 0.542 101 T N 0.946 115.421 114.554 -0.132 0.000 2.857 101 T HA -0.057 4.293 4.350 0.000 0.000 0.266 101 T C 2.235 177.008 174.700 0.120 0.000 1.048 101 T CA 0.917 63.068 62.100 0.084 0.000 1.139 101 T CB -0.189 68.720 68.868 0.067 0.000 0.874 101 T HN 0.118 nan 8.240 nan 0.000 0.455 102 L N 1.719 122.987 121.223 0.076 0.000 2.013 102 L HA -0.077 4.263 4.340 0.000 0.000 0.212 102 L C 2.567 179.601 176.870 0.273 0.000 1.073 102 L CA 2.095 57.028 54.840 0.154 0.000 0.753 102 L CB -1.067 41.071 42.059 0.131 0.000 0.890 102 L HN 0.232 nan 8.230 nan 0.000 0.432 103 A N -1.045 121.946 122.820 0.286 0.000 1.877 103 A HA -0.232 4.088 4.320 0.000 0.000 0.216 103 A C 2.272 179.849 177.584 -0.012 0.000 1.186 103 A CA 1.663 53.762 52.037 0.103 0.000 0.620 103 A CB -0.723 18.157 19.000 -0.200 0.000 0.822 103 A HN 0.521 nan 8.150 nan 0.000 0.443 104 E N 0.045 120.208 120.200 -0.063 0.000 2.150 104 E HA -0.120 4.230 4.350 0.000 0.000 0.193 104 E C 2.129 178.612 176.600 -0.194 0.000 0.985 104 E CA 1.241 57.463 56.400 -0.297 0.000 0.814 104 E CB -0.197 29.136 29.700 -0.611 0.000 0.752 104 E HN 0.596 nan 8.360 nan 0.000 0.466 105 R N -0.313 120.302 120.500 0.192 0.000 2.092 105 R HA 0.003 4.343 4.340 0.000 0.000 0.231 105 R C 2.403 178.788 176.300 0.141 0.000 1.119 105 R CA 1.363 57.663 56.100 0.333 0.000 0.970 105 R CB -0.287 30.169 30.300 0.261 0.000 0.864 105 R HN 0.263 nan 8.270 nan 0.000 0.440 106 I N 0.299 120.927 120.570 0.097 0.000 2.163 106 I HA -0.276 3.894 4.170 0.000 0.000 0.240 106 I C 2.779 178.900 176.117 0.006 0.000 1.081 106 I CA 1.155 62.493 61.300 0.064 0.000 1.353 106 I CB -0.283 37.781 38.000 0.106 0.000 1.054 106 I HN 0.128 nan 8.210 nan 0.000 0.407 107 R N 1.244 121.717 120.500 -0.043 0.000 2.096 107 R HA -0.250 4.090 4.340 0.000 0.000 0.240 107 R C 2.320 178.580 176.300 -0.067 0.000 1.139 107 R CA 1.947 57.991 56.100 -0.093 0.000 0.952 107 R CB -0.349 29.861 30.300 -0.150 0.000 0.854 107 R HN 0.395 nan 8.270 nan 0.000 0.436 108 A N 0.177 122.966 122.820 -0.052 0.000 1.940 108 A HA -0.096 4.224 4.320 0.000 0.000 0.219 108 A C 2.345 179.951 177.584 0.037 0.000 1.176 108 A CA 1.712 53.756 52.037 0.011 0.000 0.631 108 A CB -1.167 17.916 19.000 0.138 0.000 0.814 108 A HN 0.615 nan 8.150 nan 0.000 0.446 109 G N -0.870 107.954 108.800 0.040 0.000 2.450 109 G HA2 0.033 3.993 3.960 0.000 0.000 0.220 109 G HA3 0.033 3.993 3.960 0.000 0.000 0.220 109 G C 1.286 176.202 174.900 0.027 0.000 1.130 109 G CA 1.253 46.375 45.100 0.036 0.000 0.760 109 G HN 0.787 nan 8.290 nan 0.000 0.557 110 G N -0.493 108.313 108.800 0.009 0.000 3.020 110 G HA2 0.378 4.338 3.960 0.000 0.000 0.217 110 G HA3 0.378 4.338 3.960 0.000 0.000 0.217 110 G C 1.271 176.201 174.900 0.050 0.000 1.144 110 G CA 0.958 46.073 45.100 0.025 0.000 0.760 110 G HN 0.562 nan 8.290 nan 0.000 0.548 111 A N -0.157 122.678 122.820 0.025 0.000 2.345 111 A HA 0.522 4.842 4.320 0.000 0.000 0.225 111 A C 1.816 179.421 177.584 0.035 0.000 1.243 111 A CA 0.982 53.038 52.037 0.031 0.000 0.875 111 A CB -0.352 18.645 19.000 -0.004 0.000 0.929 111 A HN 1.374 nan 8.150 nan 0.000 0.502 112 G N -1.309 107.515 108.800 0.040 0.000 2.148 112 G HA2 -0.200 3.760 3.960 0.000 0.000 0.254 112 G HA3 -0.200 3.760 3.960 0.000 0.000 0.254 112 G C 0.085 175.006 174.900 0.034 0.000 0.981 112 G CA 0.228 45.350 45.100 0.036 0.000 0.670 112 G HN 0.877 nan 8.290 nan 0.000 0.528 113 V N 1.943 121.881 119.914 0.039 0.000 2.318 113 V HA 0.334 4.454 4.120 0.000 0.000 0.271 113 V C -0.148 175.988 176.094 0.069 0.000 1.030 113 V CA -0.690 61.642 62.300 0.054 0.000 0.844 113 V CB 1.516 33.373 31.823 0.058 0.000 1.015 113 V HN 0.174 nan 8.190 nan 0.000 0.460 114 P HA 0.094 nan 4.420 nan 0.000 0.225 114 P C 0.304 177.615 177.300 0.019 0.000 1.156 114 P CA 0.903 64.023 63.100 0.032 0.000 0.787 114 P CB 0.824 32.533 31.700 0.015 0.000 0.802 115 A N -0.806 122.028 122.820 0.023 0.000 2.599 115 A HA 0.633 4.953 4.320 0.000 0.000 0.294 115 A C -1.539 176.021 177.584 -0.039 0.000 1.055 115 A CA -0.662 51.323 52.037 -0.086 0.000 0.683 115 A CB 0.489 19.375 19.000 -0.190 0.000 1.278 115 A HN 0.106 nan 8.150 nan 0.000 0.412 116 F N -1.441 118.387 119.950 -0.204 0.000 2.686 116 F HA 0.838 5.365 4.527 0.000 0.000 0.311 116 F C -1.659 173.955 175.800 -0.311 0.000 1.128 116 F CA -1.336 56.546 58.000 -0.197 0.000 0.946 116 F CB 0.768 39.707 39.000 -0.101 0.000 1.336 116 F HN 0.503 nan 8.300 nan 0.000 0.457 117 Y N 0.304 120.608 120.300 0.006 0.000 2.387 117 Y HA 0.657 5.207 4.550 -0.000 0.000 0.330 117 Y C 0.460 176.484 175.900 0.207 0.000 1.133 117 Y CA -0.417 57.679 58.100 -0.006 0.000 1.152 117 Y CB 2.032 40.432 38.460 -0.099 0.000 1.215 117 Y HN 0.906 nan 8.280 nan 0.000 0.466 118 T N -0.483 114.356 114.554 0.476 0.000 2.894 118 T HA 0.242 4.592 4.350 0.000 0.000 0.309 118 T C 0.523 175.585 174.700 0.604 0.000 1.208 118 T CA -0.122 62.316 62.100 0.565 0.000 1.016 118 T CB 1.231 70.371 68.868 0.453 0.000 1.192 118 T HN 0.642 nan 8.240 nan 0.000 0.491 119 S N 1.926 117.920 115.700 0.489 0.000 2.478 119 S HA 0.120 4.590 4.470 0.000 0.000 0.222 119 S C 0.833 175.513 174.600 0.135 0.000 1.008 119 S CA 0.470 58.722 58.200 0.086 0.000 0.928 119 S CB -0.411 62.646 63.200 -0.239 0.000 0.781 119 S HN 0.800 nan 8.310 nan 0.000 0.518 120 T N 2.153 116.804 114.554 0.163 0.000 2.908 120 T HA 0.448 4.798 4.350 0.000 0.000 0.301 120 T C 1.347 176.097 174.700 0.084 0.000 1.019 120 T CA 0.892 63.056 62.100 0.106 0.000 1.152 120 T CB 0.340 69.264 68.868 0.093 0.000 0.966 120 T HN 0.936 nan 8.240 nan 0.000 0.540 121 G N 2.490 111.310 108.800 0.034 0.000 2.241 121 G HA2 -0.285 3.675 3.960 0.000 0.000 0.244 121 G HA3 -0.285 3.675 3.960 0.000 0.000 0.244 121 G C 0.100 175.022 174.900 0.036 0.000 0.998 121 G CA 0.038 45.132 45.100 -0.009 0.000 0.621 121 G HN 0.837 nan 8.290 nan 0.000 0.519 122 Y N 1.634 121.938 120.300 0.006 0.000 2.712 122 Y HA 0.312 4.863 4.550 0.000 0.000 0.333 122 Y C 1.639 177.541 175.900 0.003 0.000 1.225 122 Y CA 1.631 59.739 58.100 0.012 0.000 1.499 122 Y CB 0.570 39.036 38.460 0.010 0.000 1.288 122 Y HN 1.520 nan 8.280 nan 0.000 0.575 123 G N 3.094 111.320 108.800 -0.957 0.000 2.189 123 G HA2 -0.305 3.655 3.960 0.000 0.000 0.267 123 G HA3 -0.305 3.655 3.960 0.000 0.000 0.267 123 G C 0.277 175.045 174.900 -0.219 0.000 0.975 123 G CA 0.796 45.527 45.100 -0.615 0.000 0.644 123 G HN 1.187 nan 8.290 nan 0.000 0.537 124 T N -2.663 111.814 114.554 -0.129 0.000 2.870 124 T HA 0.704 5.054 4.350 0.000 0.000 0.277 124 T C 1.602 176.326 174.700 0.039 0.000 1.000 124 T CA -0.211 61.896 62.100 0.012 0.000 0.982 124 T CB 1.165 70.034 68.868 0.002 0.000 1.249 124 T HN 0.231 nan 8.240 nan 0.000 0.589 125 L N 0.673 121.995 121.223 0.165 0.000 2.353 125 L HA -0.039 4.301 4.340 0.000 0.000 0.220 125 L C 2.674 179.587 176.870 0.071 0.000 1.133 125 L CA 0.471 55.403 54.840 0.153 0.000 0.798 125 L CB -0.717 41.520 42.059 0.298 0.000 0.922 125 L HN 0.537 nan 8.230 nan 0.000 0.445 126 V N -0.384 119.533 119.914 0.005 0.000 2.307 126 V HA -0.280 3.840 4.120 0.000 0.000 0.245 126 V C 2.478 178.568 176.094 -0.008 0.000 1.045 126 V CA 1.873 64.155 62.300 -0.029 0.000 1.024 126 V CB -0.504 31.264 31.823 -0.091 0.000 0.651 126 V HN 0.534 nan 8.190 nan 0.000 0.449 127 Q N -0.361 119.434 119.800 -0.009 0.000 2.096 127 Q HA -0.168 4.172 4.340 0.000 0.000 0.197 127 Q C 2.183 178.184 176.000 0.002 0.000 0.964 127 Q CA 1.254 57.063 55.803 0.011 0.000 0.838 127 Q CB 0.032 28.771 28.738 0.002 0.000 0.906 127 Q HN 0.605 nan 8.270 nan 0.000 0.444 128 E N 0.026 120.218 120.200 -0.014 0.000 2.152 128 E HA 0.069 4.419 4.350 0.000 0.000 0.192 128 E C 0.921 177.527 176.600 0.010 0.000 0.983 128 E CA 0.944 57.339 56.400 -0.008 0.000 0.818 128 E CB 0.080 29.771 29.700 -0.015 0.000 0.758 128 E HN 0.483 nan 8.360 nan 0.000 0.467 129 G N -1.297 107.516 108.800 0.021 0.000 2.661 129 G HA2 0.079 4.039 3.960 0.000 0.000 0.685 129 G HA3 0.079 4.039 3.960 0.000 0.000 0.685 129 G C 0.588 175.510 174.900 0.037 0.000 1.298 129 G CA -0.121 44.993 45.100 0.024 0.000 0.855 129 G HN 0.624 nan 8.290 nan 0.000 0.560 130 G N -1.690 107.129 108.800 0.032 0.000 2.195 130 G HA2 0.057 4.017 3.960 0.000 0.000 0.246 130 G HA3 0.057 4.017 3.960 0.000 0.000 0.246 130 G C 0.945 175.878 174.900 0.055 0.000 0.984 130 G CA 1.527 46.648 45.100 0.035 0.000 0.633 130 G HN 2.310 nan 8.290 nan 0.000 0.525 131 S N 3.008 118.758 115.700 0.082 0.000 2.498 131 S HA 0.482 4.952 4.470 0.000 0.000 0.281 131 S C -1.645 172.992 174.600 0.062 0.000 1.265 131 S CA -0.517 57.763 58.200 0.133 0.000 1.071 131 S CB 0.766 64.068 63.200 0.169 0.000 0.894 131 S HN 0.332 nan 8.310 nan 0.000 0.491 132 P HA 0.079 nan 4.420 nan 0.000 0.266 132 P C 0.401 177.679 177.300 -0.037 0.000 1.215 132 P CA 0.175 63.184 63.100 -0.152 0.000 0.763 132 P CB 0.444 31.839 31.700 -0.507 0.000 0.806 133 I N 2.332 122.867 120.570 -0.059 0.000 2.729 133 I HA 0.073 4.243 4.170 0.000 0.000 0.256 133 I C 1.268 177.396 176.117 0.018 0.000 1.115 133 I CA 0.899 62.196 61.300 -0.004 0.000 1.446 133 I CB 0.177 38.168 38.000 -0.015 0.000 1.176 133 I HN 0.308 nan 8.210 nan 0.000 0.446 134 K N 0.294 120.655 120.400 -0.064 0.000 2.507 134 K HA 0.338 4.658 4.320 0.000 0.000 0.251 134 K C -1.614 174.932 176.600 -0.090 0.000 0.943 134 K CA -0.547 55.728 56.287 -0.019 0.000 0.794 134 K CB 1.554 34.070 32.500 0.027 0.000 1.188 134 K HN -0.222 nan 8.250 nan 0.000 0.428 135 Y N 1.323 121.666 120.300 0.072 0.000 2.307 135 Y HA 0.260 4.810 4.550 -0.000 0.000 0.324 135 Y C 0.811 176.716 175.900 0.008 0.000 1.238 135 Y CA -0.416 57.685 58.100 0.002 0.000 1.280 135 Y CB 0.849 39.270 38.460 -0.066 0.000 1.248 135 Y HN 0.508 nan 8.280 nan 0.000 0.508 136 N N 1.535 120.356 118.700 0.201 0.000 2.518 136 N HA 0.110 4.850 4.740 0.000 0.000 0.283 136 N C 0.655 176.207 175.510 0.070 0.000 1.119 136 N CA -0.271 52.840 53.050 0.101 0.000 0.983 136 N CB 1.218 39.746 38.487 0.069 0.000 1.139 136 N HN 0.602 nan 8.380 nan 0.000 0.465 137 K N 0.266 120.692 120.400 0.044 0.000 2.293 137 K HA -0.159 4.161 4.320 0.000 0.000 0.204 137 K C 0.382 176.976 176.600 -0.011 0.000 1.045 137 K CA 1.178 57.474 56.287 0.016 0.000 0.933 137 K CB 0.009 32.518 32.500 0.015 0.000 0.736 137 K HN 0.613 nan 8.250 nan 0.000 0.463 138 D N -0.945 119.451 120.400 -0.007 0.000 2.395 138 D HA 0.058 4.698 4.640 0.000 0.000 0.226 138 D C 1.069 177.343 176.300 -0.044 0.000 1.146 138 D CA 0.633 54.618 54.000 -0.024 0.000 0.830 138 D CB 0.551 41.344 40.800 -0.012 0.000 0.958 138 D HN 0.289 nan 8.370 nan 0.000 0.501 139 G N 1.110 109.866 108.800 -0.073 0.000 2.299 139 G HA2 -0.353 3.607 3.960 0.000 0.000 0.237 139 G HA3 -0.353 3.607 3.960 0.000 0.000 0.237 139 G C 0.636 175.505 174.900 -0.051 0.000 1.027 139 G CA 0.383 45.401 45.100 -0.137 0.000 0.619 139 G HN 0.712 nan 8.290 nan 0.000 0.513 140 S N 0.454 116.173 115.700 0.031 0.000 2.626 140 S HA 0.650 5.120 4.470 0.000 0.000 0.257 140 S C 0.463 175.183 174.600 0.199 0.000 1.288 140 S CA -0.154 58.099 58.200 0.087 0.000 0.980 140 S CB 1.009 64.238 63.200 0.048 0.000 0.975 140 S HN 0.749 nan 8.310 nan 0.000 0.577 141 I N 1.065 121.719 120.570 0.139 0.000 2.331 141 I HA 0.416 4.586 4.170 0.000 0.000 0.292 141 I C 1.003 177.142 176.117 0.037 0.000 0.998 141 I CA -0.666 60.684 61.300 0.083 0.000 1.267 141 I CB 1.403 39.409 38.000 0.011 0.000 1.386 141 I HN 0.859 nan 8.210 nan 0.000 0.476 142 A N 7.177 130.010 122.820 0.022 0.000 1.956 142 A HA 0.398 4.718 4.320 0.000 0.000 0.212 142 A C 0.844 178.428 177.584 -0.000 0.000 1.188 142 A CA 0.836 52.885 52.037 0.020 0.000 0.675 142 A CB 0.231 19.253 19.000 0.036 0.000 0.845 142 A HN 0.627 nan 8.150 nan 0.000 0.455 143 I N -0.226 120.330 120.570 -0.024 0.000 2.512 143 I HA 0.533 4.703 4.170 0.000 0.000 0.287 143 I C -0.306 175.786 176.117 -0.041 0.000 1.069 143 I CA -0.608 60.679 61.300 -0.022 0.000 1.056 143 I CB 2.043 40.036 38.000 -0.012 0.000 1.229 143 I HN 0.185 nan 8.210 nan 0.000 0.429 144 A N 4.240 127.046 122.820 -0.024 0.000 2.320 144 A HA 0.765 5.085 4.320 0.000 0.000 0.334 144 A C 0.194 177.775 177.584 -0.004 0.000 1.147 144 A CA -0.515 51.511 52.037 -0.018 0.000 0.820 144 A CB 1.148 20.144 19.000 -0.007 0.000 1.218 144 A HN 0.759 nan 8.150 nan 0.000 0.482 145 S N 1.670 117.374 115.700 0.008 0.000 2.584 145 S HA 0.327 4.797 4.470 0.000 0.000 0.270 145 S C -0.011 174.593 174.600 0.008 0.000 1.346 145 S CA -0.378 57.828 58.200 0.009 0.000 1.018 145 S CB 0.371 63.583 63.200 0.021 0.000 0.899 145 S HN 0.568 nan 8.310 nan 0.000 0.542 146 K N 1.620 122.022 120.400 0.003 0.000 2.087 146 K HA 0.529 4.849 4.320 0.000 0.000 0.255 146 K C -2.464 174.139 176.600 0.005 0.000 0.988 146 K CA -2.369 53.919 56.287 0.003 0.000 0.915 146 K CB 0.294 32.794 32.500 -0.001 0.000 1.043 146 K HN 0.519 nan 8.250 nan 0.000 0.457 147 P HA 0.229 nan 4.420 nan 0.000 0.277 147 P C -0.552 176.754 177.300 0.011 0.000 1.240 147 P CA -0.420 62.687 63.100 0.012 0.000 0.798 147 P CB 0.756 32.465 31.700 0.016 0.000 0.979 148 R N 1.626 122.137 120.500 0.019 0.000 2.407 148 R HA 0.316 4.656 4.340 0.000 0.000 0.303 148 R C 0.385 176.721 176.300 0.059 0.000 0.981 148 R CA -0.787 55.324 56.100 0.017 0.000 0.905 148 R CB 0.591 30.896 30.300 0.009 0.000 1.099 148 R HN 0.537 nan 8.270 nan 0.000 0.459 149 E N 0.970 121.207 120.200 0.061 0.000 2.442 149 E HA 0.066 4.416 4.350 0.000 0.000 0.262 149 E C -0.351 176.376 176.600 0.213 0.000 1.004 149 E CA 0.129 56.601 56.400 0.119 0.000 0.928 149 E CB 0.817 30.588 29.700 0.119 0.000 0.937 149 E HN 0.120 nan 8.360 nan 0.000 0.446 150 V N 3.517 123.565 119.914 0.223 0.000 2.547 150 V HA 0.504 4.624 4.120 0.000 0.000 0.299 150 V C -0.059 176.175 176.094 0.233 0.000 1.040 150 V CA -0.545 61.923 62.300 0.280 0.000 0.913 150 V CB 1.663 33.652 31.823 0.277 0.000 0.992 150 V HN 0.613 nan 8.190 nan 0.000 0.449 151 R N 2.461 123.090 120.500 0.214 0.000 2.626 151 R HA 0.468 4.808 4.340 0.000 0.000 0.274 151 R C -1.049 175.181 176.300 -0.116 0.000 1.031 151 R CA -0.597 55.466 56.100 -0.062 0.000 0.898 151 R CB 2.087 32.175 30.300 -0.353 0.000 1.222 151 R HN 0.847 nan 8.270 nan 0.000 0.455 152 E N 3.462 123.475 120.200 -0.311 0.000 2.216 152 E HA 0.337 4.687 4.350 0.000 0.000 0.279 152 E C -1.522 174.707 176.600 -0.617 0.000 0.997 152 E CA -0.471 55.732 56.400 -0.327 0.000 0.817 152 E CB 0.784 30.268 29.700 -0.361 0.000 1.096 152 E HN 0.367 nan 8.360 nan 0.000 0.393 153 F N 3.272 123.220 119.950 -0.003 0.000 2.562 153 F HA 0.284 4.811 4.527 0.000 0.000 0.319 153 F C -0.211 175.601 175.800 0.019 0.000 1.154 153 F CA -1.033 56.928 58.000 -0.064 0.000 0.931 153 F CB 1.619 40.468 39.000 -0.252 0.000 1.198 153 F HN 0.494 nan 8.300 nan 0.000 0.444 154 N N 2.535 121.291 118.700 0.095 0.000 2.688 154 N HA -0.208 4.532 4.740 0.000 0.000 0.258 154 N C 1.068 176.595 175.510 0.029 0.000 1.016 154 N CA 1.191 54.279 53.050 0.063 0.000 0.747 154 N CB -0.959 37.587 38.487 0.099 0.000 0.895 154 N HN 1.201 nan 8.380 nan 0.000 0.543 155 G N -0.910 107.860 108.800 -0.050 0.000 2.189 155 G HA2 -0.367 3.593 3.960 0.000 0.000 0.267 155 G HA3 -0.367 3.593 3.960 0.000 0.000 0.267 155 G C -0.113 174.674 174.900 -0.190 0.000 0.975 155 G CA 1.073 46.109 45.100 -0.106 0.000 0.644 155 G HN 0.755 nan 8.290 nan 0.000 0.537 156 Q N -0.477 119.217 119.800 -0.178 0.000 2.413 156 Q HA 0.600 4.940 4.340 0.000 0.000 0.276 156 Q C -0.838 174.863 176.000 -0.499 0.000 1.099 156 Q CA -0.880 54.714 55.803 -0.347 0.000 0.814 156 Q CB 1.274 29.851 28.738 -0.268 0.000 1.379 156 Q HN 0.549 nan 8.270 nan 0.000 0.436 157 H N 1.278 120.040 119.070 -0.512 0.000 2.502 157 H HA 0.452 5.008 4.556 0.000 0.000 0.327 157 H C -1.163 173.760 175.328 -0.675 0.000 1.099 157 H CA 0.192 55.874 56.048 -0.610 0.000 1.323 157 H CB 0.647 29.641 29.762 -1.280 0.000 1.450 157 H HN 0.326 nan 8.280 nan 0.000 0.502 158 F N 1.619 121.571 119.950 0.003 0.000 2.603 158 F HA 0.436 4.963 4.527 0.000 0.000 0.317 158 F C -0.091 175.906 175.800 0.328 0.000 1.066 158 F CA -1.221 56.893 58.000 0.190 0.000 0.941 158 F CB 1.445 40.621 39.000 0.293 0.000 1.291 158 F HN 0.378 nan 8.300 nan 0.000 0.472 159 I N 0.384 121.269 120.570 0.526 0.000 2.693 159 I HA 0.682 4.852 4.170 0.000 0.000 0.303 159 I C -1.440 174.780 176.117 0.173 0.000 1.025 159 I CA -1.209 60.312 61.300 0.368 0.000 1.086 159 I CB 2.052 40.187 38.000 0.224 0.000 1.268 159 I HN 0.464 nan 8.210 nan 0.000 0.440 160 L N 4.235 125.425 121.223 -0.056 0.000 2.278 160 L HA 0.427 4.767 4.340 0.000 0.000 0.287 160 L C -0.392 176.218 176.870 -0.432 0.000 1.072 160 L CA 0.537 55.056 54.840 -0.534 0.000 0.819 160 L CB 0.261 42.044 42.059 -0.460 0.000 1.176 160 L HN 0.561 nan 8.230 nan 0.000 0.435 161 E N 4.566 124.345 120.200 -0.703 0.000 2.187 161 E HA 0.343 4.693 4.350 0.000 0.000 0.268 161 E C -0.885 175.363 176.600 -0.586 0.000 0.896 161 E CA -0.480 55.561 56.400 -0.598 0.000 0.766 161 E CB 1.738 31.048 29.700 -0.651 0.000 1.142 161 E HN 0.606 nan 8.360 nan 0.000 0.408 162 E N 0.720 120.759 120.200 -0.268 0.000 2.283 162 E HA 0.491 4.841 4.350 0.000 0.000 0.271 162 E C -0.320 176.269 176.600 -0.018 0.000 1.031 162 E CA -0.750 55.564 56.400 -0.144 0.000 0.868 162 E CB 1.362 31.008 29.700 -0.090 0.000 1.094 162 E HN 0.534 nan 8.360 nan 0.000 0.401 163 A N 2.551 125.397 122.820 0.044 0.000 2.555 163 A HA 0.095 4.415 4.320 0.000 0.000 0.233 163 A C -0.120 177.500 177.584 0.060 0.000 1.060 163 A CA 0.390 52.484 52.037 0.095 0.000 0.759 163 A CB -0.047 18.999 19.000 0.076 0.000 0.995 163 A HN 0.531 nan 8.150 nan 0.000 0.506 164 I N 2.444 123.056 120.570 0.071 0.000 2.362 164 I HA 0.354 4.524 4.170 0.000 0.000 0.289 164 I C 0.360 176.501 176.117 0.040 0.000 0.994 164 I CA -0.136 61.192 61.300 0.047 0.000 1.158 164 I CB 1.253 39.283 38.000 0.050 0.000 1.315 164 I HN 0.661 nan 8.210 nan 0.000 0.451 165 R N 3.976 124.493 120.500 0.029 0.000 2.599 165 R HA 0.625 4.965 4.340 0.000 0.000 0.295 165 R C -0.249 176.064 176.300 0.021 0.000 0.963 165 R CA -0.723 55.392 56.100 0.024 0.000 0.883 165 R CB 2.427 32.740 30.300 0.021 0.000 1.171 165 R HN 0.762 nan 8.270 nan 0.000 0.450 166 G N 0.221 109.033 108.800 0.020 0.000 2.471 166 G HA2 0.127 4.087 3.960 0.000 0.000 0.332 166 G HA3 0.127 4.087 3.960 0.000 0.000 0.332 166 G C 0.078 174.985 174.900 0.012 0.000 1.176 166 G CA -0.438 44.681 45.100 0.031 0.000 0.949 166 G HN 0.520 nan 8.290 nan 0.000 0.488 167 D N -0.652 119.778 120.400 0.051 0.000 2.149 167 D HA 0.026 4.666 4.640 0.000 0.000 0.201 167 D C -0.098 176.053 176.300 -0.248 0.000 0.972 167 D CA 1.337 55.332 54.000 -0.008 0.000 0.835 167 D CB 0.183 41.107 40.800 0.206 0.000 0.966 167 D HN 0.169 nan 8.370 nan 0.000 0.476 168 F N -0.638 119.321 119.950 0.014 0.000 2.613 168 F HA 0.561 5.088 4.527 -0.000 0.000 0.314 168 F C -0.430 175.371 175.800 0.002 0.000 1.075 168 F CA -1.227 56.780 58.000 0.011 0.000 0.945 168 F CB 1.990 40.985 39.000 -0.008 0.000 1.310 168 F HN -0.313 nan 8.300 nan 0.000 0.467 169 A N 2.494 125.411 122.820 0.162 0.000 2.353 169 A HA 0.783 5.103 4.320 0.000 0.000 0.299 169 A C -1.639 176.001 177.584 0.093 0.000 1.089 169 A CA -0.560 51.531 52.037 0.090 0.000 0.736 169 A CB 0.792 19.812 19.000 0.034 0.000 1.195 169 A HN 0.714 nan 8.150 nan 0.000 0.447 170 L N 3.550 124.816 121.223 0.071 0.000 2.272 170 L HA 0.476 4.816 4.340 0.000 0.000 0.284 170 L C -0.768 176.139 176.870 0.062 0.000 1.045 170 L CA -0.715 54.156 54.840 0.051 0.000 0.842 170 L CB 1.055 43.124 42.059 0.017 0.000 1.224 170 L HN 0.403 nan 8.230 nan 0.000 0.430 171 V N 2.859 122.820 119.914 0.079 0.000 2.459 171 V HA 0.385 4.505 4.120 0.000 0.000 0.295 171 V C 0.041 176.224 176.094 0.149 0.000 1.029 171 V CA -0.761 61.614 62.300 0.125 0.000 0.874 171 V CB 2.105 34.010 31.823 0.136 0.000 0.985 171 V HN 0.557 nan 8.190 nan 0.000 0.438 172 K N 3.868 124.387 120.400 0.199 0.000 2.185 172 K HA 0.835 5.155 4.320 0.000 0.000 0.269 172 K C -0.562 176.188 176.600 0.249 0.000 0.987 172 K CA -0.004 56.402 56.287 0.199 0.000 0.865 172 K CB 1.438 34.054 32.500 0.193 0.000 1.090 172 K HN 0.888 nan 8.250 nan 0.000 0.450 173 A N 3.303 126.169 122.820 0.077 0.000 2.532 173 A HA 0.478 4.798 4.320 0.000 0.000 0.290 173 A C -0.550 176.995 177.584 -0.066 0.000 1.143 173 A CA -0.784 51.132 52.037 -0.201 0.000 0.728 173 A CB 0.264 18.944 19.000 -0.533 0.000 1.317 173 A HN 0.920 nan 8.150 nan 0.000 0.414 174 W N 0.885 121.987 121.300 -0.330 0.000 2.444 174 W HA 0.273 4.933 4.660 0.000 0.000 0.308 174 W C 0.122 176.560 176.519 -0.135 0.000 1.183 174 W CA 1.218 58.447 57.345 -0.193 0.000 1.340 174 W CB 0.031 29.412 29.460 -0.131 0.000 1.138 174 W HN 0.585 nan 8.180 nan 0.000 0.510 175 K N -0.931 119.358 120.400 -0.186 0.000 2.509 175 K HA 0.650 4.970 4.320 0.000 0.000 0.266 175 K C -1.389 175.197 176.600 -0.024 0.000 0.987 175 K CA -0.732 55.433 56.287 -0.203 0.000 0.868 175 K CB 2.054 34.344 32.500 -0.350 0.000 1.421 175 K HN -0.197 nan 8.250 nan 0.000 0.444 176 A N 1.338 124.205 122.820 0.079 0.000 2.449 176 A HA 0.529 4.849 4.320 0.000 0.000 0.302 176 A C -1.451 176.240 177.584 0.180 0.000 1.048 176 A CA -0.767 51.367 52.037 0.162 0.000 0.708 176 A CB 1.007 20.040 19.000 0.056 0.000 1.274 176 A HN 0.797 nan 8.150 nan 0.000 0.410 177 D N 0.703 121.259 120.400 0.259 0.000 2.432 177 D HA 0.260 4.900 4.640 0.000 0.000 0.258 177 D C 0.625 177.005 176.300 0.133 0.000 1.146 177 D CA -0.437 53.538 54.000 -0.040 0.000 1.015 177 D CB 0.547 41.201 40.800 -0.242 0.000 1.107 177 D HN 0.430 nan 8.370 nan 0.000 0.529 178 Q N -0.831 118.990 119.800 0.035 0.000 2.508 178 Q HA -0.007 4.333 4.340 0.000 0.000 0.214 178 Q C 1.551 177.623 176.000 0.120 0.000 0.979 178 Q CA 1.265 57.091 55.803 0.038 0.000 0.911 178 Q CB -0.141 28.525 28.738 -0.121 0.000 0.969 178 Q HN 0.612 nan 8.270 nan 0.000 0.504 179 A N -1.400 121.519 122.820 0.165 0.000 2.132 179 A HA 0.338 4.658 4.320 0.000 0.000 0.213 179 A C 1.544 179.300 177.584 0.286 0.000 1.154 179 A CA 0.926 53.069 52.037 0.177 0.000 0.753 179 A CB 0.142 19.206 19.000 0.107 0.000 0.826 179 A HN 0.428 nan 8.150 nan 0.000 0.469 180 G N -1.067 107.928 108.800 0.325 0.000 2.255 180 G HA2 -0.182 3.778 3.960 0.000 0.000 0.196 180 G HA3 -0.182 3.778 3.960 0.000 0.000 0.196 180 G C -0.106 174.872 174.900 0.129 0.000 0.998 180 G CA -0.102 45.111 45.100 0.188 0.000 0.656 180 G HN 0.382 nan 8.290 nan 0.000 0.490 181 N N 0.473 119.282 118.700 0.182 0.000 2.454 181 N HA 0.403 5.143 4.740 0.000 0.000 0.254 181 N C -0.107 175.468 175.510 0.108 0.000 1.228 181 N CA 0.639 53.781 53.050 0.154 0.000 0.900 181 N CB 1.864 40.497 38.487 0.243 0.000 1.089 181 N HN 0.217 nan 8.380 nan 0.000 0.449 182 V N 0.588 120.443 119.914 -0.098 0.000 2.876 182 V HA 0.553 4.673 4.120 0.000 0.000 0.312 182 V C 0.082 175.860 176.094 -0.527 0.000 1.085 182 V CA -0.722 61.423 62.300 -0.259 0.000 0.945 182 V CB 2.220 33.927 31.823 -0.193 0.000 1.017 182 V HN 0.888 nan 8.190 nan 0.000 0.428 183 T N 0.150 114.298 114.554 -0.676 0.000 2.906 183 T HA 0.828 5.178 4.350 0.000 0.000 0.295 183 T C -1.098 173.354 174.700 -0.413 0.000 1.075 183 T CA -0.549 61.172 62.100 -0.631 0.000 1.005 183 T CB 1.827 70.166 68.868 -0.882 0.000 1.136 183 T HN 0.166 nan 8.240 nan 0.000 0.498 184 F N 0.075 120.355 119.950 0.551 0.000 2.556 184 F HA 0.725 5.252 4.527 0.000 0.000 0.327 184 F C 0.629 176.578 175.800 0.248 0.000 1.059 184 F CA -1.277 56.917 58.000 0.324 0.000 0.953 184 F CB 1.955 41.028 39.000 0.121 0.000 1.227 184 F HN 0.537 nan 8.300 nan 0.000 0.478 185 R N 2.222 122.783 120.500 0.101 0.000 2.387 185 R HA 0.410 4.750 4.340 0.000 0.000 0.314 185 R C -0.096 175.925 176.300 -0.465 0.000 0.958 185 R CA -0.334 55.556 56.100 -0.349 0.000 0.846 185 R CB 0.745 30.448 30.300 -0.995 0.000 1.147 185 R HN 0.779 nan 8.270 nan 0.000 0.447 186 K N 0.495 120.473 120.400 -0.703 0.000 2.020 186 K HA -0.310 4.010 4.320 0.000 0.000 0.142 186 K C 0.829 176.748 176.600 -1.134 0.000 1.458 186 K CA 1.822 57.197 56.287 -1.520 0.000 0.544 186 K CB -1.336 30.559 32.500 -1.008 0.000 0.566 186 K HN 0.767 nan 8.250 nan 0.000 0.927 187 S N 0.489 115.696 115.700 -0.822 0.000 2.607 187 S HA 0.109 4.579 4.470 0.000 0.000 0.224 187 S C 1.667 176.129 174.600 -0.231 0.000 0.969 187 S CA 0.787 58.740 58.200 -0.412 0.000 0.927 187 S CB 0.154 63.204 63.200 -0.250 0.000 0.772 187 S HN 0.600 nan 8.310 nan 0.000 0.533 188 A N 1.652 124.357 122.820 -0.191 0.000 2.209 188 A HA 0.124 4.444 4.320 0.000 0.000 0.212 188 A C 2.173 179.776 177.584 0.031 0.000 1.158 188 A CA 0.683 52.701 52.037 -0.032 0.000 0.742 188 A CB -0.605 18.379 19.000 -0.025 0.000 0.790 188 A HN 0.586 nan 8.150 nan 0.000 0.472 189 R N 0.738 121.195 120.500 -0.072 0.000 2.075 189 R HA -0.233 4.107 4.340 0.000 0.000 0.230 189 R C 1.700 177.838 176.300 -0.269 0.000 1.140 189 R CA 1.901 57.863 56.100 -0.231 0.000 0.928 189 R CB -0.532 29.570 30.300 -0.330 0.000 0.834 189 R HN 0.757 nan 8.270 nan 0.000 0.429 190 N N -0.982 117.590 118.700 -0.213 0.000 1.061 190 N HA -0.354 4.386 4.740 0.000 0.000 0.140 190 N C 0.911 176.309 175.510 -0.186 0.000 0.477 190 N CA 2.593 55.555 53.050 -0.147 0.000 0.925 190 N CB -1.503 37.051 38.487 0.113 0.000 1.473 190 N HN 0.214 nan 8.380 nan 0.000 0.510 191 F N 0.179 120.116 119.950 -0.021 0.000 2.661 191 F HA 0.182 4.709 4.527 -0.000 0.000 0.298 191 F C 2.170 177.910 175.800 -0.100 0.000 1.137 191 F CA 0.404 58.382 58.000 -0.036 0.000 1.454 191 F CB -0.387 38.634 39.000 0.034 0.000 1.103 191 F HN 0.280 nan 8.300 nan 0.000 0.577 192 N N 0.675 119.387 118.700 0.019 0.000 2.104 192 N HA -0.211 4.529 4.740 0.000 0.000 0.190 192 N C 2.099 177.497 175.510 -0.187 0.000 1.024 192 N CA 1.256 54.299 53.050 -0.011 0.000 0.853 192 N CB -0.576 38.006 38.487 0.158 0.000 1.008 192 N HN 0.349 nan 8.380 nan 0.000 0.424 193 L N 1.997 122.872 121.223 -0.579 0.000 1.994 193 L HA -0.064 4.276 4.340 0.000 0.000 0.208 193 L C -0.734 175.988 176.870 -0.248 0.000 1.071 193 L CA 1.619 56.153 54.840 -0.510 0.000 0.745 193 L CB -1.129 40.550 42.059 -0.634 0.000 0.892 193 L HN 0.107 nan 8.230 nan 0.000 0.431 194 P HA -0.170 nan 4.420 nan 0.000 0.217 194 P C 1.789 179.031 177.300 -0.095 0.000 1.151 194 P CA 1.673 64.679 63.100 -0.157 0.000 0.828 194 P CB -0.128 31.492 31.700 -0.133 0.000 0.788 195 M N -0.937 118.652 119.600 -0.019 0.000 2.346 195 M HA -0.131 4.349 4.480 0.000 0.000 0.263 195 M C 2.242 178.525 176.300 -0.029 0.000 1.064 195 M CA 1.140 56.447 55.300 0.013 0.000 1.083 195 M CB -0.999 31.640 32.600 0.065 0.000 1.399 195 M HN 0.022 nan 8.290 nan 0.000 0.435 196 C N 0.813 120.078 119.300 -0.059 0.000 2.491 196 C HA -0.033 4.427 4.460 0.000 0.000 0.277 196 C C 1.933 176.819 174.990 -0.174 0.000 1.455 196 C CA 0.858 59.831 59.018 -0.074 0.000 1.758 196 C CB -1.021 26.720 27.740 0.001 0.000 1.745 196 C HN 0.444 nan 8.230 nan 0.000 0.558 197 K N -0.416 119.842 120.400 -0.237 0.000 2.402 197 K HA 0.289 4.609 4.320 0.000 0.000 0.204 197 K C 0.797 177.357 176.600 -0.067 0.000 1.056 197 K CA 0.401 56.520 56.287 -0.280 0.000 1.069 197 K CB 0.508 32.640 32.500 -0.614 0.000 0.888 197 K HN 0.208 nan 8.250 nan 0.000 0.546 198 A N 1.385 124.173 122.820 -0.052 0.000 2.827 198 A HA 0.661 4.981 4.320 0.000 0.000 0.300 198 A C -0.190 177.398 177.584 0.008 0.000 1.237 198 A CA -0.327 51.706 52.037 -0.006 0.000 0.964 198 A CB 0.211 19.209 19.000 -0.004 0.000 1.143 198 A HN 0.167 nan 8.150 nan 0.000 0.554 199 A N -0.771 122.054 122.820 0.008 0.000 2.539 199 A HA 0.645 4.965 4.320 0.000 0.000 0.296 199 A C 0.502 178.096 177.584 0.016 0.000 1.073 199 A CA -0.093 51.940 52.037 -0.006 0.000 0.700 199 A CB 0.897 19.885 19.000 -0.020 0.000 1.296 199 A HN 0.135 nan 8.150 nan 0.000 0.405 200 E N 0.633 120.800 120.200 -0.055 0.000 2.153 200 E HA -0.043 4.307 4.350 0.000 0.000 0.194 200 E C 0.231 176.806 176.600 -0.041 0.000 0.988 200 E CA 2.261 58.621 56.400 -0.066 0.000 0.811 200 E CB 0.106 29.712 29.700 -0.157 0.000 0.746 200 E HN 0.562 nan 8.360 nan 0.000 0.466 201 T N 0.606 115.062 114.554 -0.163 0.000 2.949 201 T HA 0.339 4.689 4.350 0.000 0.000 0.300 201 T C -1.003 173.699 174.700 0.003 0.000 0.988 201 T CA -0.409 61.685 62.100 -0.011 0.000 0.993 201 T CB 1.425 69.986 68.868 -0.512 0.000 0.984 201 T HN 0.144 nan 8.240 nan 0.000 0.442 202 T N 0.313 114.888 114.554 0.035 0.000 2.829 202 T HA 0.721 5.071 4.350 0.000 0.000 0.282 202 T C -0.270 174.428 174.700 -0.004 0.000 0.990 202 T CA -0.744 61.300 62.100 -0.093 0.000 1.028 202 T CB 1.111 69.808 68.868 -0.285 0.000 0.951 202 T HN 0.286 nan 8.240 nan 0.000 0.460 203 V N 3.651 123.586 119.914 0.035 0.000 2.409 203 V HA 0.436 4.556 4.120 0.000 0.000 0.290 203 V C -0.285 175.816 176.094 0.012 0.000 1.017 203 V CA -0.847 61.463 62.300 0.017 0.000 0.841 203 V CB 1.491 33.331 31.823 0.027 0.000 1.003 203 V HN 0.899 nan 8.190 nan 0.000 0.426 204 V N 5.291 125.202 119.914 -0.006 0.000 2.435 204 V HA 0.481 4.601 4.120 0.000 0.000 0.290 204 V C 0.062 176.166 176.094 0.017 0.000 1.030 204 V CA -0.591 61.717 62.300 0.013 0.000 0.881 204 V CB 1.836 33.654 31.823 -0.008 0.000 0.983 204 V HN 1.047 nan 8.190 nan 0.000 0.445 205 E N 4.675 124.913 120.200 0.064 0.000 2.171 205 E HA 0.731 5.081 4.350 0.000 0.000 0.271 205 E C -0.851 175.831 176.600 0.136 0.000 0.916 205 E CA -0.759 55.707 56.400 0.109 0.000 0.774 205 E CB 2.185 31.975 29.700 0.150 0.000 1.128 205 E HN 0.466 nan 8.360 nan 0.000 0.403 206 V N -0.008 119.987 119.914 0.135 0.000 3.046 206 V HA 0.386 4.506 4.120 0.000 0.000 0.316 206 V C 0.407 176.598 176.094 0.162 0.000 1.104 206 V CA -0.866 61.486 62.300 0.087 0.000 1.006 206 V CB 1.699 33.531 31.823 0.015 0.000 1.058 206 V HN 0.861 nan 8.190 nan 0.000 0.440 207 E N 0.144 120.365 120.200 0.035 0.000 2.447 207 E HA 0.246 4.596 4.350 0.000 0.000 0.195 207 E C 0.203 176.862 176.600 0.098 0.000 1.028 207 E CA 0.457 56.876 56.400 0.031 0.000 0.876 207 E CB 0.558 30.187 29.700 -0.119 0.000 0.885 207 E HN 0.820 nan 8.360 nan 0.000 0.500 208 E N 0.241 120.461 120.200 0.033 0.000 2.378 208 E HA 0.281 4.631 4.350 0.000 0.000 0.283 208 E C -1.647 174.936 176.600 -0.029 0.000 0.979 208 E CA -0.404 55.990 56.400 -0.011 0.000 0.795 208 E CB 1.381 31.025 29.700 -0.093 0.000 1.221 208 E HN -0.068 nan 8.360 nan 0.000 0.428 209 I N 4.515 125.086 120.570 0.001 0.000 2.362 209 I HA 0.383 4.553 4.170 0.000 0.000 0.289 209 I C 0.127 176.209 176.117 -0.058 0.000 0.994 209 I CA -0.840 60.475 61.300 0.024 0.000 1.158 209 I CB 1.407 39.480 38.000 0.123 0.000 1.315 209 I HN 0.363 nan 8.210 nan 0.000 0.451 210 V N 1.957 121.788 119.914 -0.139 0.000 3.234 210 V HA 0.600 4.720 4.120 0.000 0.000 0.317 210 V C -0.359 175.594 176.094 -0.234 0.000 1.147 210 V CA -0.865 61.297 62.300 -0.231 0.000 1.037 210 V CB 1.694 33.282 31.823 -0.393 0.000 1.148 210 V HN 0.434 nan 8.190 nan 0.000 0.455 211 D N 0.610 120.863 120.400 -0.245 0.000 2.341 211 D HA 0.419 5.059 4.640 0.000 0.000 0.245 211 D C 0.169 176.316 176.300 -0.254 0.000 1.106 211 D CA 0.062 53.940 54.000 -0.203 0.000 0.905 211 D CB 1.128 41.831 40.800 -0.160 0.000 1.202 211 D HN 0.569 nan 8.370 nan 0.000 0.426 212 I N 1.219 121.688 120.570 -0.167 0.000 2.662 212 I HA 0.121 4.291 4.170 0.000 0.000 0.285 212 I C 1.581 177.618 176.117 -0.133 0.000 1.161 212 I CA 0.812 62.033 61.300 -0.132 0.000 1.415 212 I CB 0.181 38.142 38.000 -0.065 0.000 1.385 212 I HN 0.709 nan 8.210 nan 0.000 0.552 213 G N 3.478 112.194 108.800 -0.140 0.000 2.211 213 G HA2 -0.255 3.705 3.960 0.000 0.000 0.201 213 G HA3 -0.255 3.705 3.960 0.000 0.000 0.201 213 G C 0.953 175.761 174.900 -0.153 0.000 0.997 213 G CA 0.241 45.281 45.100 -0.100 0.000 0.652 213 G HN 0.538 nan 8.290 nan 0.000 0.500 214 S N -0.016 115.490 115.700 -0.323 0.000 2.423 214 S HA 0.305 4.775 4.470 0.000 0.000 0.231 214 S C 0.713 175.133 174.600 -0.300 0.000 1.014 214 S CA 0.712 58.671 58.200 -0.402 0.000 0.965 214 S CB -0.120 62.676 63.200 -0.673 0.000 0.785 214 S HN 0.389 nan 8.310 nan 0.000 0.495 215 F N 0.994 120.899 119.950 -0.075 0.000 2.440 215 F HA 0.681 5.208 4.527 0.000 0.000 0.328 215 F C 0.498 176.274 175.800 -0.040 0.000 1.070 215 F CA -2.285 55.671 58.000 -0.074 0.000 1.011 215 F CB 0.385 39.330 39.000 -0.092 0.000 1.226 215 F HN -0.118 nan 8.300 nan 0.000 0.491 216 A N 3.139 126.070 122.820 0.186 0.000 2.331 216 A HA 0.474 4.794 4.320 0.000 0.000 0.283 216 A C -1.580 176.066 177.584 0.104 0.000 1.142 216 A CA -1.387 50.713 52.037 0.104 0.000 0.812 216 A CB 0.162 19.211 19.000 0.081 0.000 1.074 216 A HN 0.556 nan 8.150 nan 0.000 0.497 217 P HA -0.213 nan 4.420 nan 0.000 0.217 217 P C 0.603 177.935 177.300 0.054 0.000 1.151 217 P CA 1.531 64.673 63.100 0.069 0.000 0.849 217 P CB 0.263 31.993 31.700 0.051 0.000 0.787 218 E N -0.366 119.865 120.200 0.051 0.000 2.338 218 E HA -0.094 4.256 4.350 0.000 0.000 0.197 218 E C 0.889 177.523 176.600 0.056 0.000 1.007 218 E CA 0.854 57.284 56.400 0.049 0.000 0.849 218 E CB -0.520 29.207 29.700 0.046 0.000 0.774 218 E HN 0.339 nan 8.360 nan 0.000 0.506 219 D N -0.214 120.213 120.400 0.046 0.000 2.463 219 D HA 0.130 4.770 4.640 0.000 0.000 0.224 219 D C -0.247 175.961 176.300 -0.153 0.000 1.174 219 D CA -0.049 53.969 54.000 0.030 0.000 0.829 219 D CB 0.277 41.114 40.800 0.062 0.000 0.993 219 D HN 0.175 nan 8.370 nan 0.000 0.497 220 I N 1.018 121.503 120.570 -0.143 0.000 2.322 220 I HA 0.058 4.228 4.170 0.000 0.000 0.292 220 I C 1.466 177.523 176.117 -0.100 0.000 1.060 220 I CA -0.231 60.877 61.300 -0.319 0.000 1.309 220 I CB 0.727 38.639 38.000 -0.147 0.000 1.415 220 I HN -0.002 nan 8.210 nan 0.000 0.492 221 H N 6.086 125.114 119.070 -0.069 0.000 2.395 221 H HA 0.123 4.679 4.556 0.000 0.000 0.299 221 H C 0.081 175.492 175.328 0.138 0.000 1.070 221 H CA 0.474 56.577 56.048 0.091 0.000 1.356 221 H CB 0.438 30.369 29.762 0.281 0.000 1.401 221 H HN 0.327 nan 8.280 nan 0.000 0.524 222 I N 1.868 122.572 120.570 0.223 0.000 2.466 222 I HA 0.227 4.397 4.170 0.000 0.000 0.279 222 I C -2.538 173.690 176.117 0.185 0.000 1.033 222 I CA -2.967 58.473 61.300 0.233 0.000 1.123 222 I CB 1.409 39.578 38.000 0.281 0.000 1.237 222 I HN -0.178 nan 8.210 nan 0.000 0.460 223 P HA 0.038 nan 4.420 nan 0.000 0.265 223 P C 0.900 178.279 177.300 0.132 0.000 1.187 223 P CA -0.110 63.078 63.100 0.147 0.000 0.766 223 P CB 0.574 32.341 31.700 0.112 0.000 0.820 224 K N 3.515 123.965 120.400 0.083 0.000 2.160 224 K HA -0.200 4.120 4.320 0.000 0.000 0.206 224 K C 1.738 178.365 176.600 0.046 0.000 1.047 224 K CA 1.577 57.913 56.287 0.082 0.000 0.930 224 K CB -0.985 31.572 32.500 0.094 0.000 0.720 224 K HN 0.348 nan 8.250 nan 0.000 0.450 225 I N 0.682 121.218 120.570 -0.057 0.000 2.399 225 I HA -0.299 3.871 4.170 0.000 0.000 0.254 225 I C 1.246 177.301 176.117 -0.103 0.000 1.146 225 I CA 1.411 62.627 61.300 -0.141 0.000 1.412 225 I CB 0.038 37.846 38.000 -0.320 0.000 1.076 225 I HN 0.149 nan 8.210 nan 0.000 0.432 226 Y N -0.296 120.028 120.300 0.039 0.000 2.500 226 Y HA 0.189 4.739 4.550 0.000 0.000 0.270 226 Y C 0.746 176.528 175.900 -0.196 0.000 1.134 226 Y CA -0.127 57.944 58.100 -0.047 0.000 1.293 226 Y CB -0.123 38.316 38.460 -0.036 0.000 1.063 226 Y HN -0.170 nan 8.280 nan 0.000 0.534 227 V N 1.003 120.955 119.914 0.065 0.000 2.320 227 V HA 0.095 4.215 4.120 0.000 0.000 0.265 227 V C 0.370 176.504 176.094 0.068 0.000 1.048 227 V CA -0.374 61.918 62.300 -0.014 0.000 0.865 227 V CB 0.243 32.069 31.823 0.005 0.000 1.043 227 V HN 0.457 nan 8.190 nan 0.000 0.474 228 H N 3.261 122.364 119.070 0.055 0.000 2.384 228 H HA 0.231 4.787 4.556 -0.000 0.000 0.300 228 H C 0.697 176.081 175.328 0.093 0.000 1.057 228 H CA 0.436 56.522 56.048 0.062 0.000 1.370 228 H CB 0.422 30.212 29.762 0.047 0.000 1.417 228 H HN 0.426 nan 8.280 nan 0.000 0.527 229 R N 0.863 121.478 120.500 0.192 0.000 2.621 229 R HA 0.511 4.851 4.340 0.000 0.000 0.292 229 R C -1.705 174.604 176.300 0.015 0.000 0.969 229 R CA -0.735 55.480 56.100 0.192 0.000 0.887 229 R CB 2.794 33.119 30.300 0.041 0.000 1.180 229 R HN 0.024 nan 8.270 nan 0.000 0.450 230 L N 2.501 123.703 121.223 -0.035 0.000 2.408 230 L HA 0.672 5.012 4.340 0.000 0.000 0.268 230 L C -1.519 175.321 176.870 -0.051 0.000 0.986 230 L CA -0.855 53.869 54.840 -0.194 0.000 0.820 230 L CB 2.234 43.924 42.059 -0.615 0.000 1.303 230 L HN 0.458 nan 8.230 nan 0.000 0.411 231 V N 4.619 124.536 119.914 0.004 0.000 2.841 231 V HA 0.474 4.594 4.120 0.000 0.000 0.310 231 V C -0.999 175.148 176.094 0.090 0.000 1.090 231 V CA -0.745 61.608 62.300 0.088 0.000 0.930 231 V CB 2.219 34.090 31.823 0.080 0.000 1.014 231 V HN 0.847 nan 8.190 nan 0.000 0.425 232 K N 4.227 124.700 120.400 0.122 0.000 2.234 232 K HA 0.532 4.852 4.320 0.000 0.000 0.282 232 K C 0.367 177.049 176.600 0.136 0.000 1.039 232 K CA 0.121 56.493 56.287 0.143 0.000 0.928 232 K CB 0.973 33.557 32.500 0.140 0.000 1.039 232 K HN 1.022 nan 8.250 nan 0.000 0.470 233 G N 2.945 111.877 108.800 0.220 0.000 2.353 233 G HA2 -0.095 3.865 3.960 0.000 0.000 0.239 233 G HA3 -0.095 3.865 3.960 0.000 0.000 0.239 233 G C 0.431 175.269 174.900 -0.104 0.000 1.295 233 G CA -0.148 44.956 45.100 0.006 0.000 0.884 233 G HN 0.943 nan 8.290 nan 0.000 0.537 234 E N 1.161 121.252 120.200 -0.182 0.000 2.016 234 E HA -0.003 4.347 4.350 0.000 0.000 0.190 234 E C 1.058 177.563 176.600 -0.159 0.000 0.985 234 E CA 0.837 57.171 56.400 -0.111 0.000 0.802 234 E CB 0.107 29.758 29.700 -0.082 0.000 0.762 234 E HN 0.478 nan 8.360 nan 0.000 0.448 235 K N -0.361 119.862 120.400 -0.296 0.000 2.443 235 K HA 0.213 4.533 4.320 0.000 0.000 0.252 235 K C -1.966 174.389 176.600 -0.408 0.000 0.933 235 K CA -0.558 55.593 56.287 -0.227 0.000 0.792 235 K CB 1.049 33.498 32.500 -0.085 0.000 1.185 235 K HN -0.080 nan 8.250 nan 0.000 0.425 236 Y N 2.563 122.920 120.300 0.096 0.000 2.376 236 Y HA 0.205 4.755 4.550 -0.000 0.000 0.326 236 Y C 0.496 176.465 175.900 0.115 0.000 0.970 236 Y CA -0.687 57.483 58.100 0.117 0.000 1.248 236 Y CB 1.940 40.460 38.460 0.100 0.000 1.117 236 Y HN 0.708 nan 8.280 nan 0.000 0.476 237 E N 2.093 122.462 120.200 0.282 0.000 2.427 237 E HA -0.072 4.278 4.350 0.000 0.000 0.196 237 E C 0.337 176.995 176.600 0.097 0.000 1.028 237 E CA 0.179 56.669 56.400 0.150 0.000 0.864 237 E CB 0.168 29.913 29.700 0.075 0.000 0.813 237 E HN 0.462 nan 8.360 nan 0.000 0.514 238 K N 1.118 121.624 120.400 0.176 0.000 3.016 238 K HA -0.210 4.110 4.320 0.000 0.000 0.262 238 K C -0.418 176.206 176.600 0.039 0.000 1.043 238 K CA 0.624 56.975 56.287 0.107 0.000 0.761 238 K CB -1.516 31.025 32.500 0.069 0.000 1.230 238 K HN 0.294 nan 8.250 nan 0.000 0.485 239 R N 0.112 120.610 120.500 -0.004 0.000 2.640 239 R HA 0.190 4.530 4.340 0.000 0.000 0.270 239 R C 0.800 177.095 176.300 -0.008 0.000 1.024 239 R CA 0.341 56.374 56.100 -0.112 0.000 1.085 239 R CB 0.323 30.397 30.300 -0.377 0.000 0.963 239 R HN 0.152 nan 8.270 nan 0.000 0.426 240 I N 1.613 122.168 120.570 -0.025 0.000 2.418 240 I HA 0.044 4.214 4.170 0.000 0.000 0.287 240 I C 1.351 177.469 176.117 0.003 0.000 1.008 240 I CA -0.250 61.054 61.300 0.007 0.000 1.104 240 I CB 1.954 39.954 38.000 -0.001 0.000 1.264 240 I HN 0.729 nan 8.210 nan 0.000 0.438 241 E N 6.165 126.384 120.200 0.032 0.000 2.047 241 E HA -0.008 4.342 4.350 0.000 0.000 0.191 241 E C 0.255 176.864 176.600 0.016 0.000 0.987 241 E CA 1.167 57.586 56.400 0.032 0.000 0.799 241 E CB 0.480 30.215 29.700 0.059 0.000 0.752 241 E HN 0.481 nan 8.360 nan 0.000 0.449 242 R N 0.508 121.017 120.500 0.014 0.000 2.483 242 R HA 0.303 4.643 4.340 0.000 0.000 0.303 242 R C -1.535 174.743 176.300 -0.036 0.000 0.987 242 R CA -0.761 55.332 56.100 -0.012 0.000 0.881 242 R CB 1.668 31.964 30.300 -0.006 0.000 1.177 242 R HN 0.061 nan 8.270 nan 0.000 0.451 243 L N 2.721 123.912 121.223 -0.054 0.000 2.315 243 L HA 0.292 4.632 4.340 0.000 0.000 0.278 243 L C -0.646 176.149 176.870 -0.125 0.000 1.088 243 L CA 0.188 54.988 54.840 -0.067 0.000 0.899 243 L CB 1.155 43.186 42.059 -0.046 0.000 1.277 243 L HN 0.470 nan 8.230 nan 0.000 0.431 244 S N 3.780 119.356 115.700 -0.206 0.000 2.695 244 S HA 0.483 4.953 4.470 0.000 0.000 0.275 244 S C 0.195 174.630 174.600 -0.275 0.000 1.203 244 S CA -0.528 57.418 58.200 -0.423 0.000 1.061 244 S CB 0.494 63.100 63.200 -0.990 0.000 1.152 244 S HN 0.353 nan 8.310 nan 0.000 0.495 245 V N 3.311 123.149 119.914 -0.127 0.000 3.406 245 V HA 0.702 4.822 4.120 0.000 0.000 0.305 245 V C 0.282 176.395 176.094 0.032 0.000 1.136 245 V CA -1.045 61.246 62.300 -0.016 0.000 1.011 245 V CB 1.523 33.339 31.823 -0.012 0.000 1.221 245 V HN 0.844 nan 8.190 nan 0.000 0.454 246 R N 0.574 121.110 120.500 0.060 0.000 2.710 246 R HA 0.772 5.112 4.340 0.000 0.000 0.270 246 R C -1.404 174.919 176.300 0.038 0.000 1.021 246 R CA -0.948 55.192 56.100 0.067 0.000 0.889 246 R CB 1.907 32.272 30.300 0.109 0.000 1.243 246 R HN 0.502 nan 8.270 nan 0.000 0.464 262 V N -0.169 119.683 119.914 -0.105 0.000 2.970 262 V HA 0.218 4.338 4.120 0.000 0.000 0.260 262 V C 2.328 178.335 176.094 -0.146 0.000 1.100 262 V CA 1.447 63.641 62.300 -0.178 0.000 1.122 262 V CB -0.828 30.897 31.823 -0.162 0.000 0.721 262 V HN 0.214 nan 8.190 nan 0.000 0.483 263 R N 0.771 121.221 120.500 -0.082 0.000 2.115 263 R HA -0.146 4.194 4.340 0.000 0.000 0.226 263 R C 2.373 178.641 176.300 -0.053 0.000 1.100 263 R CA 1.660 57.731 56.100 -0.049 0.000 0.980 263 R CB -0.146 30.147 30.300 -0.012 0.000 0.875 263 R HN 0.838 nan 8.270 nan 0.000 0.445 264 E N 0.046 120.206 120.200 -0.067 0.000 2.208 264 E HA -0.173 4.177 4.350 0.000 0.000 0.193 264 E C 1.865 178.377 176.600 -0.145 0.000 0.988 264 E CA 0.667 57.024 56.400 -0.071 0.000 0.828 264 E CB 0.118 29.790 29.700 -0.047 0.000 0.763 264 E HN 0.208 nan 8.360 nan 0.000 0.478 265 R N 0.203 120.578 120.500 -0.209 0.000 2.075 265 R HA -0.017 4.323 4.340 0.000 0.000 0.232 265 R C 2.367 178.548 176.300 -0.198 0.000 1.126 265 R CA 1.529 57.451 56.100 -0.297 0.000 0.963 265 R CB -0.149 29.786 30.300 -0.608 0.000 0.858 265 R HN 0.286 nan 8.270 nan 0.000 0.435 266 I N 0.262 120.741 120.570 -0.152 0.000 2.226 266 I HA -0.290 3.880 4.170 0.000 0.000 0.245 266 I C 2.060 178.142 176.117 -0.058 0.000 1.100 266 I CA 1.336 62.584 61.300 -0.087 0.000 1.374 266 I CB -0.263 37.704 38.000 -0.055 0.000 1.057 266 I HN 0.145 nan 8.210 nan 0.000 0.413 267 I N 0.772 121.313 120.570 -0.048 0.000 2.179 267 I HA -0.289 3.881 4.170 0.000 0.000 0.242 267 I C 2.465 178.533 176.117 -0.081 0.000 1.088 267 I CA 1.564 62.864 61.300 0.001 0.000 1.357 267 I CB -0.417 37.630 38.000 0.078 0.000 1.051 267 I HN 0.149 nan 8.210 nan 0.000 0.409 268 K N 0.146 120.403 120.400 -0.238 0.000 2.209 268 K HA -0.199 4.121 4.320 0.000 0.000 0.204 268 K C 2.219 178.733 176.600 -0.143 0.000 1.048 268 K CA 0.980 57.060 56.287 -0.346 0.000 0.940 268 K CB -0.097 32.184 32.500 -0.364 0.000 0.729 268 K HN 0.084 nan 8.250 nan 0.000 0.451 269 R N 1.111 121.561 120.500 -0.082 0.000 2.112 269 R HA 0.087 4.427 4.340 0.000 0.000 0.216 269 R C 1.877 178.145 176.300 -0.052 0.000 1.080 269 R CA 1.306 57.381 56.100 -0.041 0.000 0.996 269 R CB -0.524 29.764 30.300 -0.019 0.000 0.902 269 R HN 0.093 nan 8.270 nan 0.000 0.449 270 A N 0.613 123.402 122.820 -0.053 0.000 1.972 270 A HA -0.024 4.296 4.320 0.000 0.000 0.219 270 A C 2.273 179.776 177.584 -0.135 0.000 1.169 270 A CA 1.626 53.611 52.037 -0.086 0.000 0.635 270 A CB -0.941 18.035 19.000 -0.039 0.000 0.810 270 A HN 0.450 nan 8.150 nan 0.000 0.446 271 A N -0.514 122.318 122.820 0.020 0.000 2.125 271 A HA 0.056 4.376 4.320 0.000 0.000 0.219 271 A C 1.848 179.499 177.584 0.111 0.000 1.156 271 A CA 1.169 53.326 52.037 0.201 0.000 0.671 271 A CB -0.493 18.699 19.000 0.320 0.000 0.794 271 A HN 0.484 nan 8.150 nan 0.000 0.459 272 L N -0.486 120.728 121.223 -0.014 0.000 2.599 272 L HA 0.021 4.361 4.340 0.000 0.000 0.230 272 L C 1.699 178.515 176.870 -0.090 0.000 1.141 272 L CA 0.098 54.931 54.840 -0.013 0.000 0.877 272 L CB -0.131 41.921 42.059 -0.011 0.000 1.009 272 L HN 0.270 nan 8.230 nan 0.000 0.447 273 E N 0.120 120.160 120.200 -0.268 0.000 2.371 273 E HA 0.019 4.369 4.350 0.000 0.000 0.194 273 E C 0.209 176.643 176.600 -0.276 0.000 1.012 273 E CA 0.314 56.531 56.400 -0.305 0.000 0.860 273 E CB 0.101 29.550 29.700 -0.417 0.000 0.811 273 E HN 0.203 nan 8.360 nan 0.000 0.502 274 F N 1.947 121.900 119.950 0.005 0.000 2.484 274 F HA 0.149 4.677 4.527 0.000 0.000 0.360 274 F C 1.023 176.808 175.800 -0.024 0.000 1.101 274 F CA -0.035 57.956 58.000 -0.014 0.000 1.251 274 F CB 0.505 39.494 39.000 -0.018 0.000 1.132 274 F HN -0.225 nan 8.300 nan 0.000 0.570 275 E N 0.166 120.464 120.200 0.164 0.000 2.359 275 E HA 0.251 4.601 4.350 0.000 0.000 0.266 275 E C -1.628 174.977 176.600 0.008 0.000 0.920 275 E CA -1.227 55.212 56.400 0.064 0.000 0.788 275 E CB 1.627 31.349 29.700 0.036 0.000 1.279 275 E HN 0.402 nan 8.360 nan 0.000 0.438 276 D N -0.468 119.918 120.400 -0.023 0.000 2.425 276 D HA 0.281 4.921 4.640 0.000 0.000 0.247 276 D C 0.851 177.089 176.300 -0.102 0.000 1.147 276 D CA 1.798 55.753 54.000 -0.075 0.000 0.879 276 D CB 0.515 41.283 40.800 -0.053 0.000 1.179 276 D HN 0.635 nan 8.370 nan 0.000 0.456 277 G N 3.277 111.958 108.800 -0.200 0.000 2.179 277 G HA2 -0.309 3.651 3.960 0.000 0.000 0.260 277 G HA3 -0.309 3.651 3.960 0.000 0.000 0.260 277 G C 0.485 175.211 174.900 -0.291 0.000 0.977 277 G CA 0.377 45.345 45.100 -0.221 0.000 0.641 277 G HN 0.624 nan 8.290 nan 0.000 0.533 278 M N 0.440 119.897 119.600 -0.238 0.000 2.233 278 M HA 0.632 5.112 4.480 0.000 0.000 0.350 278 M C -0.510 175.636 176.300 -0.256 0.000 1.176 278 M CA -0.411 54.806 55.300 -0.139 0.000 1.150 278 M CB 0.403 33.012 32.600 0.015 0.000 1.530 278 M HN 0.087 nan 8.290 nan 0.000 0.459 279 Y N 3.486 123.849 120.300 0.105 0.000 2.331 279 Y HA 0.682 5.232 4.550 -0.000 0.000 0.338 279 Y C 0.021 175.984 175.900 0.105 0.000 0.976 279 Y CA -0.464 57.707 58.100 0.119 0.000 1.137 279 Y CB 1.523 40.041 38.460 0.097 0.000 1.172 279 Y HN 0.798 nan 8.280 nan 0.000 0.478 280 A N 3.204 126.159 122.820 0.225 0.000 2.515 280 A HA 0.590 4.910 4.320 0.000 0.000 0.296 280 A C -1.305 176.374 177.584 0.159 0.000 1.094 280 A CA -0.909 51.248 52.037 0.200 0.000 0.718 280 A CB 1.631 20.801 19.000 0.284 0.000 1.307 280 A HN 0.658 nan 8.150 nan 0.000 0.408 281 N N 1.792 120.571 118.700 0.133 0.000 2.483 281 N HA 0.451 5.191 4.740 0.000 0.000 0.267 281 N C -1.668 173.908 175.510 0.111 0.000 0.998 281 N CA -0.198 52.910 53.050 0.097 0.000 0.918 281 N CB 0.837 39.362 38.487 0.063 0.000 1.215 281 N HN 0.596 nan 8.380 nan 0.000 0.500 282 L N 2.390 123.682 121.223 0.114 0.000 2.272 282 L HA 0.491 4.831 4.340 0.000 0.000 0.289 282 L C 1.449 178.378 176.870 0.098 0.000 1.032 282 L CA -0.943 53.972 54.840 0.125 0.000 0.810 282 L CB 1.484 43.637 42.059 0.157 0.000 1.205 282 L HN 0.443 nan 8.230 nan 0.000 0.422 283 G N 3.051 111.906 108.800 0.091 0.000 2.634 283 G HA2 0.345 4.305 3.960 0.000 0.000 0.255 283 G HA3 0.345 4.305 3.960 0.000 0.000 0.255 283 G C -0.016 174.935 174.900 0.085 0.000 1.205 283 G CA -0.623 44.526 45.100 0.081 0.000 0.884 283 G HN 0.500 nan 8.290 nan 0.000 0.549 284 I N 0.854 121.472 120.570 0.080 0.000 2.813 284 I HA 0.297 4.467 4.170 0.000 0.000 0.287 284 I C 1.431 177.599 176.117 0.084 0.000 1.196 284 I CA 1.975 63.327 61.300 0.087 0.000 1.421 284 I CB 0.617 38.664 38.000 0.079 0.000 1.365 284 I HN 1.026 nan 8.210 nan 0.000 0.591 285 G N 5.194 114.051 108.800 0.095 0.000 2.554 285 G HA2 -0.294 3.666 3.960 0.000 0.000 0.253 285 G HA3 -0.294 3.666 3.960 0.000 0.000 0.253 285 G C 0.767 175.722 174.900 0.091 0.000 1.172 285 G CA 0.151 45.304 45.100 0.088 0.000 0.950 285 G HN 0.555 nan 8.290 nan 0.000 0.557 286 I N 2.647 123.264 120.570 0.078 0.000 2.113 286 I HA -0.197 3.973 4.170 0.000 0.000 0.242 286 I C 0.233 176.412 176.117 0.103 0.000 1.057 286 I CA 2.755 64.104 61.300 0.082 0.000 1.314 286 I CB -1.287 36.745 38.000 0.054 0.000 1.022 286 I HN 0.356 nan 8.210 nan 0.000 0.408 287 P HA -0.197 nan 4.420 nan 0.000 0.214 287 P C 1.837 179.235 177.300 0.163 0.000 1.163 287 P CA 1.213 64.385 63.100 0.120 0.000 0.883 287 P CB -0.055 31.704 31.700 0.098 0.000 0.788 288 L N -0.829 120.468 121.223 0.123 0.000 2.042 288 L HA -0.154 4.186 4.340 0.000 0.000 0.210 288 L C 2.231 179.149 176.870 0.079 0.000 1.076 288 L CA 1.754 56.648 54.840 0.091 0.000 0.749 288 L CB -1.549 40.557 42.059 0.077 0.000 0.893 288 L HN -0.117 nan 8.230 nan 0.000 0.432 289 L N -0.586 120.701 121.223 0.106 0.000 2.042 289 L HA -0.223 4.117 4.340 0.000 0.000 0.210 289 L C 2.617 179.606 176.870 0.198 0.000 1.076 289 L CA 1.301 56.212 54.840 0.120 0.000 0.749 289 L CB -0.860 41.288 42.059 0.149 0.000 0.893 289 L HN 0.400 nan 8.230 nan 0.000 0.432 290 A N -0.143 122.839 122.820 0.269 0.000 2.024 290 A HA -0.214 4.106 4.320 0.000 0.000 0.220 290 A C 2.454 180.325 177.584 0.479 0.000 1.164 290 A CA 1.800 54.087 52.037 0.417 0.000 0.643 290 A CB -0.625 18.565 19.000 0.317 0.000 0.806 290 A HN 0.560 nan 8.150 nan 0.000 0.451 291 S N 0.266 116.119 115.700 0.255 0.000 2.474 291 S HA -0.122 4.348 4.470 0.000 0.000 0.235 291 S C 1.457 175.947 174.600 -0.183 0.000 0.997 291 S CA 0.998 59.131 58.200 -0.111 0.000 0.949 291 S CB -0.596 62.476 63.200 -0.213 0.000 0.766 291 S HN 0.615 nan 8.310 nan 0.000 0.517 292 N N 0.885 119.477 118.700 -0.180 0.000 2.381 292 N HA 0.050 4.790 4.740 0.000 0.000 0.182 292 N C 0.225 175.414 175.510 -0.535 0.000 1.025 292 N CA 0.879 53.689 53.050 -0.401 0.000 0.888 292 N CB -0.336 37.829 38.487 -0.536 0.000 0.965 292 N HN 0.513 nan 8.380 nan 0.000 0.438 293 F N 0.950 120.907 119.950 0.012 0.000 2.692 293 F HA 0.326 4.853 4.527 0.000 0.000 0.303 293 F C 0.961 176.778 175.800 0.028 0.000 1.114 293 F CA -0.371 57.649 58.000 0.033 0.000 1.361 293 F CB -0.080 38.962 39.000 0.071 0.000 1.063 293 F HN -0.175 nan 8.300 nan 0.000 0.550 294 I N 0.142 120.732 120.570 0.033 0.000 2.588 294 I HA -0.038 4.132 4.170 0.000 0.000 0.283 294 I C 0.995 177.093 176.117 -0.031 0.000 1.119 294 I CA -0.175 61.108 61.300 -0.029 0.000 1.419 294 I CB 0.741 38.581 38.000 -0.267 0.000 1.394 294 I HN -0.077 nan 8.210 nan 0.000 0.562 295 S N 7.520 123.220 115.700 0.001 0.000 2.510 295 S HA 0.157 4.627 4.470 0.000 0.000 0.279 295 S C -1.392 173.180 174.600 -0.047 0.000 1.284 295 S CA -1.203 56.992 58.200 -0.009 0.000 1.059 295 S CB 0.866 64.072 63.200 0.010 0.000 0.901 295 S HN 0.356 nan 8.310 nan 0.000 0.491 296 P HA -0.100 nan 4.420 nan 0.000 0.218 296 P C 0.368 177.635 177.300 -0.054 0.000 1.146 296 P CA 1.349 64.413 63.100 -0.059 0.000 0.820 296 P CB -0.087 31.586 31.700 -0.045 0.000 0.778 297 N N -1.910 116.766 118.700 -0.039 0.000 2.550 297 N HA -0.003 4.737 4.740 0.000 0.000 0.186 297 N C 0.745 176.227 175.510 -0.047 0.000 1.110 297 N CA 0.203 53.232 53.050 -0.034 0.000 0.912 297 N CB -0.171 38.304 38.487 -0.020 0.000 0.968 297 N HN 0.224 nan 8.380 nan 0.000 0.448 298 M N 0.640 120.202 119.600 -0.062 0.000 2.364 298 M HA 0.244 4.724 4.480 0.000 0.000 0.334 298 M C -1.152 175.062 176.300 -0.143 0.000 1.107 298 M CA -0.386 54.865 55.300 -0.083 0.000 0.988 298 M CB 1.403 33.968 32.600 -0.057 0.000 1.673 298 M HN -0.183 nan 8.290 nan 0.000 0.441 299 T N 4.072 118.514 114.554 -0.186 0.000 2.756 299 T HA 0.564 4.914 4.350 0.000 0.000 0.290 299 T C -0.904 173.520 174.700 -0.461 0.000 0.985 299 T CA -0.476 61.435 62.100 -0.315 0.000 0.955 299 T CB 0.728 69.416 68.868 -0.299 0.000 0.930 299 T HN 0.470 nan 8.240 nan 0.000 0.451 300 V N 4.892 124.495 119.914 -0.518 0.000 2.577 300 V HA 0.370 4.490 4.120 0.000 0.000 0.303 300 V C -0.751 175.029 176.094 -0.524 0.000 1.042 300 V CA -1.016 60.988 62.300 -0.493 0.000 0.872 300 V CB 1.753 33.339 31.823 -0.395 0.000 0.998 300 V HN 0.819 nan 8.190 nan 0.000 0.423 301 H N 5.136 124.061 119.070 -0.242 0.000 2.504 301 H HA 0.532 5.088 4.556 -0.000 0.000 0.322 301 H C -0.606 174.707 175.328 -0.026 0.000 1.055 301 H CA -0.471 55.489 56.048 -0.147 0.000 1.231 301 H CB 1.776 31.421 29.762 -0.194 0.000 1.417 301 H HN 0.431 nan 8.280 nan 0.000 0.472 302 L N 3.081 124.358 121.223 0.089 0.000 2.264 302 L HA 0.229 4.569 4.340 0.000 0.000 0.289 302 L C 0.638 177.561 176.870 0.088 0.000 1.044 302 L CA -0.486 54.395 54.840 0.068 0.000 0.807 302 L CB 1.272 43.327 42.059 -0.007 0.000 1.192 302 L HN 0.383 nan 8.230 nan 0.000 0.425 303 Q N 2.422 122.286 119.800 0.107 0.000 2.241 303 Q HA 0.309 4.649 4.340 0.000 0.000 0.254 303 Q C -1.068 174.947 176.000 0.025 0.000 0.917 303 Q CA -0.092 55.763 55.803 0.088 0.000 0.919 303 Q CB 2.102 30.894 28.738 0.089 0.000 1.237 303 Q HN 0.585 nan 8.270 nan 0.000 0.434 304 S N 2.344 118.032 115.700 -0.019 0.000 2.449 304 S HA 0.132 4.602 4.470 0.000 0.000 0.310 304 S C 0.977 175.471 174.600 -0.176 0.000 1.096 304 S CA -0.592 57.556 58.200 -0.086 0.000 1.095 304 S CB 0.777 63.913 63.200 -0.108 0.000 1.007 304 S HN 0.668 nan 8.310 nan 0.000 0.474 305 E N 4.092 124.167 120.200 -0.209 0.000 2.209 305 E HA -0.210 4.140 4.350 0.000 0.000 0.196 305 E C 0.883 177.257 176.600 -0.378 0.000 0.993 305 E CA 1.170 57.337 56.400 -0.388 0.000 0.819 305 E CB -0.595 28.978 29.700 -0.213 0.000 0.745 305 E HN 0.777 nan 8.360 nan 0.000 0.477 306 N N 1.194 119.567 118.700 -0.545 0.000 2.571 306 N HA -0.025 4.715 4.740 0.000 0.000 0.189 306 N C 0.917 176.119 175.510 -0.512 0.000 1.154 306 N CA 1.042 53.590 53.050 -0.837 0.000 0.907 306 N CB 0.211 37.600 38.487 -1.831 0.000 0.977 306 N HN 0.354 nan 8.380 nan 0.000 0.449 307 G N 0.025 108.557 108.800 -0.448 0.000 2.245 307 G HA2 -0.075 3.885 3.960 0.000 0.000 0.130 307 G HA3 -0.075 3.885 3.960 0.000 0.000 0.130 307 G C -0.604 173.618 174.900 -1.131 0.000 1.040 307 G CA -0.351 44.324 45.100 -0.709 0.000 0.713 307 G HN 0.311 nan 8.290 nan 0.000 0.488 308 I N -0.385 119.765 120.570 -0.701 0.000 2.730 308 I HA 0.739 4.909 4.170 0.000 0.000 0.298 308 I C -0.730 175.310 176.117 -0.128 0.000 1.089 308 I CA -1.446 59.574 61.300 -0.467 0.000 1.041 308 I CB 2.232 40.132 38.000 -0.167 0.000 1.235 308 I HN 0.053 nan 8.210 nan 0.000 0.423 309 L N 4.334 125.518 121.223 -0.064 0.000 2.404 309 L HA 0.795 5.135 4.340 0.000 0.000 0.272 309 L C 0.113 176.957 176.870 -0.043 0.000 0.980 309 L CA 0.157 55.049 54.840 0.086 0.000 0.836 309 L CB 1.426 43.600 42.059 0.192 0.000 1.238 309 L HN 0.808 nan 8.230 nan 0.000 0.408 310 G N 4.473 113.275 108.800 0.003 0.000 2.237 310 G HA2 -0.138 3.822 3.960 0.000 0.000 0.153 310 G HA3 -0.138 3.822 3.960 0.000 0.000 0.153 310 G C -0.181 174.693 174.900 -0.043 0.000 1.039 310 G CA -0.245 44.849 45.100 -0.011 0.000 0.719 310 G HN 0.611 nan 8.290 nan 0.000 0.491 311 L N 0.480 121.682 121.223 -0.034 0.000 2.525 311 L HA 0.420 4.760 4.340 0.000 0.000 0.278 311 L C 1.522 178.354 176.870 -0.063 0.000 1.218 311 L CA 1.011 55.824 54.840 -0.046 0.000 0.878 311 L CB 0.496 42.532 42.059 -0.038 0.000 1.127 311 L HN 0.375 nan 8.230 nan 0.000 0.492 312 G N 3.319 112.081 108.800 -0.063 0.000 2.971 312 G HA2 0.630 4.590 3.960 0.000 0.000 0.235 312 G HA3 0.630 4.590 3.960 0.000 0.000 0.235 312 G C -2.650 172.178 174.900 -0.120 0.000 1.351 312 G CA -0.741 44.310 45.100 -0.082 0.000 1.039 312 G HN 0.440 nan 8.290 nan 0.000 0.563 313 P HA 0.221 nan 4.420 nan 0.000 0.277 313 P C -0.961 176.268 177.300 -0.118 0.000 1.271 313 P CA -0.466 62.515 63.100 -0.198 0.000 0.795 313 P CB 0.597 32.212 31.700 -0.140 0.000 1.101 314 Y N 0.215 120.503 120.300 -0.020 0.000 2.578 314 Y HA 0.095 4.645 4.550 -0.000 0.000 0.339 314 Y C -1.272 174.622 175.900 -0.010 0.000 1.231 314 Y CA -1.818 56.276 58.100 -0.009 0.000 1.461 314 Y CB -1.202 37.254 38.460 -0.006 0.000 1.323 314 Y HN 0.301 nan 8.280 nan 0.000 0.590 315 P HA 0.144 nan 4.420 nan 0.000 0.274 315 P C -0.397 176.944 177.300 0.070 0.000 1.237 315 P CA -0.206 62.947 63.100 0.089 0.000 0.793 315 P CB 1.178 32.917 31.700 0.066 0.000 0.977 316 L N 1.602 122.851 121.223 0.043 0.000 2.475 316 L HA 0.078 4.418 4.340 0.000 0.000 0.250 316 L C 2.415 179.299 176.870 0.023 0.000 1.224 316 L CA -0.468 54.390 54.840 0.030 0.000 0.821 316 L CB -0.199 41.872 42.059 0.020 0.000 1.141 316 L HN 0.397 nan 8.230 nan 0.000 0.494 317 Q N 1.041 120.850 119.800 0.014 0.000 2.061 317 Q HA -0.196 4.144 4.340 0.000 0.000 0.204 317 Q C 1.678 177.684 176.000 0.009 0.000 0.984 317 Q CA 1.979 57.787 55.803 0.008 0.000 0.846 317 Q CB -0.388 28.353 28.738 0.005 0.000 0.902 317 Q HN 0.734 nan 8.270 nan 0.000 0.421 318 N N -0.103 118.603 118.700 0.010 0.000 2.453 318 N HA -0.149 4.591 4.740 0.000 0.000 0.183 318 N C 0.915 176.430 175.510 0.009 0.000 1.041 318 N CA 0.749 53.804 53.050 0.009 0.000 0.900 318 N CB -0.126 38.367 38.487 0.009 0.000 0.961 318 N HN 0.358 nan 8.380 nan 0.000 0.443 319 E N 0.469 120.677 120.200 0.013 0.000 2.447 319 E HA 0.111 4.461 4.350 0.000 0.000 0.195 319 E C -0.081 176.527 176.600 0.013 0.000 1.028 319 E CA -0.230 56.178 56.400 0.014 0.000 0.876 319 E CB 0.611 30.323 29.700 0.021 0.000 0.885 319 E HN 0.069 nan 8.360 nan 0.000 0.500 320 V N 2.601 122.522 119.914 0.012 0.000 2.617 320 V HA -0.055 4.065 4.120 0.000 0.000 0.304 320 V C 0.104 176.196 176.094 -0.004 0.000 1.040 320 V CA 0.683 62.988 62.300 0.009 0.000 1.149 320 V CB 0.445 32.271 31.823 0.004 0.000 0.914 320 V HN 0.126 nan 8.190 nan 0.000 0.487 321 D N 3.328 123.723 120.400 -0.008 0.000 2.763 321 D HA 0.451 5.091 4.640 0.000 0.000 0.235 321 D C 0.501 176.784 176.300 -0.028 0.000 1.334 321 D CA -0.108 53.873 54.000 -0.031 0.000 0.950 321 D CB 2.164 42.930 40.800 -0.058 0.000 1.433 321 D HN 0.500 nan 8.370 nan 0.000 0.580 322 A N 3.157 125.963 122.820 -0.024 0.000 2.178 322 A HA -0.120 4.200 4.320 0.000 0.000 0.218 322 A C 1.191 178.766 177.584 -0.015 0.000 1.157 322 A CA 1.074 53.110 52.037 -0.003 0.000 0.689 322 A CB 0.070 19.079 19.000 0.014 0.000 0.787 322 A HN 0.467 nan 8.150 nan 0.000 0.465 323 D N -1.509 118.845 120.400 -0.076 0.000 2.339 323 D HA 0.166 4.806 4.640 0.000 0.000 0.217 323 D C -0.204 176.008 176.300 -0.146 0.000 1.050 323 D CA 0.285 54.210 54.000 -0.124 0.000 0.856 323 D CB 0.529 41.188 40.800 -0.236 0.000 0.922 323 D HN 0.335 nan 8.370 nan 0.000 0.518 324 L N 1.974 123.144 121.223 -0.088 0.000 2.417 324 L HA 0.372 4.712 4.340 0.000 0.000 0.259 324 L C -0.762 176.117 176.870 0.015 0.000 1.023 324 L CA -0.700 54.103 54.840 -0.062 0.000 0.901 324 L CB 0.376 42.408 42.059 -0.044 0.000 1.227 324 L HN -0.102 nan 8.230 nan 0.000 0.454 325 I N 0.928 121.521 120.570 0.038 0.000 2.846 325 I HA 0.719 4.889 4.170 0.000 0.000 0.307 325 I C -0.522 175.650 176.117 0.092 0.000 1.053 325 I CA -0.893 60.465 61.300 0.096 0.000 1.050 325 I CB 2.049 40.139 38.000 0.151 0.000 1.239 325 I HN 0.556 nan 8.210 nan 0.000 0.439 326 N N 2.926 121.706 118.700 0.132 0.000 2.476 326 N HA 0.380 5.120 4.740 0.000 0.000 0.287 326 N C 0.754 176.381 175.510 0.195 0.000 1.262 326 N CA -0.142 52.974 53.050 0.111 0.000 0.980 326 N CB 0.624 39.189 38.487 0.130 0.000 1.163 326 N HN 0.805 nan 8.380 nan 0.000 0.592 327 A N -0.966 121.958 122.820 0.173 0.000 2.019 327 A HA 0.052 4.372 4.320 0.000 0.000 0.219 327 A C 1.765 179.548 177.584 0.332 0.000 1.164 327 A CA 1.534 53.771 52.037 0.334 0.000 0.644 327 A CB -1.484 17.648 19.000 0.220 0.000 0.805 327 A HN 0.811 nan 8.150 nan 0.000 0.449 328 G N -1.471 107.460 108.800 0.219 0.000 3.124 328 G HA2 0.251 4.211 3.960 0.000 0.000 0.212 328 G HA3 0.251 4.211 3.960 0.000 0.000 0.212 328 G C 0.473 175.474 174.900 0.169 0.000 1.181 328 G CA 0.381 45.582 45.100 0.169 0.000 0.803 328 G HN 0.294 nan 8.290 nan 0.000 0.529 329 K N -0.143 120.391 120.400 0.224 0.000 3.230 329 K HA -0.158 4.162 4.320 0.000 0.000 0.285 329 K C -0.100 176.578 176.600 0.129 0.000 1.196 329 K CA 0.866 57.265 56.287 0.187 0.000 0.838 329 K CB -2.015 30.561 32.500 0.127 0.000 1.262 329 K HN 0.659 nan 8.250 nan 0.000 0.492 330 E N 0.615 120.894 120.200 0.132 0.000 2.202 330 E HA 0.291 4.641 4.350 0.000 0.000 0.272 330 E C 0.119 176.778 176.600 0.098 0.000 0.951 330 E CA -0.639 55.805 56.400 0.073 0.000 0.813 330 E CB 1.056 30.792 29.700 0.059 0.000 1.151 330 E HN 0.229 nan 8.360 nan 0.000 0.398 331 T N -0.755 113.826 114.554 0.046 0.000 2.916 331 T HA 0.349 4.699 4.350 0.000 0.000 0.303 331 T C 0.394 175.185 174.700 0.151 0.000 1.025 331 T CA -0.739 61.403 62.100 0.068 0.000 1.142 331 T CB 0.286 69.170 68.868 0.027 0.000 0.947 331 T HN 0.316 nan 8.240 nan 0.000 0.544 332 V N -0.597 119.401 119.914 0.139 0.000 3.103 332 V HA 0.975 5.095 4.120 0.000 0.000 0.311 332 V C -0.053 176.094 176.094 0.087 0.000 1.322 332 V CA -0.709 61.685 62.300 0.157 0.000 1.063 332 V CB 1.489 33.389 31.823 0.129 0.000 1.090 332 V HN 1.268 nan 8.190 nan 0.000 0.462 333 T N -1.204 113.384 114.554 0.057 0.000 2.864 333 T HA 0.891 5.241 4.350 0.000 0.000 0.289 333 T C -0.431 174.276 174.700 0.013 0.000 1.082 333 T CA -0.153 61.968 62.100 0.036 0.000 1.009 333 T CB 1.545 70.425 68.868 0.019 0.000 1.234 333 T HN 2.152 nan 8.240 nan 0.000 0.526 334 V N -0.860 119.055 119.914 0.002 0.000 2.960 334 V HA 0.782 4.902 4.120 0.000 0.000 0.315 334 V C -0.423 175.645 176.094 -0.044 0.000 1.087 334 V CA -1.325 60.950 62.300 -0.042 0.000 0.982 334 V CB 1.143 32.900 31.823 -0.109 0.000 1.039 334 V HN 1.009 nan 8.190 nan 0.000 0.437 335 L N 1.220 122.412 121.223 -0.053 0.000 2.448 335 L HA 0.579 4.919 4.340 0.000 0.000 0.258 335 L C -2.104 174.742 176.870 -0.041 0.000 1.104 335 L CA -1.882 52.935 54.840 -0.038 0.000 0.800 335 L CB 1.015 43.058 42.059 -0.027 0.000 1.241 335 L HN 0.468 nan 8.230 nan 0.000 0.472 336 P HA 0.073 nan 4.420 nan 0.000 0.268 336 P C 0.409 177.686 177.300 -0.038 0.000 1.208 336 P CA 0.393 63.477 63.100 -0.026 0.000 0.777 336 P CB 0.432 32.124 31.700 -0.013 0.000 0.875 337 G N 0.120 108.891 108.800 -0.049 0.000 2.179 337 G HA2 -0.110 3.850 3.960 0.000 0.000 0.257 337 G HA3 -0.110 3.850 3.960 0.000 0.000 0.257 337 G C 0.462 175.296 174.900 -0.111 0.000 1.010 337 G CA 0.076 45.136 45.100 -0.067 0.000 0.736 337 G HN 0.833 nan 8.290 nan 0.000 0.513 338 A N -0.583 122.153 122.820 -0.141 0.000 2.259 338 A HA 0.926 5.246 4.320 0.000 0.000 0.278 338 A C 0.783 178.202 177.584 -0.274 0.000 1.107 338 A CA 0.811 52.715 52.037 -0.221 0.000 0.828 338 A CB 0.849 19.667 19.000 -0.303 0.000 1.111 338 A HN 2.034 nan 8.150 nan 0.000 0.498 339 S N -1.617 113.877 115.700 -0.343 0.000 2.607 339 S HA 0.766 5.236 4.470 0.000 0.000 0.273 339 S C -1.484 172.818 174.600 -0.497 0.000 1.148 339 S CA -0.627 57.414 58.200 -0.265 0.000 0.833 339 S CB 0.904 64.112 63.200 0.013 0.000 1.130 339 S HN 0.567 nan 8.310 nan 0.000 0.470 340 Y N 0.465 120.672 120.300 -0.155 0.000 2.536 340 Y HA 0.833 5.383 4.550 -0.000 0.000 0.347 340 Y C -0.495 175.173 175.900 -0.386 0.000 1.000 340 Y CA -1.218 56.578 58.100 -0.506 0.000 1.051 340 Y CB 1.795 40.056 38.460 -0.333 0.000 1.259 340 Y HN 0.907 nan 8.280 nan 0.000 0.468 341 F N -2.025 117.900 119.950 -0.040 0.000 2.773 341 F HA 0.654 5.181 4.527 -0.000 0.000 0.314 341 F C -0.386 175.288 175.800 -0.210 0.000 1.160 341 F CA -1.722 56.184 58.000 -0.157 0.000 0.920 341 F CB 0.381 39.280 39.000 -0.168 0.000 1.323 341 F HN 0.356 nan 8.300 nan 0.000 0.457 342 S N -0.011 115.657 115.700 -0.054 0.000 2.596 342 S HA 0.216 4.686 4.470 0.000 0.000 0.260 342 S C 0.713 175.225 174.600 -0.146 0.000 1.336 342 S CA 0.083 58.163 58.200 -0.199 0.000 0.993 342 S CB 1.068 64.118 63.200 -0.249 0.000 0.923 342 S HN 0.706 nan 8.310 nan 0.000 0.567 343 S N 1.356 116.869 115.700 -0.312 0.000 2.399 343 S HA -0.118 4.352 4.470 0.000 0.000 0.231 343 S C 1.683 176.180 174.600 -0.172 0.000 1.022 343 S CA 1.249 59.236 58.200 -0.355 0.000 0.983 343 S CB -0.618 61.937 63.200 -1.074 0.000 0.803 343 S HN 0.925 nan 8.310 nan 0.000 0.480 344 D N 1.201 121.465 120.400 -0.227 0.000 2.183 344 D HA -0.118 4.522 4.640 0.000 0.000 0.203 344 D C 1.779 178.032 176.300 -0.078 0.000 0.969 344 D CA 0.880 54.804 54.000 -0.127 0.000 0.842 344 D CB -0.324 40.375 40.800 -0.169 0.000 0.957 344 D HN 0.319 nan 8.370 nan 0.000 0.484 345 E N 1.351 121.497 120.200 -0.091 0.000 2.046 345 E HA -0.139 4.211 4.350 0.000 0.000 0.190 345 E C 2.087 178.587 176.600 -0.167 0.000 0.982 345 E CA 1.388 57.710 56.400 -0.129 0.000 0.800 345 E CB -0.515 29.124 29.700 -0.100 0.000 0.756 345 E HN 0.109 nan 8.360 nan 0.000 0.449 346 S N -1.156 114.544 115.700 0.000 0.000 2.374 346 S HA -0.161 4.309 4.470 0.000 0.000 0.227 346 S C 1.664 176.086 174.600 -0.297 0.000 1.037 346 S CA 1.449 59.615 58.200 -0.057 0.000 1.024 346 S CB -0.489 62.697 63.200 -0.023 0.000 0.861 346 S HN 0.370 nan 8.310 nan 0.000 0.456 347 F N 1.219 121.129 119.950 -0.066 0.000 2.615 347 F HA 0.364 4.891 4.527 0.000 0.000 0.297 347 F C 2.293 178.062 175.800 -0.052 0.000 1.124 347 F CA 0.373 58.347 58.000 -0.043 0.000 1.451 347 F CB -0.493 38.488 39.000 -0.032 0.000 1.103 347 F HN 0.268 nan 8.300 nan 0.000 0.569 348 A N -0.140 122.691 122.820 0.018 0.000 1.898 348 A HA -0.193 4.127 4.320 0.000 0.000 0.216 348 A C 2.258 179.828 177.584 -0.023 0.000 1.181 348 A CA 1.458 53.480 52.037 -0.024 0.000 0.620 348 A CB -0.665 18.272 19.000 -0.106 0.000 0.819 348 A HN 0.369 nan 8.150 nan 0.000 0.442 349 M N -0.483 119.027 119.600 -0.150 0.000 2.065 349 M HA -0.139 4.341 4.480 0.000 0.000 0.259 349 M C 1.987 178.290 176.300 0.004 0.000 1.069 349 M CA 1.901 57.097 55.300 -0.173 0.000 1.110 349 M CB -0.306 32.050 32.600 -0.407 0.000 1.328 349 M HN 0.451 nan 8.290 nan 0.000 0.405 350 I N -0.704 119.833 120.570 -0.054 0.000 2.133 350 I HA -0.307 3.863 4.170 0.000 0.000 0.238 350 I C 2.612 178.783 176.117 0.089 0.000 1.074 350 I CA 1.345 62.646 61.300 0.002 0.000 1.342 350 I CB -0.584 37.381 38.000 -0.058 0.000 1.053 350 I HN 0.331 nan 8.210 nan 0.000 0.404 351 R N 1.121 121.707 120.500 0.144 0.000 2.159 351 R HA -0.148 4.192 4.340 0.000 0.000 0.237 351 R C 1.950 178.318 176.300 0.112 0.000 1.131 351 R CA 1.476 57.670 56.100 0.156 0.000 0.982 351 R CB -0.363 30.048 30.300 0.185 0.000 0.868 351 R HN 0.452 nan 8.270 nan 0.000 0.453 352 G N -1.166 107.698 108.800 0.108 0.000 2.920 352 G HA2 0.100 4.060 3.960 0.000 0.000 0.208 352 G HA3 0.100 4.060 3.960 0.000 0.000 0.208 352 G C 0.817 175.603 174.900 -0.190 0.000 1.159 352 G CA 0.327 45.453 45.100 0.045 0.000 0.784 352 G HN 0.509 nan 8.290 nan 0.000 0.535 353 G N 0.071 108.823 108.800 -0.079 0.000 2.168 353 G HA2 -0.308 3.652 3.960 0.000 0.000 0.257 353 G HA3 -0.308 3.652 3.960 0.000 0.000 0.257 353 G C 0.900 175.697 174.900 -0.173 0.000 0.997 353 G CA 0.578 45.611 45.100 -0.111 0.000 0.708 353 G HN 0.614 nan 8.290 nan 0.000 0.520 354 H N -1.090 117.941 119.070 -0.066 0.000 2.546 354 H HA 0.140 4.696 4.556 0.000 0.000 0.277 354 H C 1.267 176.539 175.328 -0.092 0.000 1.004 354 H CA 1.114 57.093 56.048 -0.114 0.000 1.231 354 H CB 0.381 30.022 29.762 -0.202 0.000 1.382 354 H HN 0.334 nan 8.280 nan 0.000 0.580 355 V N 2.301 122.249 119.914 0.057 0.000 2.432 355 V HA -0.005 4.115 4.120 0.000 0.000 0.275 355 V C 0.675 176.836 176.094 0.111 0.000 1.043 355 V CA -0.139 62.220 62.300 0.098 0.000 0.925 355 V CB 1.446 33.312 31.823 0.073 0.000 0.985 355 V HN 0.379 nan 8.190 nan 0.000 0.466 356 N N 3.464 122.266 118.700 0.170 0.000 2.171 356 N HA 0.013 4.753 4.740 0.000 0.000 0.184 356 N C 0.117 175.682 175.510 0.093 0.000 1.021 356 N CA 0.508 53.634 53.050 0.126 0.000 0.854 356 N CB 0.149 38.725 38.487 0.149 0.000 0.994 356 N HN 0.484 nan 8.380 nan 0.000 0.426 357 L N 0.571 121.860 121.223 0.110 0.000 2.349 357 L HA 0.418 4.758 4.340 0.000 0.000 0.278 357 L C -1.248 175.673 176.870 0.085 0.000 0.996 357 L CA -0.268 54.620 54.840 0.080 0.000 0.825 357 L CB 1.985 44.090 42.059 0.076 0.000 1.243 357 L HN -0.196 nan 8.230 nan 0.000 0.412 358 T N 6.529 121.120 114.554 0.061 0.000 2.772 358 T HA 0.532 4.882 4.350 0.000 0.000 0.288 358 T C -0.540 174.188 174.700 0.047 0.000 0.994 358 T CA -0.094 62.044 62.100 0.065 0.000 0.951 358 T CB 0.632 69.538 68.868 0.063 0.000 0.933 358 T HN 0.651 nan 8.240 nan 0.000 0.447 359 M N 6.287 125.920 119.600 0.053 0.000 2.253 359 M HA 0.740 5.220 4.480 0.000 0.000 0.314 359 M C -1.453 174.878 176.300 0.052 0.000 1.019 359 M CA -0.793 54.526 55.300 0.032 0.000 0.932 359 M CB 0.880 33.482 32.600 0.003 0.000 1.606 359 M HN 0.684 nan 8.290 nan 0.000 0.430 360 L N 1.754 123.004 121.223 0.045 0.000 2.502 360 L HA 1.046 5.386 4.340 0.000 0.000 0.253 360 L C -0.450 176.447 176.870 0.045 0.000 1.070 360 L CA -1.073 53.799 54.840 0.054 0.000 0.871 360 L CB 1.389 43.486 42.059 0.063 0.000 1.487 360 L HN 0.667 nan 8.230 nan 0.000 0.408 361 G N -0.548 108.282 108.800 0.050 0.000 2.557 361 G HA2 0.774 4.734 3.960 0.000 0.000 0.292 361 G HA3 0.774 4.734 3.960 0.000 0.000 0.292 361 G C -0.933 173.993 174.900 0.043 0.000 1.237 361 G CA -0.097 45.028 45.100 0.041 0.000 0.978 361 G HN 1.220 nan 8.290 nan 0.000 0.498 362 A N -0.672 122.167 122.820 0.030 0.000 2.605 362 A HA 0.578 4.898 4.320 0.000 0.000 0.294 362 A C 0.345 177.937 177.584 0.013 0.000 1.062 362 A CA -0.524 51.531 52.037 0.030 0.000 0.682 362 A CB 1.040 20.051 19.000 0.019 0.000 1.278 362 A HN 0.544 nan 8.150 nan 0.000 0.410 363 M N -0.202 119.406 119.600 0.014 0.000 2.466 363 M HA 0.137 4.617 4.480 0.000 0.000 0.265 363 M C 0.359 176.650 176.300 -0.015 0.000 1.122 363 M CA 1.258 56.557 55.300 -0.003 0.000 1.157 363 M CB 0.266 32.860 32.600 -0.009 0.000 1.352 363 M HN 0.731 nan 8.290 nan 0.000 0.464 364 Q N -0.336 119.457 119.800 -0.012 0.000 2.418 364 Q HA 0.605 4.945 4.340 0.000 0.000 0.282 364 Q C -1.532 174.452 176.000 -0.027 0.000 1.044 364 Q CA -0.690 55.098 55.803 -0.025 0.000 0.813 364 Q CB 3.652 32.379 28.738 -0.018 0.000 1.428 364 Q HN -0.068 nan 8.270 nan 0.000 0.402 365 V N 1.160 121.039 119.914 -0.058 0.000 2.686 365 V HA 0.459 4.579 4.120 0.000 0.000 0.306 365 V C -0.352 175.687 176.094 -0.091 0.000 1.065 365 V CA -0.729 61.532 62.300 -0.065 0.000 0.894 365 V CB 1.883 33.647 31.823 -0.099 0.000 1.004 365 V HN 0.918 nan 8.190 nan 0.000 0.424 366 S N 3.279 118.942 115.700 -0.062 0.000 2.672 366 S HA 0.403 4.873 4.470 0.000 0.000 0.276 366 S C 1.079 175.581 174.600 -0.163 0.000 1.207 366 S CA -0.354 57.797 58.200 -0.082 0.000 1.002 366 S CB 1.442 64.638 63.200 -0.007 0.000 0.998 366 S HN 0.742 nan 8.310 nan 0.000 0.542 367 K N 0.024 120.257 120.400 -0.279 0.000 2.097 367 K HA -0.228 4.092 4.320 0.000 0.000 0.214 367 K C 0.699 176.964 176.600 -0.558 0.000 1.052 367 K CA 2.109 58.079 56.287 -0.528 0.000 0.932 367 K CB -0.437 31.548 32.500 -0.858 0.000 0.716 367 K HN 0.816 nan 8.250 nan 0.000 0.455 368 Y N -1.157 119.129 120.300 -0.023 0.000 2.493 368 Y HA 0.241 4.791 4.550 -0.001 0.000 0.275 368 Y C 1.287 177.185 175.900 -0.003 0.000 1.183 368 Y CA 0.272 58.368 58.100 -0.007 0.000 1.258 368 Y CB 0.971 39.434 38.460 0.004 0.000 1.108 368 Y HN 0.347 nan 8.280 nan 0.000 0.521 369 G N -0.786 108.056 108.800 0.070 0.000 2.184 369 G HA2 -0.230 3.730 3.960 0.000 0.000 0.206 369 G HA3 -0.230 3.730 3.960 0.000 0.000 0.206 369 G C -0.310 174.625 174.900 0.059 0.000 0.995 369 G CA -0.362 44.773 45.100 0.058 0.000 0.651 369 G HN 0.227 nan 8.290 nan 0.000 0.511 370 D N 0.214 120.654 120.400 0.067 0.000 2.399 370 D HA 0.497 5.137 4.640 0.000 0.000 0.241 370 D C 0.326 176.654 176.300 0.045 0.000 1.133 370 D CA 0.252 54.290 54.000 0.062 0.000 0.890 370 D CB 1.740 42.577 40.800 0.062 0.000 1.201 370 D HN 0.446 nan 8.370 nan 0.000 0.432 371 L N 0.711 121.972 121.223 0.063 0.000 2.386 371 L HA 0.700 5.040 4.340 0.000 0.000 0.271 371 L C -1.440 175.494 176.870 0.105 0.000 0.993 371 L CA -0.842 54.038 54.840 0.067 0.000 0.819 371 L CB 1.889 43.992 42.059 0.073 0.000 1.294 371 L HN 0.352 nan 8.230 nan 0.000 0.414 372 A N 3.833 126.707 122.820 0.090 0.000 2.340 372 A HA 0.633 4.953 4.320 0.000 0.000 0.297 372 A C -0.329 177.316 177.584 0.103 0.000 1.195 372 A CA -0.237 51.865 52.037 0.108 0.000 0.769 372 A CB 0.285 19.306 19.000 0.034 0.000 1.163 372 A HN 0.853 nan 8.150 nan 0.000 0.472 373 N N 1.569 120.387 118.700 0.196 0.000 2.081 373 N HA -0.018 4.722 4.740 0.000 0.000 0.230 373 N C 0.387 176.042 175.510 0.242 0.000 1.351 373 N CA 0.221 53.370 53.050 0.165 0.000 0.840 373 N CB 0.171 38.752 38.487 0.156 0.000 1.189 373 N HN 0.822 nan 8.380 nan 0.000 0.503 374 W N 0.364 121.698 121.300 0.057 0.000 2.942 374 W HA 0.535 5.195 4.660 0.000 0.000 0.260 374 W C -0.206 176.365 176.519 0.086 0.000 1.101 374 W CA -0.254 57.143 57.345 0.087 0.000 1.436 374 W CB 0.226 29.742 29.460 0.093 0.000 0.883 374 W HN -0.103 nan 8.180 nan 0.000 0.646 375 M N 1.482 120.577 119.600 -0.841 0.000 2.518 375 M HA 0.605 5.085 4.480 0.000 0.000 0.300 375 M C -2.118 173.918 176.300 -0.440 0.000 1.175 375 M CA -0.634 54.203 55.300 -0.771 0.000 0.890 375 M CB 2.820 34.522 32.600 -1.496 0.000 1.710 375 M HN -0.109 nan 8.290 nan 0.000 0.453 376 I N 4.848 125.249 120.570 -0.282 0.000 2.503 376 I HA 0.363 4.533 4.170 0.000 0.000 0.282 376 I C -2.328 173.690 176.117 -0.164 0.000 1.059 376 I CA -1.867 59.320 61.300 -0.187 0.000 1.081 376 I CB 2.065 39.990 38.000 -0.125 0.000 1.210 376 I HN 0.488 nan 8.210 nan 0.000 0.450 377 P HA -0.067 nan 4.420 nan 0.000 0.259 377 P C 0.779 178.009 177.300 -0.117 0.000 1.155 377 P CA 0.886 63.919 63.100 -0.112 0.000 0.759 377 P CB 0.314 31.963 31.700 -0.084 0.000 0.753 378 G N 2.531 111.247 108.800 -0.141 0.000 2.338 378 G HA2 -0.307 3.653 3.960 0.000 0.000 0.296 378 G HA3 -0.307 3.653 3.960 0.000 0.000 0.296 378 G C 0.539 175.342 174.900 -0.162 0.000 1.040 378 G CA 0.827 45.811 45.100 -0.193 0.000 1.004 378 G HN 0.699 nan 8.290 nan 0.000 0.509 379 K N -2.338 117.974 120.400 -0.146 0.000 2.432 379 K HA 0.090 4.410 4.320 0.000 0.000 0.143 379 K C -0.308 176.233 176.600 -0.098 0.000 2.184 379 K CA -0.101 56.117 56.287 -0.115 0.000 1.300 379 K CB -0.121 32.323 32.500 -0.093 0.000 2.435 379 K HN 0.497 nan 8.250 nan 0.000 0.512 380 L N 2.727 123.889 121.223 -0.102 0.000 2.353 380 L HA 0.395 4.735 4.340 0.000 0.000 0.270 380 L C -0.500 176.319 176.870 -0.085 0.000 1.003 380 L CA -0.251 54.542 54.840 -0.078 0.000 0.862 380 L CB 1.536 43.551 42.059 -0.074 0.000 1.221 380 L HN 0.079 nan 8.230 nan 0.000 0.430 381 V N 0.672 120.558 119.914 -0.047 0.000 3.111 381 V HA 0.331 4.451 4.120 0.000 0.000 0.343 381 V C 1.124 177.268 176.094 0.082 0.000 1.417 381 V CA -0.256 62.060 62.300 0.027 0.000 1.142 381 V CB -0.305 31.506 31.823 -0.021 0.000 1.114 381 V HN 0.614 nan 8.190 nan 0.000 0.520 382 K N 2.100 122.486 120.400 -0.024 0.000 2.504 382 K HA 0.442 4.762 4.320 0.000 0.000 0.195 382 K C 1.137 177.639 176.600 -0.162 0.000 1.036 382 K CA 0.771 56.899 56.287 -0.265 0.000 0.984 382 K CB -0.013 32.178 32.500 -0.516 0.000 0.788 382 K HN 0.981 nan 8.250 nan 0.000 0.488 383 G N 1.210 110.167 108.800 0.262 0.000 2.661 383 G HA2 -0.214 3.746 3.960 0.000 0.000 0.685 383 G HA3 -0.214 3.746 3.960 0.000 0.000 0.685 383 G C 0.224 175.508 174.900 0.640 0.000 1.298 383 G CA -0.187 45.180 45.100 0.444 0.000 0.855 383 G HN 0.071 nan 8.290 nan 0.000 0.560 384 M N 0.466 120.267 119.600 0.335 0.000 2.509 384 M HA 0.382 4.862 4.480 0.000 0.000 0.250 384 M C 1.534 177.878 176.300 0.074 0.000 1.132 384 M CA 2.050 57.422 55.300 0.119 0.000 1.080 384 M CB -1.242 31.092 32.600 -0.444 0.000 1.408 384 M HN 2.796 nan 8.290 nan 0.000 0.484 385 G N 1.483 110.361 108.800 0.131 0.000 2.596 385 G HA2 -0.320 3.640 3.960 0.000 0.000 0.295 385 G HA3 -0.320 3.640 3.960 0.000 0.000 0.295 385 G C 0.640 175.580 174.900 0.067 0.000 1.240 385 G CA 0.436 45.573 45.100 0.062 0.000 0.985 385 G HN 0.764 nan 8.290 nan 0.000 0.555 386 G N -0.084 108.811 108.800 0.157 0.000 3.042 386 G HA2 0.519 4.479 3.960 0.000 0.000 0.212 386 G HA3 0.519 4.479 3.960 0.000 0.000 0.212 386 G C 1.848 176.868 174.900 0.201 0.000 1.166 386 G CA 1.871 47.130 45.100 0.265 0.000 0.767 386 G HN 1.736 nan 8.290 nan 0.000 0.546 387 A N 1.507 124.389 122.820 0.103 0.000 1.884 387 A HA -0.175 4.145 4.320 0.000 0.000 0.219 387 A C 2.357 179.973 177.584 0.053 0.000 1.197 387 A CA 1.928 54.014 52.037 0.081 0.000 0.637 387 A CB -0.437 18.606 19.000 0.071 0.000 0.827 387 A HN 0.390 nan 8.150 nan 0.000 0.450 388 M N -0.797 118.786 119.600 -0.029 0.000 2.279 388 M HA -0.151 4.329 4.480 0.000 0.000 0.264 388 M C 1.360 177.682 176.300 0.038 0.000 1.062 388 M CA 1.491 56.766 55.300 -0.042 0.000 1.099 388 M CB -0.571 31.939 32.600 -0.149 0.000 1.394 388 M HN 0.427 nan 8.290 nan 0.000 0.426 389 D N 0.470 120.923 120.400 0.088 0.000 2.137 389 D HA -0.029 4.611 4.640 0.000 0.000 0.202 389 D C 2.083 178.508 176.300 0.209 0.000 0.970 389 D CA 1.085 55.194 54.000 0.181 0.000 0.837 389 D CB 0.027 41.012 40.800 0.307 0.000 0.981 389 D HN 0.357 nan 8.370 nan 0.000 0.475 390 L N 1.037 122.384 121.223 0.207 0.000 2.191 390 L HA -0.114 4.226 4.340 0.000 0.000 0.212 390 L C 2.131 179.063 176.870 0.104 0.000 1.103 390 L CA 0.714 55.645 54.840 0.151 0.000 0.769 390 L CB -0.022 42.120 42.059 0.138 0.000 0.908 390 L HN 0.010 nan 8.230 nan 0.000 0.438 391 V N -4.985 114.984 119.914 0.093 0.000 3.376 391 V HA 0.152 4.272 4.120 0.000 0.000 0.313 391 V C 1.835 177.970 176.094 0.068 0.000 1.393 391 V CA 0.502 62.846 62.300 0.073 0.000 1.125 391 V CB 0.145 32.009 31.823 0.068 0.000 1.037 391 V HN 0.348 nan 8.190 nan 0.000 0.440 392 S N -0.507 115.240 115.700 0.079 0.000 2.470 392 S HA 0.121 4.591 4.470 0.000 0.000 0.225 392 S C 1.167 175.793 174.600 0.044 0.000 1.006 392 S CA 0.756 58.996 58.200 0.067 0.000 0.934 392 S CB -0.114 63.143 63.200 0.095 0.000 0.778 392 S HN 0.588 nan 8.310 nan 0.000 0.517 393 S N 0.498 116.229 115.700 0.052 0.000 2.457 393 S HA 0.703 5.173 4.470 0.000 0.000 0.289 393 S C 1.023 175.635 174.600 0.020 0.000 1.163 393 S CA -0.207 58.014 58.200 0.035 0.000 1.078 393 S CB 1.100 64.322 63.200 0.036 0.000 0.987 393 S HN 0.524 nan 8.310 nan 0.000 0.482 394 A N 4.840 127.664 122.820 0.006 0.000 2.015 394 A HA -0.027 4.293 4.320 0.000 0.000 0.219 394 A C 1.886 179.475 177.584 0.007 0.000 1.163 394 A CA 1.651 53.691 52.037 0.006 0.000 0.646 394 A CB -0.456 18.542 19.000 -0.004 0.000 0.806 394 A HN 0.884 nan 8.150 nan 0.000 0.448 395 K N -0.297 120.103 120.400 -0.001 0.000 2.365 395 K HA -0.009 4.311 4.320 0.000 0.000 0.199 395 K C -0.072 176.531 176.600 0.004 0.000 1.045 395 K CA 1.261 57.543 56.287 -0.008 0.000 0.962 395 K CB -0.282 32.196 32.500 -0.037 0.000 0.759 395 K HN 0.242 nan 8.250 nan 0.000 0.469 396 T N 1.569 116.131 114.554 0.014 0.000 2.806 396 T HA 0.121 4.471 4.350 0.000 0.000 0.290 396 T C -0.872 173.847 174.700 0.032 0.000 0.966 396 T CA -0.646 61.471 62.100 0.029 0.000 1.060 396 T CB 1.378 70.269 68.868 0.038 0.000 0.927 396 T HN 0.139 nan 8.240 nan 0.000 0.485 397 K N 3.247 123.667 120.400 0.034 0.000 2.349 397 K HA 0.306 4.626 4.320 0.000 0.000 0.289 397 K C -0.897 175.719 176.600 0.027 0.000 1.064 397 K CA -0.343 55.960 56.287 0.027 0.000 0.947 397 K CB 0.227 32.739 32.500 0.020 0.000 1.007 397 K HN 0.312 nan 8.250 nan 0.000 0.478 398 V N 5.894 125.824 119.914 0.028 0.000 2.333 398 V HA 0.209 4.329 4.120 0.000 0.000 0.274 398 V C -0.446 175.659 176.094 0.018 0.000 1.028 398 V CA -0.827 61.491 62.300 0.029 0.000 0.851 398 V CB 1.343 33.189 31.823 0.039 0.000 1.000 398 V HN 0.480 nan 8.190 nan 0.000 0.456 399 V N 5.959 125.877 119.914 0.008 0.000 2.384 399 V HA 0.432 4.552 4.120 0.000 0.000 0.287 399 V C -0.024 176.072 176.094 0.002 0.000 1.020 399 V CA -0.681 61.616 62.300 -0.005 0.000 0.850 399 V CB 1.915 33.715 31.823 -0.039 0.000 0.987 399 V HN 0.551 nan 8.190 nan 0.000 0.436 400 V N 4.621 124.538 119.914 0.006 0.000 2.407 400 V HA 0.478 4.598 4.120 0.000 0.000 0.278 400 V C 0.492 176.587 176.094 0.002 0.000 1.037 400 V CA -0.225 62.080 62.300 0.007 0.000 0.900 400 V CB 1.964 33.787 31.823 0.001 0.000 0.983 400 V HN 1.044 nan 8.190 nan 0.000 0.459 401 T N 4.391 118.948 114.554 0.005 0.000 2.770 401 T HA 0.844 5.194 4.350 0.000 0.000 0.283 401 T C -0.650 174.052 174.700 0.003 0.000 0.988 401 T CA -0.682 61.419 62.100 0.002 0.000 0.957 401 T CB 1.200 70.073 68.868 0.007 0.000 0.930 401 T HN 0.755 nan 8.240 nan 0.000 0.443 402 M N 0.231 119.827 119.600 -0.007 0.000 2.732 402 M HA 0.606 5.086 4.480 0.000 0.000 0.272 402 M C -1.242 175.049 176.300 -0.015 0.000 1.203 402 M CA -1.024 54.270 55.300 -0.011 0.000 0.841 402 M CB 1.570 34.157 32.600 -0.021 0.000 1.685 402 M HN 0.374 nan 8.290 nan 0.000 0.492 403 E N 0.792 120.986 120.200 -0.009 0.000 2.413 403 E HA 0.003 4.353 4.350 0.000 0.000 0.263 403 E C 0.162 176.771 176.600 0.014 0.000 1.015 403 E CA 0.373 56.776 56.400 0.006 0.000 0.916 403 E CB 0.741 30.446 29.700 0.007 0.000 0.947 403 E HN 0.754 nan 8.360 nan 0.000 0.440 404 H N 1.388 120.456 119.070 -0.003 0.000 2.290 404 H HA -0.059 4.497 4.556 -0.000 0.000 0.298 404 H C -0.004 175.344 175.328 0.033 0.000 1.087 404 H CA 1.661 57.724 56.048 0.025 0.000 1.291 404 H CB 0.449 30.229 29.762 0.031 0.000 1.369 404 H HN 0.189 nan 8.280 nan 0.000 0.492 405 S N -1.099 114.697 115.700 0.159 0.000 2.600 405 S HA 0.705 5.175 4.470 0.000 0.000 0.300 405 S C -0.670 173.952 174.600 0.036 0.000 1.087 405 S CA -0.523 57.739 58.200 0.104 0.000 0.965 405 S CB 2.068 65.346 63.200 0.130 0.000 1.089 405 S HN 0.578 nan 8.310 nan 0.000 0.496 406 A N 1.298 124.125 122.820 0.010 0.000 2.242 406 A HA 0.701 5.021 4.320 0.000 0.000 0.304 406 A C 0.034 177.608 177.584 -0.015 0.000 1.100 406 A CA -0.505 51.528 52.037 -0.007 0.000 0.860 406 A CB 0.008 18.999 19.000 -0.015 0.000 1.168 406 A HN 0.657 nan 8.150 nan 0.000 0.503 407 K N -0.007 120.382 120.400 -0.017 0.000 2.550 407 K HA 0.269 4.589 4.320 0.000 0.000 0.280 407 K C 0.973 177.555 176.600 -0.030 0.000 0.987 407 K CA 1.642 57.917 56.287 -0.020 0.000 1.048 407 K CB -0.600 31.888 32.500 -0.019 0.000 0.879 407 K HN 2.070 nan 8.250 nan 0.000 0.491 408 G N 3.502 112.285 108.800 -0.029 0.000 2.176 408 G HA2 -0.377 3.583 3.960 0.000 0.000 0.252 408 G HA3 -0.377 3.583 3.960 0.000 0.000 0.252 408 G C 0.282 175.148 174.900 -0.056 0.000 1.024 408 G CA 0.615 45.693 45.100 -0.037 0.000 0.755 408 G HN 1.148 nan 8.290 nan 0.000 0.507 409 N N -2.002 116.669 118.700 -0.048 0.000 2.721 409 N HA -0.080 4.660 4.740 0.000 0.000 0.249 409 N C 0.705 176.121 175.510 -0.157 0.000 1.072 409 N CA 1.859 54.871 53.050 -0.062 0.000 0.710 409 N CB -1.057 37.401 38.487 -0.048 0.000 0.993 409 N HN 1.898 nan 8.380 nan 0.000 0.547 410 A N 0.508 123.248 122.820 -0.134 0.000 2.388 410 A HA 0.359 4.679 4.320 0.000 0.000 0.257 410 A C 0.152 177.648 177.584 -0.146 0.000 1.095 410 A CA -0.268 51.654 52.037 -0.191 0.000 0.791 410 A CB 0.259 19.203 19.000 -0.094 0.000 1.029 410 A HN 0.468 nan 8.150 nan 0.000 0.489 411 H N 1.076 120.157 119.070 0.017 0.000 2.707 411 H HA 0.177 4.733 4.556 -0.000 0.000 0.359 411 H C 0.342 175.657 175.328 -0.021 0.000 1.113 411 H CA 0.365 56.421 56.048 0.014 0.000 1.422 411 H CB 1.067 30.837 29.762 0.014 0.000 1.443 411 H HN 0.759 nan 8.280 nan 0.000 0.591 412 K N 1.303 121.752 120.400 0.082 0.000 2.474 412 K HA 0.272 4.592 4.320 0.000 0.000 0.202 412 K C 0.294 176.854 176.600 -0.067 0.000 1.248 412 K CA 0.171 56.451 56.287 -0.011 0.000 0.946 412 K CB 0.942 33.415 32.500 -0.045 0.000 1.102 412 K HN 0.347 nan 8.250 nan 0.000 0.541 413 I N 3.797 124.296 120.570 -0.119 0.000 2.304 413 I HA 0.239 4.410 4.170 0.000 0.000 0.291 413 I C -0.101 175.924 176.117 -0.152 0.000 1.018 413 I CA -0.280 60.896 61.300 -0.206 0.000 1.260 413 I CB 0.796 38.570 38.000 -0.376 0.000 1.390 413 I HN 0.091 nan 8.210 nan 0.000 0.475 414 M N 2.731 122.250 119.600 -0.134 0.000 2.843 414 M HA 0.530 5.010 4.480 0.000 0.000 0.273 414 M C 0.300 176.530 176.300 -0.117 0.000 1.286 414 M CA -0.730 54.504 55.300 -0.110 0.000 0.807 414 M CB 1.538 34.115 32.600 -0.039 0.000 1.684 414 M HN 0.179 nan 8.290 nan 0.000 0.458 415 E N 1.563 121.708 120.200 -0.091 0.000 2.021 415 E HA 0.012 4.362 4.350 0.000 0.000 0.200 415 E C -0.280 176.297 176.600 -0.038 0.000 1.015 415 E CA 1.951 58.304 56.400 -0.079 0.000 0.824 415 E CB 0.314 29.994 29.700 -0.034 0.000 0.762 415 E HN 0.527 nan 8.360 nan 0.000 0.454 416 K N -0.697 119.697 120.400 -0.010 0.000 2.397 416 K HA 0.360 4.680 4.320 0.000 0.000 0.253 416 K C -1.198 175.403 176.600 0.002 0.000 0.932 416 K CA -0.834 55.460 56.287 0.012 0.000 0.795 416 K CB 1.573 34.088 32.500 0.026 0.000 1.159 416 K HN 0.170 nan 8.250 nan 0.000 0.424 417 C N 1.794 121.097 119.300 0.004 0.000 2.703 417 C HA 0.052 4.512 4.460 0.000 0.000 0.411 417 C C 1.997 176.986 174.990 -0.002 0.000 1.290 417 C CA -0.319 58.699 59.018 -0.001 0.000 2.054 417 C CB 0.168 27.913 27.740 0.007 0.000 2.732 417 C HN 0.935 nan 8.230 nan 0.000 0.650 418 T N -1.169 113.379 114.554 -0.011 0.000 3.001 418 T HA 0.249 4.599 4.350 0.000 0.000 0.251 418 T C 0.266 174.946 174.700 -0.035 0.000 1.040 418 T CA 0.111 62.200 62.100 -0.017 0.000 0.985 418 T CB -0.058 68.801 68.868 -0.015 0.000 1.011 418 T HN 0.520 nan 8.240 nan 0.000 0.509 419 L N 1.506 122.703 121.223 -0.043 0.000 2.360 419 L HA 0.502 4.842 4.340 0.000 0.000 0.271 419 L C -2.474 174.347 176.870 -0.081 0.000 1.057 419 L CA -2.715 52.075 54.840 -0.084 0.000 0.803 419 L CB 0.697 42.699 42.059 -0.096 0.000 1.207 419 L HN -0.153 nan 8.230 nan 0.000 0.445 420 P HA 0.015 nan 4.420 nan 0.000 0.262 420 P C -0.541 176.827 177.300 0.112 0.000 1.182 420 P CA 0.249 63.295 63.100 -0.090 0.000 0.761 420 P CB 0.357 31.823 31.700 -0.390 0.000 0.795 421 L N 2.605 123.981 121.223 0.255 0.000 2.439 421 L HA 0.119 4.459 4.340 0.000 0.000 0.269 421 L C 1.532 178.696 176.870 0.490 0.000 1.179 421 L CA 0.247 55.259 54.840 0.286 0.000 0.828 421 L CB 0.258 42.402 42.059 0.142 0.000 1.106 421 L HN 0.431 nan 8.230 nan 0.000 0.467 422 T N -0.090 114.657 114.554 0.322 0.000 3.042 422 T HA 0.210 4.560 4.350 0.000 0.000 0.245 422 T C 0.502 175.234 174.700 0.053 0.000 1.029 422 T CA 0.443 62.638 62.100 0.159 0.000 1.120 422 T CB 0.595 69.582 68.868 0.197 0.000 0.917 422 T HN 0.784 nan 8.240 nan 0.000 0.467 423 G N 0.579 109.431 108.800 0.085 0.000 2.720 423 G HA2 0.563 4.523 3.960 0.000 0.000 0.295 423 G HA3 0.563 4.523 3.960 0.000 0.000 0.295 423 G C -1.868 173.073 174.900 0.068 0.000 1.437 423 G CA -0.703 44.436 45.100 0.065 0.000 0.886 423 G HN 0.045 nan 8.290 nan 0.000 0.509 424 K N 0.997 121.439 120.400 0.070 0.000 2.213 424 K HA 0.340 4.660 4.320 0.000 0.000 0.270 424 K C 0.104 176.760 176.600 0.094 0.000 1.002 424 K CA -0.320 56.009 56.287 0.070 0.000 0.868 424 K CB 0.550 33.080 32.500 0.049 0.000 1.093 424 K HN 0.646 nan 8.250 nan 0.000 0.454 425 Q N 1.791 121.646 119.800 0.091 0.000 2.437 425 Q HA -0.240 4.100 4.340 0.000 0.000 0.354 425 Q C 0.307 176.354 176.000 0.078 0.000 1.402 425 Q CA 0.564 56.424 55.803 0.096 0.000 1.020 425 Q CB -1.943 26.852 28.738 0.094 0.000 1.220 425 Q HN 0.841 nan 8.270 nan 0.000 0.368 426 C N -4.283 115.058 119.300 0.069 0.000 3.724 426 C HA 0.455 4.915 4.460 0.000 0.000 0.327 426 C C 0.793 175.813 174.990 0.050 0.000 1.490 426 C CA -0.429 58.624 59.018 0.059 0.000 1.825 426 C CB -0.113 27.664 27.740 0.061 0.000 2.613 426 C HN 0.306 nan 8.230 nan 0.000 0.692 427 V N 3.536 123.479 119.914 0.047 0.000 2.498 427 V HA 0.248 4.368 4.120 0.000 0.000 0.279 427 V C 0.433 176.548 176.094 0.035 0.000 1.048 427 V CA 0.564 62.885 62.300 0.035 0.000 0.967 427 V CB 0.924 32.759 31.823 0.020 0.000 0.988 427 V HN 0.474 nan 8.190 nan 0.000 0.473 428 N N 2.869 121.588 118.700 0.031 0.000 2.415 428 N HA 0.177 4.917 4.740 0.000 0.000 0.174 428 N C 0.573 176.104 175.510 0.035 0.000 1.048 428 N CA 0.021 53.091 53.050 0.034 0.000 0.895 428 N CB 0.484 38.989 38.487 0.029 0.000 1.036 428 N HN 0.650 nan 8.380 nan 0.000 0.449 429 R N 0.524 121.042 120.500 0.028 0.000 2.643 429 R HA 0.453 4.793 4.340 0.000 0.000 0.269 429 R C -2.111 174.210 176.300 0.036 0.000 1.037 429 R CA -0.492 55.631 56.100 0.040 0.000 0.894 429 R CB 1.192 31.509 30.300 0.027 0.000 1.238 429 R HN -0.092 nan 8.270 nan 0.000 0.459 430 I N 4.724 125.339 120.570 0.074 0.000 2.436 430 I HA 0.414 4.584 4.170 0.000 0.000 0.289 430 I C -0.476 175.709 176.117 0.112 0.000 1.010 430 I CA -0.805 60.538 61.300 0.072 0.000 1.098 430 I CB 2.099 40.126 38.000 0.046 0.000 1.266 430 I HN 0.443 nan 8.210 nan 0.000 0.434 431 I N 5.617 126.218 120.570 0.052 0.000 2.389 431 I HA 0.383 4.553 4.170 0.000 0.000 0.288 431 I C 0.363 176.499 176.117 0.032 0.000 0.999 431 I CA -0.154 61.167 61.300 0.034 0.000 1.129 431 I CB 1.972 39.969 38.000 -0.005 0.000 1.288 431 I HN 0.672 nan 8.210 nan 0.000 0.444 432 T N 1.313 115.900 114.554 0.055 0.000 2.762 432 T HA 0.294 4.644 4.350 0.000 0.000 0.272 432 T C 0.861 175.566 174.700 0.009 0.000 0.982 432 T CA -0.553 61.580 62.100 0.056 0.000 1.013 432 T CB 1.611 70.573 68.868 0.157 0.000 1.309 432 T HN 0.615 nan 8.240 nan 0.000 0.572 433 E N 0.422 120.608 120.200 -0.023 0.000 2.299 433 E HA -0.008 4.342 4.350 0.000 0.000 0.193 433 E C 1.296 177.778 176.600 -0.197 0.000 0.998 433 E CA 0.745 57.040 56.400 -0.176 0.000 0.851 433 E CB -0.089 29.483 29.700 -0.213 0.000 0.795 433 E HN 0.754 nan 8.360 nan 0.000 0.492 434 K N 0.212 120.590 120.400 -0.036 0.000 2.308 434 K HA 0.354 4.674 4.320 0.000 0.000 0.197 434 K C 0.765 177.359 176.600 -0.010 0.000 1.049 434 K CA 0.650 56.916 56.287 -0.036 0.000 0.991 434 K CB 0.963 33.363 32.500 -0.167 0.000 0.836 434 K HN 0.159 nan 8.250 nan 0.000 0.500 435 A N 0.416 123.230 122.820 -0.009 0.000 2.581 435 A HA 0.631 4.951 4.320 0.000 0.000 0.290 435 A C -1.629 175.849 177.584 -0.177 0.000 1.119 435 A CA -0.626 51.290 52.037 -0.200 0.000 0.670 435 A CB 1.620 20.272 19.000 -0.581 0.000 1.280 435 A HN -0.117 nan 8.150 nan 0.000 0.425 436 V N 0.476 120.198 119.914 -0.320 0.000 2.577 436 V HA 0.656 4.776 4.120 0.000 0.000 0.303 436 V C -1.535 174.415 176.094 -0.239 0.000 1.042 436 V CA -0.225 61.988 62.300 -0.145 0.000 0.872 436 V CB 1.228 33.009 31.823 -0.069 0.000 0.998 436 V HN 0.677 nan 8.190 nan 0.000 0.423 437 F N 1.562 121.479 119.950 -0.054 0.000 2.546 437 F HA 0.620 5.147 4.527 0.000 0.000 0.320 437 F C 0.181 175.965 175.800 -0.027 0.000 1.076 437 F CA -0.882 57.087 58.000 -0.052 0.000 0.928 437 F CB 1.533 40.481 39.000 -0.086 0.000 1.189 437 F HN 0.341 nan 8.300 nan 0.000 0.465 438 D N 1.031 121.550 120.400 0.198 0.000 2.193 438 D HA 0.589 5.229 4.640 0.000 0.000 0.249 438 D C -0.879 175.488 176.300 0.112 0.000 1.034 438 D CA -0.059 54.011 54.000 0.116 0.000 0.902 438 D CB 2.148 42.999 40.800 0.085 0.000 1.182 438 D HN 0.135 nan 8.370 nan 0.000 0.436 439 V N 1.610 121.567 119.914 0.072 0.000 2.588 439 V HA 0.337 4.457 4.120 0.000 0.000 0.304 439 V C -0.535 175.600 176.094 0.068 0.000 1.042 439 V CA -0.842 61.489 62.300 0.052 0.000 0.877 439 V CB 2.046 33.882 31.823 0.022 0.000 0.996 439 V HN 0.455 nan 8.190 nan 0.000 0.425 440 D N 2.022 122.476 120.400 0.090 0.000 2.498 440 D HA 0.432 5.072 4.640 0.000 0.000 0.247 440 D C 1.231 177.626 176.300 0.159 0.000 1.070 440 D CA -0.777 53.285 54.000 0.104 0.000 0.842 440 D CB 1.697 42.558 40.800 0.102 0.000 1.361 440 D HN 0.569 nan 8.370 nan 0.000 0.484 441 R N 2.205 122.780 120.500 0.125 0.000 2.293 441 R HA -0.036 4.304 4.340 0.000 0.000 0.219 441 R C 0.697 177.054 176.300 0.095 0.000 1.091 441 R CA 0.893 57.072 56.100 0.131 0.000 1.004 441 R CB 0.026 30.366 30.300 0.066 0.000 0.865 441 R HN 0.187 nan 8.270 nan 0.000 0.469 442 K N 1.071 121.536 120.400 0.107 0.000 2.362 442 K HA 0.052 4.372 4.320 0.000 0.000 0.203 442 K C 1.704 178.408 176.600 0.173 0.000 1.198 442 K CA 1.121 57.426 56.287 0.030 0.000 0.908 442 K CB 0.215 32.717 32.500 0.004 0.000 1.236 442 K HN 0.328 nan 8.250 nan 0.000 0.487 443 K N 0.386 120.901 120.400 0.192 0.000 2.365 443 K HA 0.150 4.470 4.320 0.000 0.000 0.197 443 K C 0.867 177.603 176.600 0.227 0.000 1.042 443 K CA 0.879 57.282 56.287 0.193 0.000 0.987 443 K CB 0.258 32.827 32.500 0.116 0.000 0.779 443 K HN 0.107 nan 8.250 nan 0.000 0.484 444 G N 1.312 110.258 108.800 0.243 0.000 2.508 444 G HA2 -0.206 3.754 3.960 0.000 0.000 0.220 444 G HA3 -0.206 3.754 3.960 0.000 0.000 0.220 444 G C -0.811 174.094 174.900 0.009 0.000 1.287 444 G CA -0.398 44.702 45.100 0.000 0.000 0.916 444 G HN 0.122 nan 8.290 nan 0.000 0.574 445 L N 0.467 121.670 121.223 -0.034 0.000 2.418 445 L HA 0.635 4.975 4.340 0.000 0.000 0.265 445 L C 0.420 177.425 176.870 0.226 0.000 1.143 445 L CA -0.204 54.665 54.840 0.050 0.000 0.809 445 L CB 1.400 43.396 42.059 -0.106 0.000 1.124 445 L HN 0.652 nan 8.230 nan 0.000 0.456 446 T N 2.978 117.718 114.554 0.312 0.000 3.031 446 T HA 0.269 4.619 4.350 0.000 0.000 0.305 446 T C -0.695 174.184 174.700 0.298 0.000 0.985 446 T CA -0.463 61.815 62.100 0.297 0.000 1.008 446 T CB 1.403 70.372 68.868 0.169 0.000 1.005 446 T HN 0.260 nan 8.240 nan 0.000 0.444 447 L N 6.027 127.401 121.223 0.251 0.000 2.385 447 L HA 0.442 4.782 4.340 0.000 0.000 0.281 447 L C 0.907 177.733 176.870 -0.074 0.000 1.106 447 L CA 0.217 54.953 54.840 -0.174 0.000 0.856 447 L CB -0.184 41.752 42.059 -0.206 0.000 1.186 447 L HN 0.778 nan 8.230 nan 0.000 0.453 448 I N 0.152 120.655 120.570 -0.112 0.000 4.035 448 I HA 0.422 4.592 4.170 0.000 0.000 0.321 448 I C 0.003 176.076 176.117 -0.073 0.000 1.289 448 I CA -0.098 61.172 61.300 -0.049 0.000 1.236 448 I CB 0.144 38.136 38.000 -0.013 0.000 1.076 448 I HN 0.491 nan 8.210 nan 0.000 0.418 449 E N 1.743 121.865 120.200 -0.131 0.000 2.356 449 E HA 0.625 4.975 4.350 0.000 0.000 0.275 449 E C -1.850 174.673 176.600 -0.129 0.000 0.904 449 E CA -0.828 55.514 56.400 -0.096 0.000 0.757 449 E CB 3.439 33.104 29.700 -0.058 0.000 1.232 449 E HN 0.075 nan 8.360 nan 0.000 0.442 450 L N 1.995 123.177 121.223 -0.068 0.000 2.436 450 L HA 0.407 4.747 4.340 0.000 0.000 0.268 450 L C -1.338 175.552 176.870 0.034 0.000 0.974 450 L CA -0.416 54.399 54.840 -0.043 0.000 0.826 450 L CB 1.518 43.543 42.059 -0.057 0.000 1.291 450 L HN 0.694 nan 8.230 nan 0.000 0.406 451 W N 6.013 127.253 121.300 -0.100 0.000 2.264 451 W HA 0.170 4.830 4.660 -0.000 0.000 0.331 451 W C 0.120 176.604 176.519 -0.059 0.000 1.364 451 W CA -0.120 57.181 57.345 -0.073 0.000 1.253 451 W CB 0.766 30.186 29.460 -0.068 0.000 1.215 451 W HN 0.823 nan 8.180 nan 0.000 0.561 452 E N 3.461 123.209 120.200 -0.754 0.000 2.415 452 E HA 0.287 4.637 4.350 0.000 0.000 0.262 452 E C 0.971 177.319 176.600 -0.420 0.000 1.038 452 E CA 0.494 56.568 56.400 -0.542 0.000 0.921 452 E CB 0.568 29.914 29.700 -0.590 0.000 0.950 452 E HN 0.725 nan 8.360 nan 0.000 0.438 453 G N 2.266 110.954 108.800 -0.187 0.000 2.225 453 G HA2 -0.261 3.699 3.960 0.000 0.000 0.254 453 G HA3 -0.261 3.699 3.960 0.000 0.000 0.254 453 G C 0.085 174.991 174.900 0.009 0.000 0.988 453 G CA 0.269 45.328 45.100 -0.068 0.000 0.625 453 G HN 0.428 nan 8.290 nan 0.000 0.527 454 L N 1.305 122.541 121.223 0.022 0.000 2.330 454 L HA 0.741 5.081 4.340 0.000 0.000 0.271 454 L C 0.921 177.803 176.870 0.019 0.000 1.013 454 L CA -0.315 54.559 54.840 0.056 0.000 0.816 454 L CB 1.975 44.103 42.059 0.116 0.000 1.287 454 L HN 0.368 nan 8.230 nan 0.000 0.435 455 T N -2.302 112.267 114.554 0.025 0.000 2.938 455 T HA 0.355 4.705 4.350 0.000 0.000 0.285 455 T C 0.871 175.601 174.700 0.049 0.000 1.028 455 T CA -0.744 61.372 62.100 0.026 0.000 1.005 455 T CB 1.866 70.749 68.868 0.025 0.000 1.157 455 T HN 0.178 nan 8.240 nan 0.000 0.550 456 V N 0.996 120.953 119.914 0.071 0.000 2.759 456 V HA -0.083 4.037 4.120 0.000 0.000 0.256 456 V C 2.167 178.364 176.094 0.171 0.000 1.080 456 V CA 1.681 64.072 62.300 0.152 0.000 1.101 456 V CB -0.753 31.160 31.823 0.150 0.000 0.698 456 V HN 0.847 nan 8.190 nan 0.000 0.477 457 D N -0.046 120.410 120.400 0.094 0.000 2.123 457 D HA -0.134 4.506 4.640 0.000 0.000 0.200 457 D C 1.887 178.239 176.300 0.087 0.000 0.976 457 D CA 1.139 55.187 54.000 0.080 0.000 0.831 457 D CB -0.168 40.659 40.800 0.045 0.000 0.974 457 D HN 0.404 nan 8.370 nan 0.000 0.469 458 D N 0.772 121.210 120.400 0.063 0.000 2.104 458 D HA -0.142 4.498 4.640 0.000 0.000 0.194 458 D C 2.197 178.514 176.300 0.029 0.000 0.994 458 D CA 0.543 54.566 54.000 0.037 0.000 0.830 458 D CB -0.078 40.732 40.800 0.018 0.000 0.959 458 D HN 0.186 nan 8.370 nan 0.000 0.452 459 I N 1.391 121.989 120.570 0.046 0.000 2.179 459 I HA -0.217 3.953 4.170 0.000 0.000 0.242 459 I C 2.256 178.510 176.117 0.229 0.000 1.088 459 I CA 1.034 62.348 61.300 0.025 0.000 1.357 459 I CB -0.986 37.023 38.000 0.017 0.000 1.051 459 I HN 0.026 nan 8.210 nan 0.000 0.409 460 K N 1.281 121.896 120.400 0.359 0.000 2.089 460 K HA -0.222 4.098 4.320 0.000 0.000 0.210 460 K C 1.762 178.486 176.600 0.208 0.000 1.048 460 K CA 1.962 58.445 56.287 0.327 0.000 0.926 460 K CB -0.231 32.362 32.500 0.154 0.000 0.714 460 K HN 0.511 nan 8.250 nan 0.000 0.448 461 K N -0.432 120.066 120.400 0.162 0.000 2.487 461 K HA 0.103 4.423 4.320 0.000 0.000 0.192 461 K C 0.853 177.608 176.600 0.259 0.000 1.027 461 K CA 0.651 57.041 56.287 0.172 0.000 1.054 461 K CB 0.606 33.174 32.500 0.114 0.000 0.824 461 K HN -0.156 nan 8.250 nan 0.000 0.510 462 S N 0.639 116.482 115.700 0.237 0.000 2.663 462 S HA 0.125 4.595 4.470 0.000 0.000 0.243 462 S C -0.594 174.303 174.600 0.493 0.000 1.009 462 S CA -0.410 57.985 58.200 0.324 0.000 0.988 462 S CB 0.948 64.195 63.200 0.079 0.000 0.896 462 S HN 0.214 nan 8.310 nan 0.000 0.502 463 T N 0.451 115.165 114.554 0.266 0.000 2.879 463 T HA 0.400 4.750 4.350 0.000 0.000 0.290 463 T C 1.053 175.497 174.700 -0.427 0.000 0.993 463 T CA -0.627 61.525 62.100 0.086 0.000 0.975 463 T CB 1.683 70.708 68.868 0.261 0.000 0.981 463 T HN 0.159 nan 8.240 nan 0.000 0.439 464 G N 0.999 109.413 108.800 -0.642 0.000 2.776 464 G HA2 0.224 4.184 3.960 0.000 0.000 0.209 464 G HA3 0.224 4.184 3.960 0.000 0.000 0.209 464 G C 0.685 175.425 174.900 -0.267 0.000 1.145 464 G CA 0.389 45.076 45.100 -0.689 0.000 0.791 464 G HN 0.985 nan 8.290 nan 0.000 0.530 465 C N -0.623 118.584 119.300 -0.156 0.000 3.291 465 C HA 0.652 5.112 4.460 0.000 0.000 0.316 465 C C -0.573 174.434 174.990 0.030 0.000 1.391 465 C CA -1.316 57.654 59.018 -0.081 0.000 1.394 465 C CB 1.646 29.314 27.740 -0.120 0.000 1.744 465 C HN 0.340 nan 8.230 nan 0.000 0.461 466 D N 0.841 121.231 120.400 -0.016 0.000 2.372 466 D HA 0.489 5.129 4.640 0.000 0.000 0.243 466 D C -0.446 175.895 176.300 0.068 0.000 1.121 466 D CA 0.292 54.262 54.000 -0.051 0.000 0.898 466 D CB 0.753 41.497 40.800 -0.093 0.000 1.202 466 D HN 0.789 nan 8.370 nan 0.000 0.428 467 F N -1.797 118.163 119.950 0.016 0.000 2.626 467 F HA 0.712 5.239 4.527 -0.000 0.000 0.311 467 F C -0.747 175.104 175.800 0.086 0.000 1.088 467 F CA -1.567 56.472 58.000 0.065 0.000 0.949 467 F CB 0.989 40.121 39.000 0.220 0.000 1.322 467 F HN 0.493 nan 8.300 nan 0.000 0.461 468 A N 1.142 124.129 122.820 0.277 0.000 2.286 468 A HA 0.755 5.075 4.320 0.000 0.000 0.286 468 A C -0.939 176.819 177.584 0.291 0.000 1.097 468 A CA -0.705 51.430 52.037 0.164 0.000 0.821 468 A CB 0.944 20.023 19.000 0.131 0.000 1.076 468 A HN 0.775 nan 8.150 nan 0.000 0.490 469 V N 1.358 121.372 119.914 0.166 0.000 2.417 469 V HA 0.394 4.514 4.120 0.000 0.000 0.291 469 V C 0.695 176.848 176.094 0.098 0.000 1.024 469 V CA -0.454 61.948 62.300 0.170 0.000 0.861 469 V CB 1.525 33.420 31.823 0.119 0.000 0.985 469 V HN 0.996 nan 8.190 nan 0.000 0.436 470 S N 7.018 122.767 115.700 0.081 0.000 2.533 470 S HA 0.180 4.650 4.470 0.000 0.000 0.282 470 S C -0.686 173.933 174.600 0.032 0.000 1.304 470 S CA -0.758 57.472 58.200 0.050 0.000 1.063 470 S CB 0.854 64.072 63.200 0.031 0.000 0.881 470 S HN 0.721 nan 8.310 nan 0.000 0.493 471 P HA -0.004 nan 4.420 nan 0.000 0.234 471 P C -0.067 177.238 177.300 0.009 0.000 1.167 471 P CA 0.883 63.993 63.100 0.017 0.000 0.763 471 P CB 0.049 31.759 31.700 0.016 0.000 0.835 472 K N -0.170 120.235 120.400 0.009 0.000 2.934 472 K HA 0.208 4.528 4.320 0.000 0.000 0.210 472 K C 0.026 176.623 176.600 -0.005 0.000 1.122 472 K CA -0.740 55.548 56.287 0.001 0.000 1.033 472 K CB 0.121 32.622 32.500 0.002 0.000 0.779 472 K HN -0.003 nan 8.250 nan 0.000 0.459 473 L N 2.586 123.806 121.223 -0.004 0.000 2.499 473 L HA 0.173 4.513 4.340 0.000 0.000 0.273 473 L C -0.218 176.636 176.870 -0.026 0.000 1.195 473 L CA 0.378 55.208 54.840 -0.016 0.000 0.882 473 L CB 0.185 42.238 42.059 -0.010 0.000 1.133 473 L HN 0.231 nan 8.230 nan 0.000 0.483 474 I N 2.949 123.498 120.570 -0.035 0.000 2.957 474 I HA 0.689 4.859 4.170 0.000 0.000 0.310 474 I C -2.428 173.656 176.117 -0.056 0.000 1.063 474 I CA -2.587 58.688 61.300 -0.042 0.000 1.033 474 I CB 1.827 39.806 38.000 -0.035 0.000 1.230 474 I HN 0.431 nan 8.210 nan 0.000 0.447 475 P HA 0.024 nan 4.420 nan 0.000 0.269 475 P C -0.476 176.783 177.300 -0.068 0.000 1.209 475 P CA -0.151 62.883 63.100 -0.110 0.000 0.776 475 P CB 0.690 32.292 31.700 -0.163 0.000 0.876 476 M N 2.999 122.588 119.600 -0.019 0.000 2.284 476 M HA -0.045 4.435 4.480 0.000 0.000 0.351 476 M C 0.542 176.881 176.300 0.064 0.000 1.443 476 M CA 0.474 55.817 55.300 0.071 0.000 1.031 476 M CB 0.057 32.807 32.600 0.250 0.000 1.893 476 M HN 0.313 nan 8.290 nan 0.000 0.456 477 Q N 3.748 123.569 119.800 0.036 0.000 2.382 477 Q HA 0.295 4.635 4.340 0.000 0.000 0.229 477 Q C -0.998 175.036 176.000 0.057 0.000 1.006 477 Q CA -0.579 55.239 55.803 0.025 0.000 0.916 477 Q CB 0.661 29.401 28.738 0.004 0.000 1.235 477 Q HN 0.557 nan 8.270 nan 0.000 0.512 478 Q N 0.733 120.553 119.800 0.034 0.000 2.263 478 Q HA 0.266 4.606 4.340 0.000 0.000 0.266 478 Q C -1.094 174.894 176.000 -0.021 0.000 1.002 478 Q CA -0.559 55.253 55.803 0.015 0.000 0.790 478 Q CB 2.459 31.234 28.738 0.060 0.000 1.272 478 Q HN 0.595 nan 8.270 nan 0.000 0.435 479 V N 2.679 122.561 119.914 -0.052 0.000 2.928 479 V HA 0.011 4.131 4.120 0.000 0.000 0.307 479 V C 0.729 176.811 176.094 -0.021 0.000 1.105 479 V CA 1.085 63.376 62.300 -0.016 0.000 1.223 479 V CB 1.134 32.968 31.823 0.019 0.000 0.930 479 V HN 0.944 nan 8.190 nan 0.000 0.499 480 T N 0.000 114.571 114.554 0.028 0.000 3.816 480 T HA 0.000 4.350 4.350 0.000 0.000 0.228 480 T CA 0.000 62.122 62.100 0.036 0.000 1.349 480 T CB 0.000 68.891 68.868 0.038 0.000 0.612 480 T HN 0.000 nan 8.240 nan 0.000 0.658