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 1ix6_1_A DATA FIRST_RESID 5 DATA SEQUENCE MFENITAAPA DPILGLADLF RADERPGKIN LGIGFYKDET GKTPVLTSVK DATA SEQUENCE KAEQYLLENE XTTKNYLGID GIPEFGRCTQ ELLFGKGSAL INDKRARTAQ DATA SEQUENCE TPGGTGALRV AADFLAKNTS VKXXRXXXVW VSNPSWPNHK SVFNSAGLXE DATA SEQUENCE VREYAYYDAE NHTLDFDALI NSLNEAQAGD VVLFHGCCHN PTGIDPTLEQ DATA SEQUENCE WQTLAQLSVE KGWLPLFDFA YQGFARGXLE EDAEGLRAFA AMHKELIVAS DATA SEQUENCE SYSKNFGLYN ERVGACTLVA ADSETVDRAF SQMKAAIRAN YSNPPAHGAS DATA SEQUENCE VVATILSNDA LRAIWEQELT DMRQRIQRMR QLFVNTLQEK GANRDFSFII DATA SEQUENCE KQNGMFSFSG LTKEQVLRLR EEFGVYAVAS GRVNVAGMTP DNMAPLCEAI DATA SEQUENCE VAXVL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.095 176.300 -0.341 0.000 1.140 5 M CA 0.000 54.977 55.300 -0.539 0.000 0.988 5 M CB 0.000 32.430 32.600 -0.284 0.000 1.302 6 F N -0.733 119.217 119.950 -0.000 0.000 2.639 6 F HA 0.360 4.901 4.527 0.023 0.000 0.302 6 F C 1.459 177.259 175.800 -0.001 0.000 1.097 6 F CA -0.440 57.560 58.000 -0.001 0.000 1.294 6 F CB -0.285 38.715 39.000 -0.000 0.000 1.027 6 F HN 0.522 nan 8.300 nan 0.000 0.550 7 E N 0.568 120.803 120.200 0.059 0.000 2.268 7 E HA -0.151 4.212 4.350 0.022 0.000 0.195 7 E C 1.029 177.657 176.600 0.047 0.000 0.995 7 E CA 0.759 57.185 56.400 0.044 0.000 0.836 7 E CB -0.202 29.495 29.700 -0.006 0.000 0.763 7 E HN 0.530 nan 8.360 nan 0.000 0.491 8 N N 0.145 118.874 118.700 0.049 0.000 2.200 8 N HA 0.136 4.889 4.740 0.022 0.000 0.224 8 N C -0.115 175.425 175.510 0.050 0.000 1.179 8 N CA -0.128 52.945 53.050 0.039 0.000 0.877 8 N CB 0.816 39.316 38.487 0.023 0.000 1.072 8 N HN 0.038 nan 8.380 nan 0.000 0.519 9 I N 1.336 121.952 120.570 0.078 0.000 2.618 9 I HA -0.070 4.114 4.170 0.022 0.000 0.284 9 I C 0.932 177.073 176.117 0.041 0.000 1.146 9 I CA 0.630 61.972 61.300 0.069 0.000 1.425 9 I CB 1.016 39.072 38.000 0.095 0.000 1.383 9 I HN -0.087 nan 8.210 nan 0.000 0.562 10 T N 5.976 120.546 114.554 0.026 0.000 2.845 10 T HA 0.511 4.874 4.350 0.022 0.000 0.288 10 T C 0.151 174.856 174.700 0.007 0.000 0.980 10 T CA -0.707 61.402 62.100 0.015 0.000 1.071 10 T CB 0.703 69.577 68.868 0.010 0.000 0.941 10 T HN 0.674 nan 8.240 nan 0.000 0.487 11 A N 3.534 126.356 122.820 0.004 0.000 2.498 11 A HA 0.595 4.929 4.320 0.022 0.000 0.239 11 A C 0.838 178.417 177.584 -0.008 0.000 1.068 11 A CA -0.096 51.939 52.037 -0.003 0.000 0.766 11 A CB -0.358 18.642 19.000 -0.001 0.000 1.003 11 A HN 1.230 nan 8.150 nan 0.000 0.497 12 A N 3.310 126.122 122.820 -0.014 0.000 2.407 12 A HA 0.570 4.903 4.320 0.022 0.000 0.248 12 A C -1.908 175.666 177.584 -0.017 0.000 1.082 12 A CA -1.050 50.975 52.037 -0.019 0.000 0.785 12 A CB -0.803 18.181 19.000 -0.026 0.000 1.020 12 A HN 0.735 nan 8.150 nan 0.000 0.489 13 P HA 0.345 nan 4.420 nan 0.000 0.268 13 P C -0.323 176.967 177.300 -0.017 0.000 1.205 13 P CA 0.125 63.215 63.100 -0.017 0.000 0.771 13 P CB 0.617 32.304 31.700 -0.021 0.000 0.858 14 A N 2.197 125.011 122.820 -0.010 0.000 2.491 14 A HA 0.107 4.440 4.320 0.022 0.000 0.261 14 A C 0.188 177.766 177.584 -0.010 0.000 1.101 14 A CA -0.108 51.925 52.037 -0.006 0.000 0.772 14 A CB -0.518 18.484 19.000 0.003 0.000 1.043 14 A HN 0.523 nan 8.150 nan 0.000 0.501 15 D N 4.510 124.901 120.400 -0.015 0.000 2.358 15 D HA 0.207 4.860 4.640 0.022 0.000 0.258 15 D C -0.830 175.465 176.300 -0.009 0.000 1.223 15 D CA -1.359 52.627 54.000 -0.023 0.000 0.886 15 D CB 0.913 41.692 40.800 -0.035 0.000 1.120 15 D HN 0.288 nan 8.370 nan 0.000 0.482 16 P HA -0.308 nan 4.420 nan 0.000 0.222 16 P C 1.613 178.924 177.300 0.018 0.000 1.159 16 P CA 1.002 64.106 63.100 0.007 0.000 0.920 16 P CB 0.132 31.832 31.700 -0.001 0.000 0.793 17 I N -0.266 120.309 120.570 0.007 0.000 2.163 17 I HA -0.236 3.947 4.170 0.022 0.000 0.243 17 I C 2.400 178.533 176.117 0.027 0.000 1.085 17 I CA 1.422 62.731 61.300 0.014 0.000 1.347 17 I CB -1.138 36.863 38.000 0.002 0.000 1.044 17 I HN -0.194 nan 8.210 nan 0.000 0.408 18 L N 0.317 121.554 121.223 0.023 0.000 2.079 18 L HA -0.089 4.265 4.340 0.022 0.000 0.210 18 L C 2.666 179.562 176.870 0.043 0.000 1.081 18 L CA 1.412 56.271 54.840 0.031 0.000 0.752 18 L CB -2.086 39.986 42.059 0.021 0.000 0.896 18 L HN 0.409 nan 8.230 nan 0.000 0.433 19 G N 0.873 109.699 108.800 0.044 0.000 2.459 19 G HA2 -0.201 3.773 3.960 0.022 0.000 0.217 19 G HA3 -0.201 3.773 3.960 0.022 0.000 0.217 19 G C 1.634 176.591 174.900 0.094 0.000 1.183 19 G CA 0.731 45.867 45.100 0.060 0.000 0.776 19 G HN 0.226 nan 8.290 nan 0.000 0.552 20 L N 0.778 122.067 121.223 0.110 0.000 2.043 20 L HA -0.185 4.168 4.340 0.022 0.000 0.212 20 L C 3.460 180.415 176.870 0.142 0.000 1.075 20 L CA 1.250 56.199 54.840 0.182 0.000 0.752 20 L CB -0.729 41.434 42.059 0.173 0.000 0.891 20 L HN 0.349 nan 8.230 nan 0.000 0.432 21 A N 0.511 123.382 122.820 0.085 0.000 1.892 21 A HA -0.288 4.046 4.320 0.022 0.000 0.218 21 A C 1.829 179.478 177.584 0.107 0.000 1.188 21 A CA 2.495 54.581 52.037 0.082 0.000 0.631 21 A CB -0.753 18.288 19.000 0.068 0.000 0.822 21 A HN 0.450 nan 8.150 nan 0.000 0.447 22 D N -0.770 119.681 120.400 0.086 0.000 2.224 22 D HA 0.009 4.662 4.640 0.022 0.000 0.205 22 D C 1.776 178.118 176.300 0.070 0.000 0.965 22 D CA 0.516 54.556 54.000 0.067 0.000 0.852 22 D CB -0.047 40.785 40.800 0.053 0.000 0.947 22 D HN 0.391 nan 8.370 nan 0.000 0.494 23 L N -0.441 120.851 121.223 0.115 0.000 2.179 23 L HA -0.025 4.328 4.340 0.022 0.000 0.208 23 L C 1.816 178.737 176.870 0.085 0.000 1.096 23 L CA 0.502 55.438 54.840 0.159 0.000 0.779 23 L CB -0.041 42.195 42.059 0.295 0.000 0.922 23 L HN 0.087 nan 8.230 nan 0.000 0.443 24 F N 1.391 121.186 119.950 -0.259 0.000 2.128 24 F HA -0.210 4.329 4.527 0.021 0.000 0.295 24 F C 2.597 178.227 175.800 -0.284 0.000 1.100 24 F CA 1.517 59.127 58.000 -0.650 0.000 1.260 24 F CB -0.135 38.402 39.000 -0.771 0.000 1.009 24 F HN -0.014 nan 8.300 nan 0.000 0.476 25 R N 1.291 121.711 120.500 -0.135 0.000 2.096 25 R HA -0.007 4.346 4.340 0.022 0.000 0.235 25 R C 1.782 177.971 176.300 -0.185 0.000 1.127 25 R CA 1.567 57.573 56.100 -0.157 0.000 0.968 25 R CB -1.630 28.671 30.300 0.002 0.000 0.861 25 R HN 0.200 nan 8.270 nan 0.000 0.440 26 A N 0.757 123.506 122.820 -0.120 0.000 2.278 26 A HA 0.055 4.388 4.320 0.022 0.000 0.212 26 A C -0.011 177.518 177.584 -0.092 0.000 1.213 26 A CA 0.124 52.114 52.037 -0.079 0.000 0.840 26 A CB -0.311 18.677 19.000 -0.021 0.000 0.866 26 A HN 0.321 nan 8.150 nan 0.000 0.489 27 D N 1.118 121.408 120.400 -0.184 0.000 2.374 27 D HA 0.073 4.727 4.640 0.022 0.000 0.240 27 D C 1.418 177.627 176.300 -0.151 0.000 1.229 27 D CA -0.149 53.769 54.000 -0.136 0.000 0.895 27 D CB 0.666 41.362 40.800 -0.175 0.000 1.046 27 D HN 0.436 nan 8.370 nan 0.000 0.498 28 E N 4.118 124.272 120.200 -0.077 0.000 2.204 28 E HA -0.199 4.164 4.350 0.022 0.000 0.195 28 E C 0.048 176.615 176.600 -0.055 0.000 0.990 28 E CA 0.527 56.888 56.400 -0.065 0.000 0.821 28 E CB -0.226 29.451 29.700 -0.038 0.000 0.750 28 E HN 0.448 nan 8.360 nan 0.000 0.477 29 R N 2.030 122.508 120.500 -0.036 0.000 2.446 29 R HA 0.049 4.402 4.340 0.022 0.000 0.314 29 R C -1.637 174.648 176.300 -0.024 0.000 1.003 29 R CA -0.897 55.196 56.100 -0.011 0.000 1.018 29 R CB 0.161 30.477 30.300 0.027 0.000 0.945 29 R HN 0.066 nan 8.270 nan 0.000 0.419 30 P HA -0.091 nan 4.420 nan 0.000 0.225 30 P C 0.924 178.236 177.300 0.019 0.000 1.148 30 P CA 0.927 64.022 63.100 -0.010 0.000 0.779 30 P CB 0.370 32.068 31.700 -0.002 0.000 0.780 31 G N -0.291 108.536 108.800 0.046 0.000 3.233 31 G HA2 -0.011 3.962 3.960 0.022 0.000 0.227 31 G HA3 -0.011 3.962 3.960 0.022 0.000 0.227 31 G C 0.119 175.094 174.900 0.124 0.000 1.175 31 G CA -0.334 44.814 45.100 0.079 0.000 0.781 31 G HN 0.317 nan 8.290 nan 0.000 0.542 32 K N 0.288 120.762 120.400 0.124 0.000 2.527 32 K HA 0.283 4.616 4.320 0.022 0.000 0.278 32 K C -0.700 176.111 176.600 0.352 0.000 0.981 32 K CA 0.340 56.771 56.287 0.239 0.000 1.009 32 K CB 0.886 33.425 32.500 0.065 0.000 0.895 32 K HN 0.046 nan 8.250 nan 0.000 0.493 33 I N 1.890 122.718 120.570 0.430 0.000 2.499 33 I HA 0.132 4.316 4.170 0.022 0.000 0.288 33 I C -0.916 175.296 176.117 0.158 0.000 1.048 33 I CA -1.031 60.426 61.300 0.261 0.000 1.062 33 I CB 1.956 40.048 38.000 0.154 0.000 1.238 33 I HN 0.671 nan 8.210 nan 0.000 0.426 34 N N 7.025 125.599 118.700 -0.210 0.000 2.469 34 N HA 0.424 5.177 4.740 0.022 0.000 0.253 34 N C -0.268 175.081 175.510 -0.269 0.000 0.970 34 N CA -0.307 52.440 53.050 -0.504 0.000 0.940 34 N CB 1.258 38.968 38.487 -1.295 0.000 1.128 34 N HN 0.609 nan 8.380 nan 0.000 0.503 35 L N 1.654 122.794 121.223 -0.138 0.000 2.857 35 L HA 0.419 4.773 4.340 0.022 0.000 0.249 35 L C 1.252 178.068 176.870 -0.090 0.000 1.172 35 L CA -0.218 54.550 54.840 -0.120 0.000 0.980 35 L CB 0.786 42.798 42.059 -0.077 0.000 1.299 35 L HN 0.529 nan 8.230 nan 0.000 0.535 36 G N 0.258 108.990 108.800 -0.113 0.000 4.644 36 G HA2 0.331 4.304 3.960 0.022 0.000 0.307 36 G HA3 0.331 4.304 3.960 0.022 0.000 0.307 36 G C 0.929 175.736 174.900 -0.156 0.000 1.331 36 G CA -0.218 44.840 45.100 -0.070 0.000 1.059 36 G HN 0.307 nan 8.290 nan 0.000 0.590 37 I N -2.658 117.738 120.570 -0.289 0.000 2.385 37 I HA 0.398 4.581 4.170 0.022 0.000 0.244 37 I C 1.927 177.723 176.117 -0.535 0.000 1.089 37 I CA 0.646 61.575 61.300 -0.618 0.000 1.410 37 I CB 0.003 37.257 38.000 -1.244 0.000 1.117 37 I HN 0.239 nan 8.210 nan 0.000 0.429 38 G N 1.344 110.025 108.800 -0.197 0.000 2.176 38 G HA2 -0.246 3.727 3.960 0.022 0.000 0.253 38 G HA3 -0.246 3.727 3.960 0.022 0.000 0.253 38 G C 0.058 175.044 174.900 0.143 0.000 0.979 38 G CA 0.328 45.541 45.100 0.188 0.000 0.641 38 G HN 0.637 nan 8.290 nan 0.000 0.530 39 F N -1.635 118.361 119.950 0.076 0.000 2.640 39 F HA 0.830 5.372 4.527 0.026 0.000 0.324 39 F C -0.226 175.606 175.800 0.054 0.000 1.077 39 F CA -3.636 54.359 58.000 -0.009 0.000 0.965 39 F CB 0.561 39.350 39.000 -0.351 0.000 1.351 39 F HN 0.124 nan 8.300 nan 0.000 0.487 40 Y N 1.488 122.033 120.300 0.408 0.000 2.301 40 Y HA 0.616 5.179 4.550 0.021 0.000 0.325 40 Y C -0.718 175.380 175.900 0.330 0.000 1.203 40 Y CA -0.423 57.849 58.100 0.287 0.000 1.255 40 Y CB 1.010 39.661 38.460 0.319 0.000 1.232 40 Y HN 0.667 nan 8.280 nan 0.000 0.501 41 K N 4.335 124.373 120.400 -0.603 0.000 2.498 41 K HA 0.209 4.542 4.320 0.022 0.000 0.254 41 K C -1.333 174.857 176.600 -0.684 0.000 0.933 41 K CA -1.046 55.028 56.287 -0.355 0.000 0.806 41 K CB 1.574 34.017 32.500 -0.096 0.000 1.301 41 K HN 0.777 nan 8.250 nan 0.000 0.432 42 D N 1.025 121.283 120.400 -0.236 0.000 2.447 42 D HA 0.011 4.664 4.640 0.022 0.000 0.265 42 D C 0.706 176.959 176.300 -0.077 0.000 1.250 42 D CA -0.137 53.809 54.000 -0.090 0.000 1.046 42 D CB 0.546 41.410 40.800 0.106 0.000 1.095 42 D HN 0.405 nan 8.370 nan 0.000 0.555 43 E N -0.869 119.322 120.200 -0.014 0.000 2.267 43 E HA -0.125 4.238 4.350 0.022 0.000 0.197 43 E C 1.597 178.194 176.600 -0.005 0.000 0.998 43 E CA 1.305 57.699 56.400 -0.010 0.000 0.830 43 E CB -0.421 29.286 29.700 0.012 0.000 0.751 43 E HN 0.535 nan 8.360 nan 0.000 0.491 44 T N -0.623 113.933 114.554 0.003 0.000 3.043 44 T HA 0.118 4.482 4.350 0.022 0.000 0.263 44 T C 1.279 175.984 174.700 0.007 0.000 1.094 44 T CA 0.850 62.956 62.100 0.010 0.000 1.127 44 T CB 0.209 69.089 68.868 0.020 0.000 0.905 44 T HN 0.420 nan 8.240 nan 0.000 0.490 45 G N 1.307 110.102 108.800 -0.008 0.000 2.142 45 G HA2 -0.196 3.777 3.960 0.022 0.000 0.225 45 G HA3 -0.196 3.777 3.960 0.022 0.000 0.225 45 G C -0.147 174.759 174.900 0.009 0.000 1.015 45 G CA 0.006 45.106 45.100 0.000 0.000 0.716 45 G HN 0.482 nan 8.290 nan 0.000 0.508 46 K N -0.313 120.088 120.400 0.001 0.000 2.395 46 K HA 0.773 5.106 4.320 0.022 0.000 0.247 46 K C -0.152 176.456 176.600 0.014 0.000 0.973 46 K CA -0.404 55.881 56.287 -0.003 0.000 0.828 46 K CB 1.489 33.995 32.500 0.011 0.000 1.272 46 K HN -0.005 nan 8.250 nan 0.000 0.439 47 T N 3.618 118.161 114.554 -0.019 0.000 3.332 47 T HA 0.358 4.721 4.350 0.022 0.000 0.385 47 T C -2.365 172.385 174.700 0.082 0.000 1.695 47 T CA -1.300 60.830 62.100 0.050 0.000 1.397 47 T CB 0.358 69.148 68.868 -0.129 0.000 1.100 47 T HN 0.388 nan 8.240 nan 0.000 0.669 48 P HA 0.306 nan 4.420 nan 0.000 0.274 48 P C -0.218 177.160 177.300 0.130 0.000 1.246 48 P CA -0.766 62.396 63.100 0.104 0.000 0.795 48 P CB 0.565 32.323 31.700 0.097 0.000 1.006 49 V N 3.233 123.210 119.914 0.105 0.000 2.488 49 V HA 0.159 4.292 4.120 0.022 0.000 0.277 49 V C 0.010 176.168 176.094 0.106 0.000 1.046 49 V CA -0.553 61.815 62.300 0.114 0.000 0.986 49 V CB -0.625 31.257 31.823 0.097 0.000 0.989 49 V HN 0.319 nan 8.190 nan 0.000 0.475 50 L N 5.896 127.190 121.223 0.118 0.000 2.529 50 L HA 0.023 4.376 4.340 0.022 0.000 0.287 50 L C 1.899 178.822 176.870 0.087 0.000 1.241 50 L CA 0.444 55.347 54.840 0.104 0.000 0.857 50 L CB 0.052 42.188 42.059 0.128 0.000 1.113 50 L HN 0.795 nan 8.230 nan 0.000 0.504 51 T N -0.167 114.429 114.554 0.070 0.000 2.777 51 T HA -0.149 4.215 4.350 0.022 0.000 0.266 51 T C 1.922 176.659 174.700 0.062 0.000 1.040 51 T CA 1.668 63.802 62.100 0.057 0.000 1.141 51 T CB -0.072 68.820 68.868 0.040 0.000 0.868 51 T HN 0.876 nan 8.240 nan 0.000 0.444 52 S N 1.879 117.626 115.700 0.079 0.000 2.399 52 S HA -0.101 4.382 4.470 0.022 0.000 0.231 52 S C 2.319 176.962 174.600 0.071 0.000 1.022 52 S CA 1.155 59.405 58.200 0.083 0.000 0.983 52 S CB -0.991 62.292 63.200 0.139 0.000 0.803 52 S HN 0.480 nan 8.310 nan 0.000 0.480 53 V N 0.164 120.131 119.914 0.089 0.000 2.548 53 V HA 0.045 4.178 4.120 0.022 0.000 0.249 53 V C 2.298 178.426 176.094 0.058 0.000 1.055 53 V CA 1.447 63.788 62.300 0.069 0.000 1.065 53 V CB -0.717 31.162 31.823 0.093 0.000 0.681 53 V HN 0.214 nan 8.190 nan 0.000 0.462 54 K N 0.850 121.290 120.400 0.067 0.000 2.097 54 K HA -0.108 4.226 4.320 0.022 0.000 0.206 54 K C 2.199 178.836 176.600 0.061 0.000 1.049 54 K CA 1.846 58.172 56.287 0.066 0.000 0.933 54 K CB -0.282 32.254 32.500 0.060 0.000 0.717 54 K HN 0.593 nan 8.250 nan 0.000 0.442 55 K N 0.110 120.541 120.400 0.051 0.000 2.057 55 K HA -0.042 4.292 4.320 0.022 0.000 0.206 55 K C 2.195 178.830 176.600 0.059 0.000 1.050 55 K CA 1.092 57.408 56.287 0.048 0.000 0.935 55 K CB -0.141 32.376 32.500 0.028 0.000 0.715 55 K HN 0.053 nan 8.250 nan 0.000 0.439 56 A N 1.936 124.775 122.820 0.032 0.000 1.908 56 A HA -0.232 4.102 4.320 0.022 0.000 0.218 56 A C 1.902 179.540 177.584 0.089 0.000 1.181 56 A CA 1.633 53.685 52.037 0.024 0.000 0.627 56 A CB -0.413 18.565 19.000 -0.036 0.000 0.818 56 A HN 0.319 nan 8.150 nan 0.000 0.445 57 E N -1.116 119.125 120.200 0.068 0.000 2.150 57 E HA -0.228 4.136 4.350 0.022 0.000 0.193 57 E C 2.207 178.873 176.600 0.110 0.000 0.985 57 E CA 1.242 57.701 56.400 0.099 0.000 0.814 57 E CB -0.109 29.673 29.700 0.137 0.000 0.752 57 E HN 0.720 nan 8.360 nan 0.000 0.466 58 Q N 0.377 120.240 119.800 0.104 0.000 2.079 58 Q HA -0.216 4.138 4.340 0.022 0.000 0.200 58 Q C 1.828 177.886 176.000 0.097 0.000 0.974 58 Q CA 1.411 57.266 55.803 0.086 0.000 0.840 58 Q CB -0.459 28.325 28.738 0.078 0.000 0.898 58 Q HN 0.398 nan 8.270 nan 0.000 0.430 59 Y N 0.277 120.578 120.300 0.001 0.000 2.145 59 Y HA -0.185 4.373 4.550 0.014 0.000 0.286 59 Y C 1.671 177.566 175.900 -0.009 0.000 1.145 59 Y CA 1.939 60.035 58.100 -0.007 0.000 1.148 59 Y CB -0.227 38.224 38.460 -0.015 0.000 0.981 59 Y HN 0.161 nan 8.280 nan 0.000 0.507 60 L N -0.666 120.577 121.223 0.034 0.000 2.083 60 L HA -0.208 4.146 4.340 0.022 0.000 0.209 60 L C 2.409 179.232 176.870 -0.078 0.000 1.083 60 L CA 1.111 55.916 54.840 -0.057 0.000 0.752 60 L CB -0.741 41.335 42.059 0.029 0.000 0.899 60 L HN 0.333 nan 8.230 nan 0.000 0.433 61 L N 0.096 121.304 121.223 -0.025 0.000 2.046 61 L HA -0.196 4.157 4.340 0.022 0.000 0.208 61 L C 2.351 179.181 176.870 -0.068 0.000 1.077 61 L CA 1.799 56.624 54.840 -0.025 0.000 0.747 61 L CB -0.370 41.692 42.059 0.004 0.000 0.896 61 L HN 0.196 nan 8.230 nan 0.000 0.432 62 E N -0.804 119.334 120.200 -0.103 0.000 2.158 62 E HA -0.117 4.247 4.350 0.022 0.000 0.191 62 E C 1.202 177.698 176.600 -0.175 0.000 0.982 62 E CA 1.310 57.638 56.400 -0.120 0.000 0.823 62 E CB -0.041 29.594 29.700 -0.109 0.000 0.766 62 E HN 0.640 nan 8.360 nan 0.000 0.468 63 N N -0.102 118.430 118.700 -0.281 0.000 2.205 63 N HA 0.067 4.820 4.740 0.022 0.000 0.201 63 N C -0.021 175.379 175.510 -0.185 0.000 1.128 63 N CA -0.071 52.808 53.050 -0.284 0.000 0.867 63 N CB 0.734 38.916 38.487 -0.509 0.000 0.996 63 N HN 0.025 nan 8.380 nan 0.000 0.503 67 T N 0.502 115.031 114.554 -0.042 0.000 2.885 67 T HA 0.562 4.925 4.350 0.022 0.000 0.322 67 T C -1.486 173.183 174.700 -0.051 0.000 1.387 67 T CA -0.592 61.481 62.100 -0.045 0.000 1.041 67 T CB 1.782 70.628 68.868 -0.038 0.000 1.287 67 T HN -0.046 nan 8.240 nan 0.000 0.491 68 K N 2.652 123.010 120.400 -0.069 0.000 2.618 68 K HA 0.237 4.570 4.320 0.022 0.000 0.207 68 K C 0.374 176.896 176.600 -0.131 0.000 1.058 68 K CA -0.313 55.924 56.287 -0.084 0.000 1.086 68 K CB 0.017 32.463 32.500 -0.089 0.000 0.827 68 K HN 0.552 nan 8.250 nan 0.000 0.481 69 N N 0.761 119.397 118.700 -0.108 0.000 2.518 69 N HA 0.016 4.769 4.740 0.022 0.000 0.266 69 N C -0.476 174.996 175.510 -0.064 0.000 1.196 69 N CA -0.195 52.774 53.050 -0.135 0.000 0.947 69 N CB 0.492 38.946 38.487 -0.056 0.000 1.098 69 N HN -0.090 nan 8.380 nan 0.000 0.450 70 Y N 1.534 121.831 120.300 -0.005 0.000 3.142 70 Y HA -0.165 4.400 4.550 0.025 0.000 0.347 70 Y C 0.914 176.812 175.900 -0.003 0.000 1.269 70 Y CA 0.584 58.682 58.100 -0.002 0.000 1.560 70 Y CB 0.194 38.654 38.460 -0.000 0.000 1.220 70 Y HN 0.278 nan 8.280 nan 0.000 0.626 71 L N 2.037 123.373 121.223 0.189 0.000 2.431 71 L HA 0.516 4.869 4.340 0.022 0.000 0.260 71 L C 1.194 178.115 176.870 0.085 0.000 1.098 71 L CA -0.699 54.199 54.840 0.097 0.000 0.800 71 L CB 0.567 42.660 42.059 0.056 0.000 1.210 71 L HN 0.819 nan 8.230 nan 0.000 0.465 72 G N -0.204 108.629 108.800 0.056 0.000 2.634 72 G HA2 0.206 4.180 3.960 0.022 0.000 0.255 72 G HA3 0.206 4.180 3.960 0.022 0.000 0.255 72 G C 0.986 175.900 174.900 0.024 0.000 1.205 72 G CA -0.580 44.541 45.100 0.034 0.000 0.884 72 G HN 0.450 nan 8.290 nan 0.000 0.549 73 I N 1.011 121.572 120.570 -0.015 0.000 2.248 73 I HA -0.147 4.036 4.170 0.022 0.000 0.248 73 I C 2.229 178.349 176.117 0.005 0.000 1.107 73 I CA 1.425 62.699 61.300 -0.043 0.000 1.373 73 I CB -0.795 37.134 38.000 -0.119 0.000 1.055 73 I HN 0.640 nan 8.210 nan 0.000 0.418 74 D N 0.033 120.462 120.400 0.048 0.000 2.340 74 D HA 0.214 4.867 4.640 0.022 0.000 0.220 74 D C 1.188 177.581 176.300 0.156 0.000 1.039 74 D CA 0.791 54.880 54.000 0.148 0.000 0.866 74 D CB -0.001 40.983 40.800 0.307 0.000 0.913 74 D HN 0.363 nan 8.370 nan 0.000 0.523 75 G N 1.232 110.088 108.800 0.093 0.000 2.660 75 G HA2 -0.222 3.752 3.960 0.022 0.000 0.215 75 G HA3 -0.222 3.752 3.960 0.022 0.000 0.215 75 G C -0.295 174.637 174.900 0.053 0.000 1.345 75 G CA -0.405 44.722 45.100 0.045 0.000 0.877 75 G HN 0.655 nan 8.290 nan 0.000 0.549 76 I N 0.441 121.017 120.570 0.010 0.000 2.533 76 I HA 0.522 4.706 4.170 0.022 0.000 0.284 76 I C -0.714 175.475 176.117 0.119 0.000 1.109 76 I CA -1.170 60.155 61.300 0.043 0.000 1.412 76 I CB 1.508 39.505 38.000 -0.004 0.000 1.396 76 I HN 0.290 nan 8.210 nan 0.000 0.543 77 P HA -0.186 nan 4.420 nan 0.000 0.215 77 P C 1.193 178.535 177.300 0.071 0.000 1.157 77 P CA 1.388 64.537 63.100 0.082 0.000 0.874 77 P CB 0.082 31.815 31.700 0.055 0.000 0.790 78 E N -1.499 118.735 120.200 0.057 0.000 2.085 78 E HA -0.200 4.163 4.350 0.022 0.000 0.194 78 E C 1.900 178.510 176.600 0.016 0.000 0.994 78 E CA 1.019 57.433 56.400 0.024 0.000 0.801 78 E CB -0.777 28.930 29.700 0.012 0.000 0.743 78 E HN 0.243 nan 8.360 nan 0.000 0.453 79 F N 1.182 121.077 119.950 -0.092 0.000 2.091 79 F HA -0.189 4.351 4.527 0.022 0.000 0.299 79 F C 2.211 177.965 175.800 -0.077 0.000 1.103 79 F CA 2.136 60.056 58.000 -0.133 0.000 1.228 79 F CB -0.639 38.273 39.000 -0.147 0.000 0.984 79 F HN -0.000 nan 8.300 nan 0.000 0.477 80 G N 0.314 109.158 108.800 0.075 0.000 2.421 80 G HA2 -0.317 3.656 3.960 0.022 0.000 0.216 80 G HA3 -0.317 3.656 3.960 0.022 0.000 0.216 80 G C 1.813 176.663 174.900 -0.084 0.000 1.171 80 G CA 0.839 45.939 45.100 0.000 0.000 0.775 80 G HN 0.433 nan 8.290 nan 0.000 0.543 81 R N -0.260 120.208 120.500 -0.054 0.000 2.073 81 R HA -0.089 4.264 4.340 0.022 0.000 0.234 81 R C 2.505 178.753 176.300 -0.087 0.000 1.134 81 R CA 1.774 57.844 56.100 -0.050 0.000 0.952 81 R CB -0.890 29.394 30.300 -0.026 0.000 0.850 81 R HN 0.336 nan 8.270 nan 0.000 0.433 82 C N 0.566 119.780 119.300 -0.142 0.000 2.413 82 C HA -0.102 4.371 4.460 0.022 0.000 0.276 82 C C 3.107 177.985 174.990 -0.187 0.000 1.248 82 C CA 1.607 60.524 59.018 -0.168 0.000 1.742 82 C CB -1.031 26.570 27.740 -0.231 0.000 2.017 82 C HN 0.774 nan 8.230 nan 0.000 0.481 83 T N -0.908 113.478 114.554 -0.280 0.000 2.857 83 T HA -0.193 4.170 4.350 0.022 0.000 0.266 83 T C 1.709 176.307 174.700 -0.170 0.000 1.048 83 T CA 1.547 63.517 62.100 -0.216 0.000 1.139 83 T CB -0.417 68.291 68.868 -0.267 0.000 0.874 83 T HN 0.670 nan 8.240 nan 0.000 0.455 84 Q N 0.489 120.223 119.800 -0.110 0.000 2.135 84 Q HA -0.120 4.233 4.340 0.022 0.000 0.204 84 Q C 2.474 178.474 176.000 -0.001 0.000 0.981 84 Q CA 1.824 57.618 55.803 -0.014 0.000 0.856 84 Q CB -0.124 28.668 28.738 0.091 0.000 0.902 84 Q HN 0.742 nan 8.270 nan 0.000 0.425 85 E N 0.503 120.693 120.200 -0.018 0.000 2.072 85 E HA -0.137 4.226 4.350 0.022 0.000 0.191 85 E C 2.085 178.668 176.600 -0.028 0.000 0.985 85 E CA 0.598 56.999 56.400 0.002 0.000 0.801 85 E CB -0.040 29.657 29.700 -0.006 0.000 0.750 85 E HN 0.322 nan 8.360 nan 0.000 0.452 86 L N 0.503 121.687 121.223 -0.065 0.000 2.093 86 L HA -0.195 4.158 4.340 0.022 0.000 0.208 86 L C 2.172 178.964 176.870 -0.129 0.000 1.085 86 L CA 0.560 55.362 54.840 -0.063 0.000 0.755 86 L CB -0.044 41.992 42.059 -0.039 0.000 0.904 86 L HN 0.162 nan 8.230 nan 0.000 0.435 87 L N -1.549 119.515 121.223 -0.265 0.000 2.049 87 L HA -0.108 4.245 4.340 0.022 0.000 0.203 87 L C 1.824 178.414 176.870 -0.466 0.000 1.074 87 L CA 1.868 56.433 54.840 -0.458 0.000 0.749 87 L CB -0.693 40.827 42.059 -0.899 0.000 0.907 87 L HN 0.080 nan 8.230 nan 0.000 0.439 88 F N -0.728 119.211 119.950 -0.018 0.000 2.721 88 F HA 0.563 5.104 4.527 0.023 0.000 0.301 88 F C 1.188 176.975 175.800 -0.022 0.000 1.096 88 F CA -0.062 57.919 58.000 -0.031 0.000 1.308 88 F CB -0.455 38.524 39.000 -0.036 0.000 1.086 88 F HN 0.065 nan 8.300 nan 0.000 0.587 89 G N 0.874 109.740 108.800 0.110 0.000 2.697 89 G HA2 -0.149 3.824 3.960 0.022 0.000 0.686 89 G HA3 -0.149 3.824 3.960 0.022 0.000 0.686 89 G C 0.433 175.374 174.900 0.068 0.000 1.179 89 G CA -0.812 44.332 45.100 0.072 0.000 0.765 89 G HN -0.057 nan 8.290 nan 0.000 0.649 90 K N 0.520 120.944 120.400 0.040 0.000 2.211 90 K HA -0.019 4.314 4.320 0.022 0.000 0.204 90 K C 1.860 178.478 176.600 0.029 0.000 1.047 90 K CA 1.589 57.894 56.287 0.030 0.000 0.935 90 K CB -0.155 32.356 32.500 0.018 0.000 0.728 90 K HN 1.351 nan 8.250 nan 0.000 0.452 91 G N 0.872 109.689 108.800 0.029 0.000 4.432 91 G HA2 0.072 4.045 3.960 0.022 0.000 0.294 91 G HA3 0.072 4.045 3.960 0.022 0.000 0.294 91 G C -0.327 174.584 174.900 0.019 0.000 1.141 91 G CA -0.367 44.745 45.100 0.020 0.000 0.895 91 G HN 0.141 nan 8.290 nan 0.000 0.548 92 S N -0.129 115.591 115.700 0.033 0.000 2.579 92 S HA 0.459 4.942 4.470 0.022 0.000 0.275 92 S C 1.895 176.483 174.600 -0.019 0.000 1.345 92 S CA 0.336 58.546 58.200 0.017 0.000 1.031 92 S CB 1.127 64.357 63.200 0.050 0.000 0.892 92 S HN 0.594 nan 8.310 nan 0.000 0.529 93 A N 4.340 127.135 122.820 -0.041 0.000 1.969 93 A HA 0.045 4.378 4.320 0.022 0.000 0.218 93 A C 2.047 179.580 177.584 -0.085 0.000 1.169 93 A CA 0.985 52.990 52.037 -0.053 0.000 0.635 93 A CB -0.655 18.315 19.000 -0.050 0.000 0.810 93 A HN 0.843 nan 8.150 nan 0.000 0.445 94 L N -0.692 120.443 121.223 -0.147 0.000 2.083 94 L HA -0.176 4.178 4.340 0.022 0.000 0.209 94 L C 2.403 179.191 176.870 -0.137 0.000 1.083 94 L CA 1.398 56.105 54.840 -0.222 0.000 0.752 94 L CB -0.757 40.991 42.059 -0.518 0.000 0.899 94 L HN 0.409 nan 8.230 nan 0.000 0.433 95 I N -0.196 120.329 120.570 -0.075 0.000 2.277 95 I HA -0.209 3.974 4.170 0.022 0.000 0.243 95 I C 2.036 178.137 176.117 -0.026 0.000 1.094 95 I CA 1.212 62.498 61.300 -0.023 0.000 1.393 95 I CB -0.356 37.658 38.000 0.023 0.000 1.078 95 I HN 0.300 nan 8.210 nan 0.000 0.417 96 N N 0.833 119.518 118.700 -0.025 0.000 2.120 96 N HA -0.172 4.581 4.740 0.022 0.000 0.188 96 N C 0.886 176.381 175.510 -0.025 0.000 1.024 96 N CA 1.144 54.182 53.050 -0.020 0.000 0.852 96 N CB 0.022 38.499 38.487 -0.016 0.000 1.003 96 N HN 0.252 nan 8.380 nan 0.000 0.424 97 D N 0.712 121.091 120.400 -0.036 0.000 2.349 97 D HA 0.007 4.660 4.640 0.022 0.000 0.224 97 D C 0.020 176.298 176.300 -0.038 0.000 1.029 97 D CA 0.450 54.429 54.000 -0.035 0.000 0.879 97 D CB 0.179 40.955 40.800 -0.041 0.000 0.906 97 D HN -0.024 nan 8.370 nan 0.000 0.528 98 K N 0.197 120.571 120.400 -0.043 0.000 3.148 98 K HA -0.230 4.103 4.320 0.022 0.000 0.267 98 K C 0.612 177.179 176.600 -0.056 0.000 0.996 98 K CA 0.215 56.475 56.287 -0.046 0.000 0.737 98 K CB -1.521 30.960 32.500 -0.031 0.000 1.308 98 K HN 0.390 nan 8.250 nan 0.000 0.470 99 R N -0.760 119.694 120.500 -0.076 0.000 2.300 99 R HA 0.165 4.519 4.340 0.022 0.000 0.199 99 R C 0.788 177.032 176.300 -0.094 0.000 0.920 99 R CA 0.788 56.841 56.100 -0.078 0.000 1.046 99 R CB 0.600 30.845 30.300 -0.092 0.000 0.984 99 R HN 0.299 nan 8.270 nan 0.000 0.493 100 A N 1.056 123.811 122.820 -0.109 0.000 2.365 100 A HA 0.683 5.016 4.320 0.022 0.000 0.318 100 A C -0.736 176.747 177.584 -0.169 0.000 1.091 100 A CA -0.801 51.173 52.037 -0.104 0.000 0.763 100 A CB 1.282 20.256 19.000 -0.043 0.000 1.248 100 A HN -0.036 nan 8.150 nan 0.000 0.442 101 R N 0.658 120.977 120.500 -0.302 0.000 2.686 101 R HA 0.734 5.088 4.340 0.022 0.000 0.286 101 R C -1.263 174.690 176.300 -0.577 0.000 0.969 101 R CA -0.427 55.286 56.100 -0.645 0.000 0.898 101 R CB 1.795 31.308 30.300 -1.312 0.000 1.183 101 R HN 0.710 nan 8.270 nan 0.000 0.456 102 T N 0.854 115.161 114.554 -0.413 0.000 2.848 102 T HA 0.662 5.025 4.350 0.022 0.000 0.285 102 T C -0.778 174.060 174.700 0.230 0.000 0.995 102 T CA -0.603 61.469 62.100 -0.047 0.000 0.970 102 T CB 1.947 70.825 68.868 0.017 0.000 0.976 102 T HN 0.607 nan 8.240 nan 0.000 0.441 103 A N 2.904 125.947 122.820 0.372 0.000 2.318 103 A HA 0.649 4.982 4.320 0.022 0.000 0.324 103 A C -0.062 177.701 177.584 0.298 0.000 1.170 103 A CA -0.749 51.520 52.037 0.388 0.000 0.810 103 A CB 0.958 20.162 19.000 0.340 0.000 1.198 103 A HN 0.781 nan 8.150 nan 0.000 0.484 104 Q N 1.668 121.624 119.800 0.261 0.000 2.304 104 Q HA 0.475 4.829 4.340 0.022 0.000 0.260 104 Q C -0.127 175.944 176.000 0.118 0.000 0.965 104 Q CA 0.149 56.063 55.803 0.185 0.000 0.898 104 Q CB 0.596 29.285 28.738 -0.081 0.000 1.196 104 Q HN 0.836 nan 8.270 nan 0.000 0.402 105 T N 0.588 115.193 114.554 0.085 0.000 2.887 105 T HA 0.534 4.897 4.350 0.022 0.000 0.292 105 T C -2.696 171.931 174.700 -0.122 0.000 1.087 105 T CA -2.251 59.864 62.100 0.024 0.000 1.009 105 T CB 1.585 70.516 68.868 0.106 0.000 1.203 105 T HN 0.412 nan 8.240 nan 0.000 0.518 106 P HA 0.399 nan 4.420 nan 0.000 0.241 106 P C 0.655 177.885 177.300 -0.116 0.000 1.760 106 P CA 1.057 64.000 63.100 -0.262 0.000 1.081 106 P CB -0.475 30.968 31.700 -0.428 0.000 1.975 107 G N 1.537 110.302 108.800 -0.058 0.000 2.795 107 G HA2 -0.106 3.867 3.960 0.022 0.000 0.664 107 G HA3 -0.106 3.867 3.960 0.022 0.000 0.664 107 G C 1.037 175.932 174.900 -0.008 0.000 1.381 107 G CA -0.537 44.551 45.100 -0.019 0.000 0.853 107 G HN 0.384 nan 8.290 nan 0.000 0.545 108 G N -1.456 107.323 108.800 -0.036 0.000 2.443 108 G HA2 0.119 4.093 3.960 0.022 0.000 0.219 108 G HA3 0.119 4.093 3.960 0.022 0.000 0.219 108 G C 1.781 176.683 174.900 0.003 0.000 1.131 108 G CA 2.336 47.406 45.100 -0.051 0.000 0.775 108 G HN 1.183 nan 8.290 nan 0.000 0.547 109 T N 0.842 115.419 114.554 0.039 0.000 2.777 109 T HA -0.004 4.359 4.350 0.022 0.000 0.266 109 T C 2.510 177.253 174.700 0.071 0.000 1.040 109 T CA 1.258 63.434 62.100 0.126 0.000 1.141 109 T CB -0.384 68.600 68.868 0.195 0.000 0.868 109 T HN 0.327 nan 8.240 nan 0.000 0.444 110 G N 0.978 109.801 108.800 0.038 0.000 2.422 110 G HA2 -0.000 3.973 3.960 0.022 0.000 0.218 110 G HA3 -0.000 3.973 3.960 0.022 0.000 0.218 110 G C 1.771 176.726 174.900 0.092 0.000 1.140 110 G CA 0.819 45.943 45.100 0.039 0.000 0.775 110 G HN 0.565 nan 8.290 nan 0.000 0.545 111 A N 0.527 123.398 122.820 0.086 0.000 1.930 111 A HA 0.153 4.486 4.320 0.022 0.000 0.217 111 A C 2.383 180.045 177.584 0.130 0.000 1.175 111 A CA 1.041 53.149 52.037 0.119 0.000 0.627 111 A CB -0.309 18.755 19.000 0.107 0.000 0.815 111 A HN 0.352 nan 8.150 nan 0.000 0.443 112 L N -1.090 120.195 121.223 0.103 0.000 2.093 112 L HA -0.122 4.232 4.340 0.022 0.000 0.208 112 L C 2.696 179.569 176.870 0.005 0.000 1.085 112 L CA 1.488 56.373 54.840 0.075 0.000 0.755 112 L CB -0.349 41.731 42.059 0.035 0.000 0.904 112 L HN 0.377 nan 8.230 nan 0.000 0.435 113 R N 0.722 121.228 120.500 0.011 0.000 2.115 113 R HA -0.112 4.242 4.340 0.022 0.000 0.226 113 R C 2.071 178.432 176.300 0.101 0.000 1.100 113 R CA 1.886 57.997 56.100 0.019 0.000 0.980 113 R CB -0.843 29.474 30.300 0.028 0.000 0.875 113 R HN 0.338 nan 8.270 nan 0.000 0.445 114 V N -1.308 118.691 119.914 0.142 0.000 2.591 114 V HA 0.130 4.264 4.120 0.022 0.000 0.249 114 V C 2.056 178.278 176.094 0.214 0.000 1.053 114 V CA 1.425 63.822 62.300 0.162 0.000 1.068 114 V CB -0.837 31.080 31.823 0.156 0.000 0.689 114 V HN 0.290 nan 8.190 nan 0.000 0.462 115 A N 1.017 123.975 122.820 0.230 0.000 1.858 115 A HA 0.057 4.390 4.320 0.022 0.000 0.216 115 A C 2.572 180.382 177.584 0.377 0.000 1.190 115 A CA 2.543 54.775 52.037 0.324 0.000 0.617 115 A CB -1.303 17.885 19.000 0.313 0.000 0.827 115 A HN 1.019 nan 8.150 nan 0.000 0.443 116 A N 0.030 123.036 122.820 0.310 0.000 1.883 116 A HA -0.244 4.089 4.320 0.022 0.000 0.217 116 A C 1.817 179.530 177.584 0.214 0.000 1.186 116 A CA 2.108 54.328 52.037 0.305 0.000 0.624 116 A CB -0.735 18.397 19.000 0.220 0.000 0.822 116 A HN 0.479 nan 8.150 nan 0.000 0.444 117 D N -1.191 119.317 120.400 0.180 0.000 2.097 117 D HA -0.134 4.520 4.640 0.022 0.000 0.195 117 D C 1.660 178.055 176.300 0.158 0.000 0.989 117 D CA 1.506 55.589 54.000 0.138 0.000 0.827 117 D CB -0.496 40.374 40.800 0.117 0.000 0.966 117 D HN 0.505 nan 8.370 nan 0.000 0.456 118 F N 1.150 121.145 119.950 0.076 0.000 2.102 118 F HA -0.182 4.359 4.527 0.023 0.000 0.298 118 F C 1.949 177.800 175.800 0.085 0.000 1.105 118 F CA 0.937 58.981 58.000 0.072 0.000 1.239 118 F CB -0.317 38.735 39.000 0.087 0.000 0.991 118 F HN -0.136 nan 8.300 nan 0.000 0.474 119 L N 0.907 122.074 121.223 -0.094 0.000 2.046 119 L HA -0.084 4.269 4.340 0.022 0.000 0.208 119 L C 2.767 179.557 176.870 -0.133 0.000 1.077 119 L CA 1.921 56.646 54.840 -0.190 0.000 0.747 119 L CB -1.848 40.264 42.059 0.089 0.000 0.896 119 L HN 0.311 nan 8.230 nan 0.000 0.432 120 A N -0.842 121.963 122.820 -0.024 0.000 1.933 120 A HA -0.163 4.170 4.320 0.022 0.000 0.218 120 A C 2.066 179.626 177.584 -0.040 0.000 1.175 120 A CA 1.506 53.538 52.037 -0.009 0.000 0.628 120 A CB -0.262 18.760 19.000 0.038 0.000 0.814 120 A HN 0.350 nan 8.150 nan 0.000 0.444 121 K N -0.441 119.923 120.400 -0.061 0.000 2.352 121 K HA 0.149 4.482 4.320 0.022 0.000 0.194 121 K C 0.437 176.981 176.600 -0.095 0.000 1.038 121 K CA 0.392 56.646 56.287 -0.054 0.000 1.023 121 K CB -0.126 32.363 32.500 -0.019 0.000 0.840 121 K HN 0.464 nan 8.250 nan 0.000 0.519 122 N N 1.117 119.694 118.700 -0.206 0.000 2.184 122 N HA 0.009 4.762 4.740 0.022 0.000 0.206 122 N C 0.347 175.726 175.510 -0.218 0.000 1.151 122 N CA 0.333 53.245 53.050 -0.230 0.000 0.878 122 N CB 1.230 39.505 38.487 -0.352 0.000 1.014 122 N HN 0.325 nan 8.380 nan 0.000 0.512 123 T N -2.588 111.848 114.554 -0.197 0.000 2.716 123 T HA 0.295 4.658 4.350 0.022 0.000 0.286 123 T C 0.539 175.205 174.700 -0.057 0.000 1.052 123 T CA -0.590 61.439 62.100 -0.118 0.000 1.024 123 T CB 1.443 70.234 68.868 -0.128 0.000 1.349 123 T HN -0.081 nan 8.240 nan 0.000 0.525 124 S N -0.133 115.555 115.700 -0.020 0.000 2.583 124 S HA 0.336 4.819 4.470 0.022 0.000 0.239 124 S C 0.694 175.304 174.600 0.016 0.000 0.966 124 S CA -0.120 58.081 58.200 0.001 0.000 0.973 124 S CB -1.102 62.107 63.200 0.015 0.000 0.794 124 S HN 1.249 nan 8.310 nan 0.000 0.463 125 V N 0.116 120.037 119.914 0.011 0.000 2.614 125 V HA 0.611 4.745 4.120 0.022 0.000 0.291 125 V C -0.389 175.716 176.094 0.018 0.000 1.049 125 V CA -0.532 61.785 62.300 0.029 0.000 1.038 125 V CB 0.758 32.603 31.823 0.037 0.000 0.980 125 V HN 0.176 nan 8.190 nan 0.000 0.481 134 W N 3.740 124.867 121.300 -0.290 0.000 2.316 134 W HA 0.735 5.408 4.660 0.022 0.000 0.308 134 W C -0.208 176.263 176.519 -0.080 0.000 1.106 134 W CA -0.480 56.768 57.345 -0.161 0.000 1.262 134 W CB 1.681 31.009 29.460 -0.219 0.000 1.233 134 W HN 0.369 nan 8.180 nan 0.000 0.447 135 V N 3.721 123.631 119.914 -0.006 0.000 2.547 135 V HA 0.391 4.524 4.120 0.022 0.000 0.299 135 V C 0.430 176.251 176.094 -0.454 0.000 1.040 135 V CA -1.046 61.174 62.300 -0.134 0.000 0.913 135 V CB 1.652 33.406 31.823 -0.115 0.000 0.992 135 V HN 0.564 nan 8.190 nan 0.000 0.449 136 S N 3.108 118.379 115.700 -0.714 0.000 2.584 136 S HA 0.226 4.710 4.470 0.022 0.000 0.270 136 S C -0.122 174.223 174.600 -0.426 0.000 1.346 136 S CA -0.390 57.161 58.200 -1.081 0.000 1.018 136 S CB 0.556 63.270 63.200 -0.810 0.000 0.899 136 S HN 0.723 nan 8.310 nan 0.000 0.542 137 N N 2.636 121.180 118.700 -0.261 0.000 2.518 137 N HA 0.507 5.260 4.740 0.022 0.000 0.254 137 N C -2.660 172.918 175.510 0.113 0.000 0.979 137 N CA -1.907 51.123 53.050 -0.033 0.000 0.930 137 N CB 1.580 40.067 38.487 0.001 0.000 1.152 137 N HN 0.502 nan 8.380 nan 0.000 0.505 138 P HA 0.385 nan 4.420 nan 0.000 0.287 138 P C -0.680 176.661 177.300 0.068 0.000 1.296 138 P CA -0.391 62.767 63.100 0.097 0.000 0.811 138 P CB 1.754 33.557 31.700 0.173 0.000 1.211 139 S N -1.739 114.005 115.700 0.073 0.000 2.776 139 S HA 0.438 4.921 4.470 0.022 0.000 0.292 139 S C -1.823 172.909 174.600 0.221 0.000 1.187 139 S CA -0.680 57.593 58.200 0.121 0.000 0.834 139 S CB 0.140 63.483 63.200 0.238 0.000 1.199 139 S HN 0.452 nan 8.310 nan 0.000 0.514 140 W N 4.407 125.778 121.300 0.119 0.000 2.397 140 W HA 0.329 5.003 4.660 0.022 0.000 0.327 140 W C -1.745 174.756 176.519 -0.029 0.000 1.421 140 W CA -1.693 55.615 57.345 -0.061 0.000 1.288 140 W CB 0.402 29.705 29.460 -0.262 0.000 1.312 140 W HN 0.505 nan 8.180 nan 0.000 0.559 141 P HA -0.284 nan 4.420 nan 0.000 0.219 141 P C 1.097 178.095 177.300 -0.502 0.000 1.146 141 P CA 1.839 64.762 63.100 -0.296 0.000 0.808 141 P CB 0.248 31.810 31.700 -0.230 0.000 0.779 142 N N -0.849 117.181 118.700 -1.118 0.000 2.512 142 N HA -0.119 4.634 4.740 0.022 0.000 0.183 142 N C 1.663 176.743 175.510 -0.716 0.000 1.073 142 N CA 0.587 52.977 53.050 -1.099 0.000 0.911 142 N CB -0.768 36.719 38.487 -1.666 0.000 0.964 142 N HN 0.280 nan 8.380 nan 0.000 0.447 143 H N -0.146 118.662 119.070 -0.436 0.000 2.290 143 H HA -0.106 4.464 4.556 0.023 0.000 0.298 143 H C 1.978 177.324 175.328 0.030 0.000 1.087 143 H CA 1.643 57.682 56.048 -0.014 0.000 1.291 143 H CB 0.138 30.054 29.762 0.256 0.000 1.369 143 H HN 0.148 nan 8.280 nan 0.000 0.492 144 K N 0.468 120.960 120.400 0.154 0.000 2.063 144 K HA -0.163 4.171 4.320 0.022 0.000 0.208 144 K C 2.245 178.862 176.600 0.027 0.000 1.048 144 K CA 1.782 58.132 56.287 0.106 0.000 0.928 144 K CB 0.010 32.521 32.500 0.018 0.000 0.713 144 K HN 0.162 nan 8.250 nan 0.000 0.442 145 S N 0.349 115.999 115.700 -0.082 0.000 2.382 145 S HA -0.102 4.381 4.470 0.022 0.000 0.228 145 S C 1.961 176.494 174.600 -0.111 0.000 1.027 145 S CA 1.232 59.369 58.200 -0.106 0.000 0.991 145 S CB -0.116 62.986 63.200 -0.164 0.000 0.823 145 S HN 0.125 nan 8.310 nan 0.000 0.469 146 V N 1.166 120.966 119.914 -0.190 0.000 2.270 146 V HA -0.122 4.011 4.120 0.022 0.000 0.245 146 V C 1.967 177.927 176.094 -0.224 0.000 1.043 146 V CA 1.665 63.805 62.300 -0.267 0.000 1.014 146 V CB -0.846 30.700 31.823 -0.461 0.000 0.645 146 V HN 0.381 nan 8.190 nan 0.000 0.447 147 F N 0.893 120.861 119.950 0.029 0.000 2.171 147 F HA -0.111 4.430 4.527 0.023 0.000 0.300 147 F C 2.235 178.032 175.800 -0.004 0.000 1.090 147 F CA 1.631 59.642 58.000 0.019 0.000 1.293 147 F CB -1.117 37.887 39.000 0.007 0.000 1.013 147 F HN 0.199 nan 8.300 nan 0.000 0.486 148 N N -0.394 118.388 118.700 0.137 0.000 2.244 148 N HA -0.159 4.594 4.740 0.022 0.000 0.183 148 N C 1.977 177.508 175.510 0.035 0.000 1.016 148 N CA 1.105 54.192 53.050 0.062 0.000 0.866 148 N CB -0.154 38.347 38.487 0.023 0.000 0.980 148 N HN 0.262 nan 8.380 nan 0.000 0.430 149 S N 0.380 116.090 115.700 0.016 0.000 2.423 149 S HA 0.027 4.511 4.470 0.022 0.000 0.231 149 S C 1.870 176.483 174.600 0.022 0.000 1.014 149 S CA 0.718 58.920 58.200 0.004 0.000 0.965 149 S CB -0.028 63.161 63.200 -0.018 0.000 0.785 149 S HN 0.287 nan 8.310 nan 0.000 0.495 150 A N 0.542 123.390 122.820 0.046 0.000 2.218 150 A HA 0.575 4.909 4.320 0.022 0.000 0.209 150 A C 1.735 179.354 177.584 0.059 0.000 1.168 150 A CA 0.593 52.667 52.037 0.062 0.000 0.804 150 A CB -0.885 18.175 19.000 0.101 0.000 0.834 150 A HN 1.551 nan 8.150 nan 0.000 0.482 151 G N -2.017 106.816 108.800 0.055 0.000 2.163 151 G HA2 -0.145 3.828 3.960 0.022 0.000 0.213 151 G HA3 -0.145 3.828 3.960 0.022 0.000 0.213 151 G C -0.034 174.890 174.900 0.040 0.000 0.991 151 G CA 0.207 45.330 45.100 0.038 0.000 0.653 151 G HN 0.313 nan 8.290 nan 0.000 0.518 155 V N 2.903 122.712 119.914 -0.175 0.000 2.435 155 V HA 0.597 4.730 4.120 0.022 0.000 0.290 155 V C 0.051 175.925 176.094 -0.366 0.000 1.030 155 V CA -0.700 61.451 62.300 -0.248 0.000 0.881 155 V CB 1.471 33.229 31.823 -0.109 0.000 0.983 155 V HN 0.399 nan 8.190 nan 0.000 0.445 156 R N 2.764 122.898 120.500 -0.608 0.000 2.854 156 R HA 0.663 5.016 4.340 0.022 0.000 0.271 156 R C -0.813 175.151 176.300 -0.560 0.000 0.996 156 R CA -0.794 54.824 56.100 -0.803 0.000 0.961 156 R CB 2.268 31.523 30.300 -1.741 0.000 1.182 156 R HN 0.726 nan 8.270 nan 0.000 0.479 157 E N 1.389 121.398 120.200 -0.317 0.000 2.199 157 E HA 0.294 4.657 4.350 0.022 0.000 0.269 157 E C -1.030 175.695 176.600 0.208 0.000 0.899 157 E CA -0.730 55.628 56.400 -0.069 0.000 0.772 157 E CB 1.962 31.611 29.700 -0.085 0.000 1.155 157 E HN 0.443 nan 8.360 nan 0.000 0.408 158 Y N -0.013 120.412 120.300 0.207 0.000 2.419 158 Y HA 0.730 5.293 4.550 0.022 0.000 0.328 158 Y C -0.097 175.896 175.900 0.154 0.000 1.162 158 Y CA -1.478 56.748 58.100 0.211 0.000 1.174 158 Y CB 0.754 39.303 38.460 0.148 0.000 1.228 158 Y HN 0.449 nan 8.280 nan 0.000 0.473 159 A N 2.437 125.417 122.820 0.266 0.000 2.462 159 A HA 0.299 4.633 4.320 0.022 0.000 0.243 159 A C -0.755 176.984 177.584 0.259 0.000 1.076 159 A CA 0.070 52.216 52.037 0.180 0.000 0.773 159 A CB -0.199 18.876 19.000 0.125 0.000 1.010 159 A HN 1.018 nan 8.150 nan 0.000 0.493 160 Y N 1.585 121.912 120.300 0.044 0.000 3.208 160 Y HA 0.236 4.800 4.550 0.023 0.000 0.205 160 Y C 0.255 176.203 175.900 0.079 0.000 0.923 160 Y CA 0.226 58.351 58.100 0.043 0.000 1.596 160 Y CB -0.123 38.282 38.460 -0.092 0.000 1.478 160 Y HN 0.671 nan 8.280 nan 0.000 0.409 161 Y N 2.423 122.748 120.300 0.043 0.000 2.357 161 Y HA 0.321 4.885 4.550 0.023 0.000 0.340 161 Y C -0.511 175.362 175.900 -0.045 0.000 1.260 161 Y CA -0.472 57.617 58.100 -0.018 0.000 1.425 161 Y CB 0.569 39.096 38.460 0.112 0.000 1.326 161 Y HN 0.202 nan 8.280 nan 0.000 0.580 162 D N 3.499 123.485 120.400 -0.689 0.000 2.408 162 D HA 0.340 4.993 4.640 0.022 0.000 0.261 162 D C 0.472 176.113 176.300 -1.098 0.000 1.190 162 D CA 0.116 53.733 54.000 -0.639 0.000 0.910 162 D CB 0.864 41.423 40.800 -0.402 0.000 1.097 162 D HN 0.736 nan 8.370 nan 0.000 0.522 163 A N 3.603 125.886 122.820 -0.895 0.000 1.997 163 A HA -0.226 4.108 4.320 0.022 0.000 0.221 163 A C 1.833 179.029 177.584 -0.648 0.000 1.172 163 A CA 1.499 53.130 52.037 -0.678 0.000 0.645 163 A CB -0.205 18.665 19.000 -0.216 0.000 0.813 163 A HN 0.646 nan 8.150 nan 0.000 0.454 164 E N -0.422 119.460 120.200 -0.530 0.000 2.008 164 E HA -0.160 4.204 4.350 0.022 0.000 0.191 164 E C 1.541 177.757 176.600 -0.639 0.000 0.986 164 E CA 1.457 57.583 56.400 -0.456 0.000 0.807 164 E CB -0.242 29.293 29.700 -0.275 0.000 0.766 164 E HN 0.751 nan 8.360 nan 0.000 0.450 165 N N -0.376 118.010 118.700 -0.524 0.000 2.467 165 N HA -0.003 4.751 4.740 0.022 0.000 0.184 165 N C -0.806 174.478 175.510 -0.377 0.000 1.106 165 N CA 0.292 53.118 53.050 -0.374 0.000 0.892 165 N CB 0.113 38.478 38.487 -0.203 0.000 0.969 165 N HN 0.216 nan 8.380 nan 0.000 0.454 166 H N -1.510 117.321 119.070 -0.399 0.000 2.819 166 H HA -0.160 4.409 4.556 0.022 0.000 0.323 166 H C -0.243 175.031 175.328 -0.089 0.000 1.243 166 H CA 1.042 56.901 56.048 -0.317 0.000 1.163 166 H CB -1.855 27.449 29.762 -0.763 0.000 1.493 166 H HN 0.174 nan 8.280 nan 0.000 0.434 167 T N -0.999 113.491 114.554 -0.107 0.000 2.754 167 T HA 0.509 4.872 4.350 0.022 0.000 0.296 167 T C -0.878 173.758 174.700 -0.107 0.000 1.205 167 T CA -0.919 61.157 62.100 -0.039 0.000 1.009 167 T CB 1.464 70.296 68.868 -0.061 0.000 1.368 167 T HN 0.263 nan 8.240 nan 0.000 0.509 168 L N 2.459 123.589 121.223 -0.155 0.000 2.319 168 L HA 0.380 4.733 4.340 0.022 0.000 0.280 168 L C -0.431 176.339 176.870 -0.168 0.000 1.099 168 L CA -0.291 54.367 54.840 -0.303 0.000 0.828 168 L CB 0.748 42.576 42.059 -0.385 0.000 1.150 168 L HN 0.671 nan 8.230 nan 0.000 0.442 169 D N 4.316 124.624 120.400 -0.154 0.000 2.483 169 D HA -0.024 4.629 4.640 0.022 0.000 0.220 169 D C 0.768 177.085 176.300 0.028 0.000 1.173 169 D CA -0.075 53.889 54.000 -0.060 0.000 0.964 169 D CB 0.405 41.163 40.800 -0.070 0.000 1.046 169 D HN 0.430 nan 8.370 nan 0.000 0.517 170 F N 2.169 122.052 119.950 -0.111 0.000 2.293 170 F HA -0.138 4.402 4.527 0.022 0.000 0.300 170 F C 1.670 177.456 175.800 -0.023 0.000 1.086 170 F CA 0.995 58.954 58.000 -0.068 0.000 1.375 170 F CB 0.352 39.312 39.000 -0.068 0.000 1.045 170 F HN 0.302 nan 8.300 nan 0.000 0.516 171 D N -0.002 120.402 120.400 0.008 0.000 2.077 171 D HA -0.123 4.530 4.640 0.022 0.000 0.196 171 D C 2.396 178.651 176.300 -0.074 0.000 0.986 171 D CA 1.531 55.499 54.000 -0.054 0.000 0.829 171 D CB -0.710 40.084 40.800 -0.011 0.000 0.983 171 D HN 0.283 nan 8.370 nan 0.000 0.453 172 A N 1.101 123.900 122.820 -0.035 0.000 2.024 172 A HA -0.122 4.212 4.320 0.022 0.000 0.220 172 A C 2.250 179.834 177.584 0.001 0.000 1.164 172 A CA 0.759 52.789 52.037 -0.011 0.000 0.643 172 A CB -0.689 18.314 19.000 0.004 0.000 0.806 172 A HN 0.231 nan 8.150 nan 0.000 0.451 173 L N 0.182 121.389 121.223 -0.028 0.000 1.973 173 L HA -0.141 4.212 4.340 0.022 0.000 0.208 173 L C 2.613 179.414 176.870 -0.115 0.000 1.073 173 L CA 2.080 56.922 54.840 0.003 0.000 0.746 173 L CB -0.385 41.670 42.059 -0.007 0.000 0.891 173 L HN 0.633 nan 8.230 nan 0.000 0.433 174 I N -2.239 118.158 120.570 -0.287 0.000 2.335 174 I HA -0.265 3.919 4.170 0.022 0.000 0.251 174 I C 1.953 178.001 176.117 -0.115 0.000 1.129 174 I CA 1.558 62.716 61.300 -0.236 0.000 1.402 174 I CB -0.706 37.104 38.000 -0.317 0.000 1.069 174 I HN 0.309 nan 8.210 nan 0.000 0.424 175 N N 1.414 120.060 118.700 -0.090 0.000 2.188 175 N HA -0.105 4.649 4.740 0.022 0.000 0.184 175 N C 2.061 177.554 175.510 -0.029 0.000 1.018 175 N CA 1.601 54.624 53.050 -0.045 0.000 0.858 175 N CB -0.339 38.131 38.487 -0.028 0.000 0.989 175 N HN 0.395 nan 8.380 nan 0.000 0.426 176 S N 0.734 116.427 115.700 -0.011 0.000 2.356 176 S HA -0.003 4.481 4.470 0.022 0.000 0.223 176 S C 1.629 176.154 174.600 -0.125 0.000 1.032 176 S CA 0.532 58.747 58.200 0.025 0.000 1.005 176 S CB -0.124 63.163 63.200 0.146 0.000 0.867 176 S HN 0.162 nan 8.310 nan 0.000 0.449 177 L N 2.520 123.607 121.223 -0.226 0.000 2.456 177 L HA 0.059 4.412 4.340 0.022 0.000 0.224 177 L C 1.373 178.054 176.870 -0.315 0.000 1.148 177 L CA 1.084 55.622 54.840 -0.502 0.000 0.825 177 L CB -1.546 40.253 42.059 -0.432 0.000 0.937 177 L HN 0.243 nan 8.230 nan 0.000 0.450 178 N N -0.342 118.294 118.700 -0.107 0.000 2.550 178 N HA -0.143 4.611 4.740 0.022 0.000 0.186 178 N C 1.572 177.061 175.510 -0.035 0.000 1.110 178 N CA 0.387 53.442 53.050 0.007 0.000 0.912 178 N CB 0.100 38.590 38.487 0.005 0.000 0.968 178 N HN 0.465 nan 8.380 nan 0.000 0.448 179 E N -0.015 120.083 120.200 -0.171 0.000 2.474 179 E HA 0.151 4.515 4.350 0.022 0.000 0.194 179 E C -0.232 176.269 176.600 -0.164 0.000 1.041 179 E CA -0.225 56.129 56.400 -0.077 0.000 0.874 179 E CB 0.357 30.108 29.700 0.085 0.000 0.914 179 E HN 0.180 nan 8.360 nan 0.000 0.498 180 A N 1.265 123.728 122.820 -0.595 0.000 2.331 180 A HA 0.330 4.663 4.320 0.022 0.000 0.283 180 A C -0.278 177.313 177.584 0.012 0.000 1.142 180 A CA -0.396 51.217 52.037 -0.706 0.000 0.812 180 A CB 0.644 18.446 19.000 -1.996 0.000 1.074 180 A HN 0.093 nan 8.150 nan 0.000 0.497 181 Q N 0.789 120.690 119.800 0.168 0.000 2.180 181 Q HA 0.622 4.975 4.340 0.022 0.000 0.241 181 Q C 0.226 176.447 176.000 0.369 0.000 0.970 181 Q CA -0.391 55.574 55.803 0.270 0.000 0.919 181 Q CB 1.332 30.169 28.738 0.165 0.000 1.222 181 Q HN 0.935 nan 8.270 nan 0.000 0.482 182 A N 0.452 123.418 122.820 0.243 0.000 2.546 182 A HA 0.419 4.752 4.320 0.022 0.000 0.243 182 A C 1.058 178.757 177.584 0.192 0.000 1.063 182 A CA 0.867 53.023 52.037 0.199 0.000 0.757 182 A CB -0.994 18.048 19.000 0.071 0.000 0.991 182 A HN 0.995 nan 8.150 nan 0.000 0.503 183 G N 2.072 111.005 108.800 0.223 0.000 2.201 183 G HA2 -0.153 3.820 3.960 0.022 0.000 0.212 183 G HA3 -0.153 3.820 3.960 0.022 0.000 0.212 183 G C -0.151 174.852 174.900 0.171 0.000 0.994 183 G CA 0.185 45.386 45.100 0.169 0.000 0.644 183 G HN 0.779 nan 8.290 nan 0.000 0.508 184 D N 0.456 120.982 120.400 0.209 0.000 2.255 184 D HA 0.543 5.196 4.640 0.022 0.000 0.249 184 D C 0.611 176.993 176.300 0.138 0.000 1.078 184 D CA -0.140 53.964 54.000 0.173 0.000 0.896 184 D CB 1.883 42.783 40.800 0.167 0.000 1.194 184 D HN 0.134 nan 8.370 nan 0.000 0.429 185 V N 2.034 122.008 119.914 0.099 0.000 2.567 185 V HA 0.288 4.421 4.120 0.022 0.000 0.289 185 V C 0.131 176.208 176.094 -0.028 0.000 1.049 185 V CA -0.639 61.687 62.300 0.044 0.000 0.969 185 V CB 1.810 33.620 31.823 -0.022 0.000 0.995 185 V HN 0.266 nan 8.190 nan 0.000 0.471 186 V N 6.766 126.621 119.914 -0.099 0.000 2.407 186 V HA 0.445 4.578 4.120 0.022 0.000 0.291 186 V C -0.542 175.346 176.094 -0.343 0.000 1.018 186 V CA -0.637 61.486 62.300 -0.296 0.000 0.842 186 V CB 1.442 32.920 31.823 -0.575 0.000 0.996 186 V HN 0.725 nan 8.190 nan 0.000 0.426 187 L N 7.512 128.539 121.223 -0.326 0.000 2.319 187 L HA 0.546 4.899 4.340 0.022 0.000 0.280 187 L C -1.157 175.471 176.870 -0.403 0.000 1.099 187 L CA 0.635 55.305 54.840 -0.284 0.000 0.828 187 L CB 0.797 42.707 42.059 -0.248 0.000 1.150 187 L HN 0.629 nan 8.230 nan 0.000 0.442 188 F N 3.507 123.324 119.950 -0.221 0.000 2.551 188 F HA 0.417 4.957 4.527 0.022 0.000 0.316 188 F C 0.445 176.234 175.800 -0.017 0.000 1.089 188 F CA -0.688 57.194 58.000 -0.196 0.000 0.915 188 F CB 1.357 39.847 39.000 -0.849 0.000 1.186 188 F HN 0.408 nan 8.300 nan 0.000 0.456 189 H N 1.920 121.184 119.070 0.324 0.000 2.652 189 H HA 0.175 4.745 4.556 0.023 0.000 0.298 189 H C 0.986 176.595 175.328 0.469 0.000 1.076 189 H CA 0.106 56.348 56.048 0.323 0.000 1.360 189 H CB 1.601 31.504 29.762 0.235 0.000 1.421 189 H HN 0.955 nan 8.280 nan 0.000 0.464 190 G N 3.137 112.184 108.800 0.412 0.000 2.469 190 G HA2 -0.189 3.784 3.960 0.022 0.000 0.219 190 G HA3 -0.189 3.784 3.960 0.022 0.000 0.219 190 G C 0.610 175.673 174.900 0.271 0.000 1.150 190 G CA 1.180 46.289 45.100 0.015 0.000 0.763 190 G HN 0.754 nan 8.290 nan 0.000 0.561 191 C N -5.273 114.325 119.300 0.496 0.000 3.275 191 C HA 0.498 4.971 4.460 0.022 0.000 0.340 191 C C 0.426 175.702 174.990 0.478 0.000 1.366 191 C CA -0.933 58.391 59.018 0.511 0.000 1.227 191 C CB 0.658 28.699 27.740 0.502 0.000 1.512 191 C HN 0.940 nan 8.230 nan 0.000 0.461 192 C N 1.382 120.893 119.300 0.352 0.000 3.896 192 C HA -0.151 4.323 4.460 0.022 0.000 0.300 192 C C 0.499 175.610 174.990 0.202 0.000 1.322 192 C CA 1.248 60.377 59.018 0.186 0.000 2.130 192 C CB -3.509 24.229 27.740 -0.003 0.000 1.363 192 C HN 1.516 nan 8.230 nan 0.000 0.642 193 H N 1.524 120.714 119.070 0.200 0.000 3.214 193 H HA 0.153 4.722 4.556 0.023 0.000 0.291 193 H C 0.579 175.942 175.328 0.058 0.000 0.926 193 H CA 1.237 57.361 56.048 0.126 0.000 1.409 193 H CB 0.483 30.225 29.762 -0.033 0.000 1.406 193 H HN 0.607 nan 8.280 nan 0.000 0.561 194 N N 6.242 124.835 118.700 -0.180 0.000 2.422 194 N HA 0.149 4.902 4.740 0.022 0.000 0.266 194 N C -2.331 172.999 175.510 -0.300 0.000 1.007 194 N CA -2.352 50.629 53.050 -0.116 0.000 0.941 194 N CB 1.506 39.996 38.487 0.006 0.000 1.115 194 N HN 0.514 nan 8.380 nan 0.000 0.492 195 P HA 0.158 nan 4.420 nan 0.000 0.290 195 P C 0.590 177.669 177.300 -0.368 0.000 1.447 195 P CA 0.104 63.033 63.100 -0.284 0.000 1.127 195 P CB 0.217 31.675 31.700 -0.404 0.000 1.555 196 T N -4.832 109.605 114.554 -0.195 0.000 3.054 196 T HA 0.210 4.574 4.350 0.022 0.000 0.259 196 T C 1.708 176.390 174.700 -0.030 0.000 1.092 196 T CA 1.184 63.086 62.100 -0.330 0.000 1.121 196 T CB -1.057 67.598 68.868 -0.355 0.000 0.912 196 T HN 0.155 nan 8.240 nan 0.000 0.489 197 G N 1.500 110.364 108.800 0.106 0.000 2.189 197 G HA2 -0.237 3.737 3.960 0.022 0.000 0.267 197 G HA3 -0.237 3.737 3.960 0.022 0.000 0.267 197 G C 0.080 175.079 174.900 0.165 0.000 0.975 197 G CA 0.309 45.487 45.100 0.129 0.000 0.644 197 G HN 0.688 nan 8.290 nan 0.000 0.537 198 I N 1.831 122.500 120.570 0.165 0.000 2.352 198 I HA 0.370 4.553 4.170 0.022 0.000 0.290 198 I C -0.485 175.767 176.117 0.225 0.000 1.036 198 I CA -0.453 60.942 61.300 0.158 0.000 1.336 198 I CB 0.891 38.953 38.000 0.102 0.000 1.407 198 I HN -0.051 nan 8.210 nan 0.000 0.497 199 D N 7.454 127.963 120.400 0.182 0.000 2.433 199 D HA 0.442 5.095 4.640 0.022 0.000 0.236 199 D C -2.389 173.922 176.300 0.019 0.000 1.026 199 D CA -1.405 52.721 54.000 0.210 0.000 0.884 199 D CB 1.753 42.728 40.800 0.292 0.000 1.384 199 D HN 0.161 nan 8.370 nan 0.000 0.477 200 P HA 0.113 nan 4.420 nan 0.000 0.271 200 P C -0.012 177.091 177.300 -0.328 0.000 1.218 200 P CA -0.139 62.651 63.100 -0.517 0.000 0.780 200 P CB 0.611 31.556 31.700 -1.259 0.000 0.901 201 T N 1.282 115.684 114.554 -0.253 0.000 2.847 201 T HA 0.100 4.464 4.350 0.022 0.000 0.279 201 T C 1.178 175.917 174.700 0.065 0.000 0.984 201 T CA -0.521 61.550 62.100 -0.047 0.000 0.988 201 T CB 0.120 68.945 68.868 -0.072 0.000 1.040 201 T HN 0.181 nan 8.240 nan 0.000 0.528 202 L N 1.883 123.213 121.223 0.180 0.000 2.013 202 L HA -0.048 4.306 4.340 0.022 0.000 0.212 202 L C 2.509 179.488 176.870 0.181 0.000 1.073 202 L CA 1.980 56.972 54.840 0.254 0.000 0.753 202 L CB -1.004 41.156 42.059 0.169 0.000 0.890 202 L HN 0.742 nan 8.230 nan 0.000 0.432 203 E N -0.509 119.733 120.200 0.070 0.000 2.085 203 E HA -0.291 4.072 4.350 0.022 0.000 0.194 203 E C 2.109 178.719 176.600 0.015 0.000 0.994 203 E CA 1.765 58.185 56.400 0.034 0.000 0.801 203 E CB -0.330 29.361 29.700 -0.014 0.000 0.743 203 E HN 0.713 nan 8.360 nan 0.000 0.453 204 Q N -0.728 118.997 119.800 -0.124 0.000 2.230 204 Q HA -0.108 4.245 4.340 0.022 0.000 0.202 204 Q C 1.948 177.985 176.000 0.062 0.000 0.963 204 Q CA 0.873 56.499 55.803 -0.295 0.000 0.866 204 Q CB -0.147 28.047 28.738 -0.906 0.000 0.931 204 Q HN 0.399 nan 8.270 nan 0.000 0.452 205 W N 1.091 122.451 121.300 0.099 0.000 2.418 205 W HA -0.120 4.553 4.660 0.022 0.000 0.292 205 W C 2.221 178.847 176.519 0.177 0.000 1.213 205 W CA 0.475 57.948 57.345 0.214 0.000 1.283 205 W CB 0.286 29.864 29.460 0.197 0.000 1.119 205 W HN 0.183 nan 8.180 nan 0.000 0.542 206 Q N -0.785 119.215 119.800 0.334 0.000 2.119 206 Q HA -0.137 4.216 4.340 0.022 0.000 0.201 206 Q C 1.977 178.043 176.000 0.110 0.000 0.972 206 Q CA 1.808 57.706 55.803 0.158 0.000 0.847 206 Q CB -0.507 28.300 28.738 0.115 0.000 0.903 206 Q HN 0.150 nan 8.270 nan 0.000 0.433 207 T N 1.047 115.705 114.554 0.173 0.000 2.821 207 T HA -0.088 4.276 4.350 0.022 0.000 0.267 207 T C 1.636 176.447 174.700 0.185 0.000 1.046 207 T CA 0.670 62.877 62.100 0.179 0.000 1.139 207 T CB -0.054 68.993 68.868 0.299 0.000 0.871 207 T HN 0.037 nan 8.240 nan 0.000 0.454 208 L N 1.133 122.531 121.223 0.291 0.000 2.056 208 L HA 0.162 4.515 4.340 0.022 0.000 0.207 208 L C 2.702 179.576 176.870 0.007 0.000 1.078 208 L CA 1.375 56.416 54.840 0.336 0.000 0.749 208 L CB -1.170 41.239 42.059 0.584 0.000 0.901 208 L HN 0.221 nan 8.230 nan 0.000 0.433 209 A N -1.243 121.307 122.820 -0.450 0.000 1.902 209 A HA -0.265 4.069 4.320 0.022 0.000 0.217 209 A C 2.249 179.626 177.584 -0.344 0.000 1.181 209 A CA 1.728 53.138 52.037 -1.045 0.000 0.623 209 A CB -0.528 17.996 19.000 -0.794 0.000 0.818 209 A HN 0.463 nan 8.150 nan 0.000 0.443 210 Q N -0.551 119.140 119.800 -0.182 0.000 2.046 210 Q HA -0.105 4.248 4.340 0.022 0.000 0.200 210 Q C 1.841 177.755 176.000 -0.144 0.000 0.975 210 Q CA 1.799 57.522 55.803 -0.135 0.000 0.836 210 Q CB -0.520 28.174 28.738 -0.073 0.000 0.896 210 Q HN 0.481 nan 8.270 nan 0.000 0.428 211 L N 0.015 121.183 121.223 -0.093 0.000 2.141 211 L HA -0.064 4.289 4.340 0.022 0.000 0.209 211 L C 2.311 179.012 176.870 -0.282 0.000 1.094 211 L CA 2.106 56.869 54.840 -0.128 0.000 0.763 211 L CB -1.002 41.049 42.059 -0.013 0.000 0.908 211 L HN 0.333 nan 8.230 nan 0.000 0.437 212 S N -1.482 114.139 115.700 -0.132 0.000 2.368 212 S HA -0.154 4.330 4.470 0.022 0.000 0.225 212 S C 1.969 176.397 174.600 -0.286 0.000 1.030 212 S CA 1.509 59.627 58.200 -0.137 0.000 0.999 212 S CB -0.354 63.172 63.200 0.543 0.000 0.844 212 S HN 0.308 nan 8.310 nan 0.000 0.459 213 V N 1.573 121.304 119.914 -0.305 0.000 2.295 213 V HA -0.161 3.972 4.120 0.022 0.000 0.246 213 V C 2.530 178.423 176.094 -0.334 0.000 1.049 213 V CA 2.345 64.394 62.300 -0.419 0.000 1.024 213 V CB -0.825 30.738 31.823 -0.434 0.000 0.648 213 V HN 0.591 nan 8.190 nan 0.000 0.447 214 E N 0.015 120.016 120.200 -0.331 0.000 2.058 214 E HA -0.239 4.124 4.350 0.022 0.000 0.194 214 E C 2.019 178.386 176.600 -0.388 0.000 0.997 214 E CA 1.249 57.467 56.400 -0.303 0.000 0.801 214 E CB 0.068 29.613 29.700 -0.258 0.000 0.746 214 E HN 0.411 nan 8.360 nan 0.000 0.450 215 K N -1.049 118.950 120.400 -0.668 0.000 2.400 215 K HA 0.100 4.433 4.320 0.022 0.000 0.194 215 K C 0.962 177.160 176.600 -0.669 0.000 1.033 215 K CA 0.809 56.565 56.287 -0.885 0.000 1.021 215 K CB 0.665 32.054 32.500 -1.852 0.000 0.808 215 K HN 0.284 nan 8.250 nan 0.000 0.505 216 G N 1.951 110.467 108.800 -0.473 0.000 2.248 216 G HA2 -0.209 3.764 3.960 0.022 0.000 0.263 216 G HA3 -0.209 3.764 3.960 0.022 0.000 0.263 216 G C -0.456 174.548 174.900 0.174 0.000 1.082 216 G CA -0.161 44.869 45.100 -0.117 0.000 0.863 216 G HN 0.283 nan 8.290 nan 0.000 0.495 217 W N -0.905 120.459 121.300 0.106 0.000 2.237 217 W HA 0.618 5.291 4.660 0.022 0.000 0.335 217 W C 0.846 177.490 176.519 0.209 0.000 1.230 217 W CA -1.354 56.067 57.345 0.128 0.000 1.253 217 W CB 0.883 30.434 29.460 0.151 0.000 1.129 217 W HN 0.114 nan 8.180 nan 0.000 0.590 218 L N 6.398 127.870 121.223 0.416 0.000 2.272 218 L HA 0.343 4.696 4.340 0.022 0.000 0.284 218 L C -2.063 174.983 176.870 0.292 0.000 1.045 218 L CA -1.943 53.092 54.840 0.325 0.000 0.842 218 L CB 0.693 42.895 42.059 0.238 0.000 1.224 218 L HN 0.067 nan 8.230 nan 0.000 0.430 219 P HA 0.132 nan 4.420 nan 0.000 0.276 219 P C -1.022 176.406 177.300 0.213 0.000 1.235 219 P CA -0.277 62.985 63.100 0.271 0.000 0.772 219 P CB 1.732 33.621 31.700 0.315 0.000 0.871 220 L N 4.745 126.041 121.223 0.122 0.000 2.349 220 L HA 0.496 4.849 4.340 0.022 0.000 0.278 220 L C -1.108 175.820 176.870 0.096 0.000 0.996 220 L CA -0.983 53.955 54.840 0.162 0.000 0.825 220 L CB 0.766 42.910 42.059 0.142 0.000 1.243 220 L HN 0.179 nan 8.230 nan 0.000 0.412 221 F N 2.893 122.893 119.950 0.083 0.000 2.420 221 F HA 0.296 4.837 4.527 0.022 0.000 0.342 221 F C 0.233 176.069 175.800 0.060 0.000 1.113 221 F CA -0.289 57.728 58.000 0.029 0.000 1.059 221 F CB 1.425 40.347 39.000 -0.130 0.000 1.128 221 F HN 0.398 nan 8.300 nan 0.000 0.475 222 D N 3.992 124.524 120.400 0.220 0.000 2.412 222 D HA 0.148 4.801 4.640 0.022 0.000 0.224 222 D C -1.314 175.117 176.300 0.217 0.000 1.093 222 D CA -0.117 53.979 54.000 0.159 0.000 0.850 222 D CB 0.301 41.142 40.800 0.067 0.000 1.046 222 D HN 0.158 nan 8.370 nan 0.000 0.507 223 F N 3.577 123.538 119.950 0.018 0.000 2.366 223 F HA 0.476 5.018 4.527 0.025 0.000 0.357 223 F C 0.473 176.181 175.800 -0.152 0.000 1.107 223 F CA -1.354 56.633 58.000 -0.022 0.000 1.208 223 F CB 0.604 39.562 39.000 -0.070 0.000 1.464 223 F HN 0.472 nan 8.300 nan 0.000 0.501 224 A N 3.040 125.853 122.820 -0.012 0.000 2.303 224 A HA 0.128 4.461 4.320 0.022 0.000 0.217 224 A C -0.098 177.087 177.584 -0.665 0.000 1.205 224 A CA 0.396 52.166 52.037 -0.446 0.000 0.875 224 A CB -0.236 18.352 19.000 -0.688 0.000 0.910 224 A HN 0.487 nan 8.150 nan 0.000 0.501 225 Y N 0.019 120.344 120.300 0.042 0.000 2.672 225 Y HA 0.309 4.872 4.550 0.023 0.000 0.272 225 Y C 0.507 176.504 175.900 0.162 0.000 1.055 225 Y CA -0.787 57.389 58.100 0.127 0.000 1.151 225 Y CB -0.032 38.493 38.460 0.108 0.000 1.190 225 Y HN 0.318 nan 8.280 nan 0.000 0.574 226 Q N 0.816 120.553 119.800 -0.106 0.000 2.274 226 Q HA 0.339 4.693 4.340 0.022 0.000 0.280 226 Q C 1.113 177.100 176.000 -0.022 0.000 1.047 226 Q CA 1.469 57.134 55.803 -0.229 0.000 0.907 226 Q CB 0.398 28.683 28.738 -0.755 0.000 1.171 226 Q HN 0.847 nan 8.270 nan 0.000 0.381 227 G N 3.254 112.056 108.800 0.002 0.000 2.238 227 G HA2 -0.272 3.701 3.960 0.022 0.000 0.217 227 G HA3 -0.272 3.701 3.960 0.022 0.000 0.217 227 G C 0.257 175.035 174.900 -0.203 0.000 0.996 227 G CA 0.066 45.079 45.100 -0.146 0.000 0.632 227 G HN 0.667 nan 8.290 nan 0.000 0.503 228 F N 1.481 121.444 119.950 0.023 0.000 2.664 228 F HA 0.511 5.050 4.527 0.020 0.000 0.296 228 F C 2.596 178.416 175.800 0.034 0.000 1.125 228 F CA 1.441 59.458 58.000 0.028 0.000 1.444 228 F CB 0.204 39.256 39.000 0.087 0.000 1.114 228 F HN 0.378 nan 8.300 nan 0.000 0.576 229 A N 0.196 123.146 122.820 0.216 0.000 1.896 229 A HA 0.136 4.469 4.320 0.022 0.000 0.213 229 A C 2.004 179.647 177.584 0.098 0.000 1.306 229 A CA 0.893 53.030 52.037 0.167 0.000 0.626 229 A CB -0.104 19.019 19.000 0.205 0.000 0.994 229 A HN 0.242 nan 8.150 nan 0.000 0.475 230 R N -2.555 117.991 120.500 0.077 0.000 2.444 230 R HA 0.406 4.759 4.340 0.022 0.000 0.201 230 R C 0.572 176.866 176.300 -0.010 0.000 0.861 230 R CA 0.668 56.790 56.100 0.037 0.000 1.034 230 R CB 1.272 31.607 30.300 0.058 0.000 1.347 230 R HN 0.642 nan 8.270 nan 0.000 0.659 234 E N 1.013 121.209 120.200 -0.006 0.000 2.122 234 E HA -0.090 4.273 4.350 0.022 0.000 0.190 234 E C 1.467 178.089 176.600 0.035 0.000 0.977 234 E CA 0.983 57.392 56.400 0.015 0.000 0.820 234 E CB 0.320 30.024 29.700 0.007 0.000 0.770 234 E HN 0.406 nan 8.360 nan 0.000 0.462 235 E N 1.286 121.507 120.200 0.036 0.000 2.077 235 E HA -0.161 4.202 4.350 0.022 0.000 0.193 235 E C 1.545 178.203 176.600 0.095 0.000 0.989 235 E CA 1.254 57.688 56.400 0.057 0.000 0.800 235 E CB -0.121 29.610 29.700 0.051 0.000 0.746 235 E HN 0.144 nan 8.360 nan 0.000 0.452 236 D N -0.369 120.107 120.400 0.126 0.000 2.264 236 D HA -0.059 4.595 4.640 0.022 0.000 0.208 236 D C 1.306 177.771 176.300 0.274 0.000 0.966 236 D CA 1.147 55.282 54.000 0.225 0.000 0.864 236 D CB -0.097 40.860 40.800 0.262 0.000 0.933 236 D HN 0.220 nan 8.370 nan 0.000 0.499 237 A N 0.834 123.772 122.820 0.196 0.000 2.275 237 A HA -0.017 4.316 4.320 0.022 0.000 0.212 237 A C 1.812 179.338 177.584 -0.097 0.000 1.201 237 A CA 0.213 52.318 52.037 0.114 0.000 0.843 237 A CB -0.378 18.701 19.000 0.132 0.000 0.873 237 A HN 0.321 nan 8.150 nan 0.000 0.492 238 E N -0.347 119.815 120.200 -0.063 0.000 2.268 238 E HA -0.062 4.302 4.350 0.022 0.000 0.195 238 E C 1.677 178.144 176.600 -0.222 0.000 0.995 238 E CA 0.955 57.303 56.400 -0.086 0.000 0.836 238 E CB -0.440 29.259 29.700 -0.000 0.000 0.763 238 E HN 0.357 nan 8.360 nan 0.000 0.491 239 G N 2.012 110.522 108.800 -0.483 0.000 2.394 239 G HA2 -0.214 3.760 3.960 0.022 0.000 0.214 239 G HA3 -0.214 3.760 3.960 0.022 0.000 0.214 239 G C 1.556 175.887 174.900 -0.949 0.000 1.176 239 G CA 0.770 45.192 45.100 -1.130 0.000 0.786 239 G HN 0.285 nan 8.290 nan 0.000 0.533 240 L N 0.642 121.234 121.223 -1.052 0.000 2.046 240 L HA 0.089 4.442 4.340 0.022 0.000 0.208 240 L C 2.678 179.274 176.870 -0.457 0.000 1.077 240 L CA 1.664 55.764 54.840 -1.235 0.000 0.747 240 L CB -0.538 40.748 42.059 -1.288 0.000 0.896 240 L HN 0.117 nan 8.230 nan 0.000 0.432 241 R N -0.291 120.058 120.500 -0.251 0.000 2.189 241 R HA 0.008 4.361 4.340 0.022 0.000 0.223 241 R C 2.208 178.511 176.300 0.004 0.000 1.092 241 R CA 0.935 57.015 56.100 -0.032 0.000 0.989 241 R CB -0.513 29.786 30.300 -0.001 0.000 0.876 241 R HN 0.556 nan 8.270 nan 0.000 0.457 242 A N 0.144 122.960 122.820 -0.006 0.000 2.014 242 A HA -0.078 4.256 4.320 0.022 0.000 0.218 242 A C 1.609 179.265 177.584 0.120 0.000 1.163 242 A CA 0.916 52.994 52.037 0.070 0.000 0.652 242 A CB -0.262 18.805 19.000 0.112 0.000 0.808 242 A HN 0.168 nan 8.150 nan 0.000 0.449 243 F N -0.198 119.724 119.950 -0.046 0.000 2.270 243 F HA 0.131 4.672 4.527 0.023 0.000 0.295 243 F C 2.683 178.525 175.800 0.070 0.000 1.087 243 F CA 0.624 58.647 58.000 0.039 0.000 1.365 243 F CB -0.420 38.571 39.000 -0.014 0.000 1.056 243 F HN 0.235 nan 8.300 nan 0.000 0.506 244 A N -0.177 122.744 122.820 0.168 0.000 1.969 244 A HA 0.000 4.334 4.320 0.022 0.000 0.218 244 A C 2.298 179.903 177.584 0.035 0.000 1.169 244 A CA 1.502 53.580 52.037 0.068 0.000 0.635 244 A CB -1.164 17.834 19.000 -0.004 0.000 0.810 244 A HN 0.253 nan 8.150 nan 0.000 0.445 245 A N -1.702 121.144 122.820 0.043 0.000 2.168 245 A HA 0.189 4.522 4.320 0.022 0.000 0.215 245 A C 1.984 179.583 177.584 0.025 0.000 1.152 245 A CA 1.486 53.532 52.037 0.016 0.000 0.716 245 A CB -0.324 18.685 19.000 0.014 0.000 0.794 245 A HN 0.540 nan 8.150 nan 0.000 0.465 246 M N -1.765 117.881 119.600 0.076 0.000 2.379 246 M HA 0.202 4.695 4.480 0.022 0.000 0.265 246 M C -0.075 176.237 176.300 0.020 0.000 1.095 246 M CA 0.202 55.525 55.300 0.038 0.000 1.075 246 M CB 0.539 33.143 32.600 0.007 0.000 1.443 246 M HN 0.387 nan 8.290 nan 0.000 0.519 247 H N -0.067 119.011 119.070 0.013 0.000 2.533 247 H HA 0.293 4.863 4.556 0.023 0.000 0.343 247 H C 0.089 175.433 175.328 0.027 0.000 1.160 247 H CA -0.533 55.542 56.048 0.044 0.000 1.218 247 H CB 1.536 31.377 29.762 0.131 0.000 1.566 247 H HN -0.011 nan 8.280 nan 0.000 0.522 248 K N 1.071 121.550 120.400 0.132 0.000 2.262 248 K HA 0.061 4.395 4.320 0.022 0.000 0.200 248 K C -0.034 176.631 176.600 0.108 0.000 1.049 248 K CA 0.814 57.148 56.287 0.079 0.000 0.979 248 K CB 0.545 33.075 32.500 0.050 0.000 0.773 248 K HN 0.656 nan 8.250 nan 0.000 0.474 249 E N 0.558 120.866 120.200 0.181 0.000 2.340 249 E HA 0.541 4.904 4.350 0.022 0.000 0.273 249 E C -1.070 175.670 176.600 0.234 0.000 0.891 249 E CA -0.844 55.667 56.400 0.185 0.000 0.757 249 E CB 2.206 32.018 29.700 0.187 0.000 1.231 249 E HN -0.021 nan 8.360 nan 0.000 0.439 250 L N -1.639 119.707 121.223 0.204 0.000 2.947 250 L HA 0.610 4.963 4.340 0.022 0.000 0.267 250 L C -1.881 175.125 176.870 0.226 0.000 1.004 250 L CA -0.771 54.205 54.840 0.226 0.000 0.937 250 L CB 1.021 43.209 42.059 0.214 0.000 1.496 250 L HN 0.562 nan 8.230 nan 0.000 0.409 251 I N 1.546 122.268 120.570 0.253 0.000 2.545 251 I HA 0.764 4.947 4.170 0.022 0.000 0.292 251 I C -1.034 175.240 176.117 0.261 0.000 1.040 251 I CA -1.214 60.232 61.300 0.242 0.000 1.068 251 I CB 2.222 40.375 38.000 0.254 0.000 1.251 251 I HN 0.592 nan 8.210 nan 0.000 0.424 252 V N 5.403 125.451 119.914 0.224 0.000 2.483 252 V HA 0.821 4.954 4.120 0.022 0.000 0.297 252 V C -0.505 175.687 176.094 0.164 0.000 1.027 252 V CA -0.191 62.230 62.300 0.202 0.000 0.855 252 V CB 1.553 33.445 31.823 0.115 0.000 0.995 252 V HN 0.819 nan 8.190 nan 0.000 0.424 253 A N 5.586 128.512 122.820 0.178 0.000 2.253 253 A HA 0.825 5.159 4.320 0.022 0.000 0.316 253 A C 0.266 177.899 177.584 0.082 0.000 1.327 253 A CA 0.077 52.194 52.037 0.133 0.000 0.917 253 A CB 0.449 19.542 19.000 0.155 0.000 1.162 253 A HN 1.517 nan 8.150 nan 0.000 0.535 254 S N 1.622 117.326 115.700 0.006 0.000 2.621 254 S HA 0.834 5.317 4.470 0.022 0.000 0.302 254 S C -0.111 174.361 174.600 -0.214 0.000 1.093 254 S CA -0.532 57.591 58.200 -0.128 0.000 1.017 254 S CB 1.756 64.804 63.200 -0.253 0.000 1.077 254 S HN 0.972 nan 8.310 nan 0.000 0.517 255 S N -0.034 115.457 115.700 -0.350 0.000 2.568 255 S HA 0.644 5.127 4.470 0.022 0.000 0.293 255 S C -1.413 172.920 174.600 -0.444 0.000 1.089 255 S CA -0.578 57.440 58.200 -0.304 0.000 0.945 255 S CB 0.864 63.900 63.200 -0.274 0.000 1.077 255 S HN 0.719 nan 8.310 nan 0.000 0.485 256 Y N 1.594 121.842 120.300 -0.087 0.000 2.588 256 Y HA 0.295 4.861 4.550 0.026 0.000 0.247 256 Y C 2.111 177.977 175.900 -0.056 0.000 1.157 256 Y CA -0.193 57.889 58.100 -0.029 0.000 1.215 256 Y CB 0.274 38.640 38.460 -0.157 0.000 1.245 256 Y HN 0.578 nan 8.280 nan 0.000 0.534 257 S N 0.325 115.990 115.700 -0.057 0.000 2.356 257 S HA -0.193 4.290 4.470 0.022 0.000 0.223 257 S C 1.777 176.038 174.600 -0.565 0.000 1.032 257 S CA 1.795 59.841 58.200 -0.258 0.000 1.005 257 S CB -0.010 63.086 63.200 -0.174 0.000 0.867 257 S HN 0.342 nan 8.310 nan 0.000 0.449 258 K N 1.889 122.101 120.400 -0.314 0.000 2.128 258 K HA 0.101 4.434 4.320 0.022 0.000 0.202 258 K C 1.758 178.492 176.600 0.222 0.000 1.050 258 K CA 1.079 57.272 56.287 -0.157 0.000 0.966 258 K CB -0.328 32.094 32.500 -0.129 0.000 0.759 258 K HN 0.608 nan 8.250 nan 0.000 0.454 259 N N -0.545 118.355 118.700 0.334 0.000 2.459 259 N HA -0.086 4.668 4.740 0.022 0.000 0.181 259 N C 0.776 176.428 175.510 0.237 0.000 1.046 259 N CA 0.719 53.977 53.050 0.348 0.000 0.904 259 N CB 0.017 38.681 38.487 0.294 0.000 0.964 259 N HN 0.063 nan 8.380 nan 0.000 0.444 260 F N -0.060 119.991 119.950 0.167 0.000 2.728 260 F HA 0.373 4.911 4.527 0.018 0.000 0.314 260 F C 1.509 177.320 175.800 0.018 0.000 1.094 260 F CA 0.107 58.168 58.000 0.101 0.000 1.217 260 F CB 0.824 39.785 39.000 -0.064 0.000 1.056 260 F HN 0.107 nan 8.300 nan 0.000 0.577 261 G N 1.411 110.243 108.800 0.053 0.000 2.221 261 G HA2 -0.306 3.668 3.960 0.022 0.000 0.265 261 G HA3 -0.306 3.668 3.960 0.022 0.000 0.265 261 G C 0.533 175.421 174.900 -0.020 0.000 1.041 261 G CA 0.342 45.416 45.100 -0.044 0.000 0.807 261 G HN 0.403 nan 8.290 nan 0.000 0.502 262 L N -0.476 120.689 121.223 -0.097 0.000 2.791 262 L HA 0.274 4.627 4.340 0.022 0.000 0.239 262 L C 2.217 179.094 176.870 0.010 0.000 1.203 262 L CA -0.782 54.059 54.840 0.001 0.000 1.002 262 L CB -0.371 41.685 42.059 -0.004 0.000 1.295 262 L HN 0.305 nan 8.230 nan 0.000 0.504 263 Y N 1.248 121.605 120.300 0.095 0.000 1.980 263 Y HA -0.439 4.123 4.550 0.020 0.000 0.249 263 Y C 2.475 178.403 175.900 0.047 0.000 1.215 263 Y CA 2.263 60.407 58.100 0.073 0.000 1.075 263 Y CB -0.852 37.656 38.460 0.081 0.000 0.894 263 Y HN 0.566 nan 8.280 nan 0.000 0.503 264 N N -0.259 118.575 118.700 0.223 0.000 2.521 264 N HA -0.096 4.658 4.740 0.022 0.000 0.188 264 N C 0.754 176.304 175.510 0.067 0.000 1.146 264 N CA 1.028 54.148 53.050 0.117 0.000 0.893 264 N CB -0.367 38.171 38.487 0.085 0.000 0.975 264 N HN 0.420 nan 8.380 nan 0.000 0.451 265 E N 0.568 120.807 120.200 0.065 0.000 2.474 265 E HA 0.049 4.413 4.350 0.022 0.000 0.194 265 E C -0.255 176.338 176.600 -0.011 0.000 1.041 265 E CA -0.055 56.368 56.400 0.037 0.000 0.874 265 E CB 0.080 29.818 29.700 0.064 0.000 0.914 265 E HN 0.168 nan 8.360 nan 0.000 0.498 266 R N 0.021 120.517 120.500 -0.006 0.000 2.877 266 R HA -0.138 4.215 4.340 0.022 0.000 0.275 266 R C -0.409 175.851 176.300 -0.067 0.000 0.924 266 R CA 0.252 56.332 56.100 -0.034 0.000 0.715 266 R CB -2.893 27.370 30.300 -0.062 0.000 1.761 266 R HN 0.112 nan 8.270 nan 0.000 0.498 267 V N 0.485 120.380 119.914 -0.033 0.000 2.443 267 V HA 0.929 5.062 4.120 0.022 0.000 0.293 267 V C 0.399 176.593 176.094 0.167 0.000 1.021 267 V CA 0.528 62.820 62.300 -0.013 0.000 0.848 267 V CB 1.856 33.614 31.823 -0.108 0.000 0.998 267 V HN 0.835 nan 8.190 nan 0.000 0.424 268 G N 4.256 113.180 108.800 0.207 0.000 2.682 268 G HA2 0.957 4.930 3.960 0.022 0.000 0.303 268 G HA3 0.957 4.930 3.960 0.022 0.000 0.303 268 G C -1.170 173.919 174.900 0.315 0.000 1.341 268 G CA -0.226 45.010 45.100 0.228 0.000 0.784 268 G HN 1.691 nan 8.290 nan 0.000 0.497 269 A N -1.727 121.216 122.820 0.206 0.000 2.572 269 A HA 0.658 4.991 4.320 0.022 0.000 0.295 269 A C -1.222 176.451 177.584 0.149 0.000 1.072 269 A CA -0.298 51.880 52.037 0.235 0.000 0.691 269 A CB 1.459 20.608 19.000 0.248 0.000 1.291 269 A HN 1.848 nan 8.150 nan 0.000 0.404 270 C N 1.748 121.152 119.300 0.174 0.000 2.293 270 C HA 0.774 5.247 4.460 0.022 0.000 0.323 270 C C -0.037 175.047 174.990 0.156 0.000 1.240 270 C CA 0.013 59.127 59.018 0.161 0.000 1.497 270 C CB -0.471 27.372 27.740 0.173 0.000 2.171 270 C HN 0.781 nan 8.230 nan 0.000 0.465 271 T N 7.150 121.782 114.554 0.129 0.000 2.758 271 T HA 0.375 4.739 4.350 0.022 0.000 0.285 271 T C -0.403 174.371 174.700 0.122 0.000 0.981 271 T CA -0.176 61.991 62.100 0.112 0.000 0.965 271 T CB 0.839 69.788 68.868 0.134 0.000 0.927 271 T HN 0.616 nan 8.240 nan 0.000 0.448 272 L N 4.435 125.689 121.223 0.052 0.000 2.275 272 L HA 0.575 4.928 4.340 0.022 0.000 0.288 272 L C -0.772 176.114 176.870 0.028 0.000 1.046 272 L CA -0.719 54.149 54.840 0.048 0.000 0.805 272 L CB 1.219 43.276 42.059 -0.002 0.000 1.193 272 L HN 0.384 nan 8.230 nan 0.000 0.426 273 V N 4.266 124.222 119.914 0.069 0.000 2.448 273 V HA 0.677 4.810 4.120 0.022 0.000 0.295 273 V C 0.241 176.365 176.094 0.051 0.000 1.025 273 V CA -0.448 61.862 62.300 0.017 0.000 0.859 273 V CB 1.468 33.280 31.823 -0.018 0.000 0.988 273 V HN 0.892 nan 8.190 nan 0.000 0.431 274 A N 3.592 126.429 122.820 0.028 0.000 2.344 274 A HA 0.907 5.240 4.320 0.022 0.000 0.307 274 A C 1.251 178.854 177.584 0.032 0.000 1.151 274 A CA 0.075 52.146 52.037 0.057 0.000 0.842 274 A CB 1.289 20.330 19.000 0.067 0.000 1.350 274 A HN 1.116 nan 8.150 nan 0.000 0.459 275 A N -0.361 122.485 122.820 0.043 0.000 1.908 275 A HA 0.154 4.487 4.320 0.022 0.000 0.218 275 A C 0.625 178.213 177.584 0.008 0.000 1.181 275 A CA 2.447 54.499 52.037 0.026 0.000 0.627 275 A CB -0.785 18.234 19.000 0.031 0.000 0.818 275 A HN 1.069 nan 8.150 nan 0.000 0.445 276 D N -4.848 115.558 120.400 0.011 0.000 2.643 276 D HA 0.386 5.039 4.640 0.022 0.000 0.283 276 D C 0.566 176.868 176.300 0.003 0.000 1.242 276 D CA 0.093 54.094 54.000 0.001 0.000 0.863 276 D CB 0.544 41.347 40.800 0.005 0.000 1.382 276 D HN -0.119 nan 8.370 nan 0.000 0.444 277 S N -0.860 114.838 115.700 -0.003 0.000 2.359 277 S HA -0.257 4.226 4.470 0.022 0.000 0.224 277 S C 1.543 176.152 174.600 0.014 0.000 1.035 277 S CA 1.756 59.954 58.200 -0.003 0.000 1.018 277 S CB -0.525 62.672 63.200 -0.005 0.000 0.876 277 S HN 0.509 nan 8.310 nan 0.000 0.448 278 E N 0.149 120.361 120.200 0.020 0.000 2.058 278 E HA -0.150 4.214 4.350 0.022 0.000 0.194 278 E C 2.196 178.823 176.600 0.046 0.000 0.997 278 E CA 1.764 58.183 56.400 0.031 0.000 0.801 278 E CB -0.767 28.950 29.700 0.027 0.000 0.746 278 E HN 0.641 nan 8.360 nan 0.000 0.450 279 T N -0.337 114.245 114.554 0.047 0.000 2.896 279 T HA -0.049 4.314 4.350 0.022 0.000 0.263 279 T C 1.943 176.694 174.700 0.084 0.000 1.050 279 T CA 1.223 63.363 62.100 0.067 0.000 1.140 279 T CB -0.175 68.732 68.868 0.065 0.000 0.877 279 T HN 0.046 nan 8.240 nan 0.000 0.457 280 V N 1.451 121.402 119.914 0.061 0.000 2.427 280 V HA -0.094 4.040 4.120 0.022 0.000 0.248 280 V C 2.097 178.245 176.094 0.089 0.000 1.051 280 V CA 2.478 64.812 62.300 0.057 0.000 1.048 280 V CB -0.604 31.215 31.823 -0.007 0.000 0.666 280 V HN 0.486 nan 8.190 nan 0.000 0.456 281 D N -0.467 119.982 120.400 0.081 0.000 2.144 281 D HA -0.146 4.508 4.640 0.022 0.000 0.200 281 D C 2.289 178.681 176.300 0.153 0.000 0.978 281 D CA 1.221 55.294 54.000 0.122 0.000 0.833 281 D CB -0.223 40.626 40.800 0.081 0.000 0.961 281 D HN 0.397 nan 8.370 nan 0.000 0.470 282 R N 0.228 120.803 120.500 0.124 0.000 2.090 282 R HA 0.039 4.392 4.340 0.022 0.000 0.228 282 R C 2.028 178.424 176.300 0.161 0.000 1.110 282 R CA 1.104 57.277 56.100 0.121 0.000 0.973 282 R CB 0.015 30.373 30.300 0.097 0.000 0.869 282 R HN 0.087 nan 8.270 nan 0.000 0.440 283 A N 0.046 122.985 122.820 0.199 0.000 1.929 283 A HA -0.138 4.195 4.320 0.022 0.000 0.216 283 A C 1.860 179.576 177.584 0.220 0.000 1.176 283 A CA 0.782 52.992 52.037 0.290 0.000 0.628 283 A CB -0.620 18.577 19.000 0.328 0.000 0.816 283 A HN 0.429 nan 8.150 nan 0.000 0.444 284 F N 2.117 122.056 119.950 -0.017 0.000 2.216 284 F HA -0.179 4.360 4.527 0.021 0.000 0.300 284 F C 2.740 178.521 175.800 -0.031 0.000 1.085 284 F CA 1.478 59.428 58.000 -0.083 0.000 1.326 284 F CB -0.344 38.627 39.000 -0.047 0.000 1.027 284 F HN 0.341 nan 8.300 nan 0.000 0.497 285 S N -0.783 114.938 115.700 0.036 0.000 2.399 285 S HA -0.206 4.278 4.470 0.022 0.000 0.231 285 S C 1.836 176.404 174.600 -0.053 0.000 1.022 285 S CA 1.011 59.184 58.200 -0.045 0.000 0.983 285 S CB -0.532 62.687 63.200 0.032 0.000 0.803 285 S HN 0.455 nan 8.310 nan 0.000 0.480 286 Q N 0.347 120.178 119.800 0.051 0.000 2.245 286 Q HA 0.199 4.552 4.340 0.022 0.000 0.201 286 Q C 2.037 178.112 176.000 0.125 0.000 0.955 286 Q CA 0.893 56.773 55.803 0.130 0.000 0.870 286 Q CB -0.340 28.564 28.738 0.276 0.000 0.945 286 Q HN 0.741 nan 8.270 nan 0.000 0.461 287 M N 0.213 119.781 119.600 -0.054 0.000 2.254 287 M HA -0.115 4.379 4.480 0.022 0.000 0.265 287 M C 1.530 177.666 176.300 -0.274 0.000 1.066 287 M CA 1.343 56.514 55.300 -0.215 0.000 1.123 287 M CB 0.198 32.502 32.600 -0.494 0.000 1.388 287 M HN -0.072 nan 8.290 nan 0.000 0.425 288 K N 0.072 120.229 120.400 -0.405 0.000 2.155 288 K HA 0.028 4.361 4.320 0.022 0.000 0.203 288 K C 1.900 178.372 176.600 -0.213 0.000 1.052 288 K CA 1.095 57.159 56.287 -0.372 0.000 0.948 288 K CB -0.115 32.127 32.500 -0.430 0.000 0.728 288 K HN 0.411 nan 8.250 nan 0.000 0.448 289 A N 1.201 123.938 122.820 -0.137 0.000 1.969 289 A HA -0.057 4.276 4.320 0.022 0.000 0.218 289 A C 2.283 179.819 177.584 -0.080 0.000 1.169 289 A CA 1.636 53.621 52.037 -0.087 0.000 0.635 289 A CB -0.508 18.471 19.000 -0.035 0.000 0.810 289 A HN 0.307 nan 8.150 nan 0.000 0.445 290 A N -0.115 122.673 122.820 -0.053 0.000 1.930 290 A HA -0.016 4.317 4.320 0.022 0.000 0.217 290 A C 2.062 179.575 177.584 -0.119 0.000 1.175 290 A CA 1.434 53.454 52.037 -0.028 0.000 0.627 290 A CB -0.499 18.541 19.000 0.067 0.000 0.815 290 A HN 0.482 nan 8.150 nan 0.000 0.443 291 I N -1.291 119.157 120.570 -0.203 0.000 2.286 291 I HA -0.163 4.021 4.170 0.022 0.000 0.245 291 I C 2.645 178.477 176.117 -0.476 0.000 1.104 291 I CA 1.103 62.154 61.300 -0.415 0.000 1.397 291 I CB -0.259 37.517 38.000 -0.373 0.000 1.072 291 I HN 0.299 nan 8.210 nan 0.000 0.417 292 R N 1.216 121.539 120.500 -0.294 0.000 2.096 292 R HA -0.152 4.201 4.340 0.022 0.000 0.235 292 R C 2.067 178.253 176.300 -0.190 0.000 1.127 292 R CA 1.589 57.548 56.100 -0.235 0.000 0.968 292 R CB -0.142 30.059 30.300 -0.166 0.000 0.861 292 R HN 0.367 nan 8.270 nan 0.000 0.440 293 A N 0.203 122.930 122.820 -0.155 0.000 2.208 293 A HA -0.043 4.290 4.320 0.022 0.000 0.209 293 A C 1.465 178.993 177.584 -0.093 0.000 1.161 293 A CA 0.537 52.514 52.037 -0.099 0.000 0.782 293 A CB -0.198 18.765 19.000 -0.062 0.000 0.816 293 A HN 0.324 nan 8.150 nan 0.000 0.477 294 N N -0.538 118.064 118.700 -0.162 0.000 2.531 294 N HA 0.019 4.773 4.740 0.022 0.000 0.223 294 N C 1.122 176.608 175.510 -0.040 0.000 1.023 294 N CA 1.650 54.645 53.050 -0.092 0.000 1.124 294 N CB -0.124 38.315 38.487 -0.080 0.000 1.427 294 N HN 0.461 nan 8.380 nan 0.000 0.558 295 Y N -2.023 118.271 120.300 -0.010 0.000 2.500 295 Y HA 0.605 5.169 4.550 0.023 0.000 0.246 295 Y C 1.326 177.216 175.900 -0.017 0.000 1.146 295 Y CA 0.164 58.259 58.100 -0.008 0.000 1.230 295 Y CB 0.153 38.613 38.460 -0.001 0.000 1.214 295 Y HN 0.057 nan 8.280 nan 0.000 0.526 296 S N 0.496 116.039 115.700 -0.263 0.000 1.586 296 S HA -0.275 4.209 4.470 0.022 0.000 0.250 296 S C -0.210 174.295 174.600 -0.157 0.000 0.736 296 S CA 1.647 59.736 58.200 -0.186 0.000 1.433 296 S CB -1.667 61.471 63.200 -0.103 0.000 1.058 296 S HN 0.944 nan 8.310 nan 0.000 0.494 297 N N 1.663 120.391 118.700 0.047 0.000 2.708 297 N HA 0.714 5.467 4.740 0.022 0.000 0.257 297 N C -3.338 172.361 175.510 0.315 0.000 1.373 297 N CA -1.420 51.706 53.050 0.126 0.000 0.843 297 N CB 1.556 40.080 38.487 0.062 0.000 1.503 297 N HN 0.316 nan 8.380 nan 0.000 0.504 298 P HA 0.392 nan 4.420 nan 0.000 0.281 298 P C -2.691 174.613 177.300 0.006 0.000 1.264 298 P CA -1.464 61.693 63.100 0.095 0.000 0.824 298 P CB 0.322 32.042 31.700 0.033 0.000 1.092 299 P HA 0.104 nan 4.420 nan 0.000 0.276 299 P C 0.497 177.739 177.300 -0.096 0.000 1.264 299 P CA 0.031 63.095 63.100 -0.061 0.000 0.769 299 P CB 0.638 32.294 31.700 -0.075 0.000 0.840 300 A N 3.696 126.479 122.820 -0.062 0.000 1.898 300 A HA -0.231 4.102 4.320 0.022 0.000 0.216 300 A C 2.136 179.657 177.584 -0.105 0.000 1.181 300 A CA 1.744 53.726 52.037 -0.092 0.000 0.620 300 A CB -1.653 17.318 19.000 -0.049 0.000 0.819 300 A HN 0.646 nan 8.150 nan 0.000 0.442 301 H N -0.304 118.695 119.070 -0.118 0.000 2.261 301 H HA -0.167 4.389 4.556 -0.000 0.000 0.290 301 H C 2.226 177.471 175.328 -0.138 0.000 1.081 301 H CA 2.705 58.688 56.048 -0.107 0.000 1.196 301 H CB -0.696 29.020 29.762 -0.078 0.000 1.350 301 H HN 0.347 nan 8.280 nan 0.000 0.498 302 G N -0.663 108.034 108.800 -0.171 0.000 2.422 302 G HA2 -0.228 3.745 3.960 0.022 0.000 0.218 302 G HA3 -0.228 3.745 3.960 0.022 0.000 0.218 302 G C 1.847 176.523 174.900 -0.372 0.000 1.146 302 G CA 0.997 45.948 45.100 -0.249 0.000 0.769 302 G HN 0.658 nan 8.290 nan 0.000 0.547 303 A N 0.453 123.015 122.820 -0.430 0.000 1.929 303 A HA 0.119 4.453 4.320 0.022 0.000 0.216 303 A C 2.671 180.007 177.584 -0.414 0.000 1.176 303 A CA 2.009 53.651 52.037 -0.658 0.000 0.628 303 A CB -0.473 17.917 19.000 -1.016 0.000 0.816 303 A HN 0.287 nan 8.150 nan 0.000 0.444 304 S N -0.413 115.092 115.700 -0.325 0.000 2.368 304 S HA -0.126 4.358 4.470 0.022 0.000 0.225 304 S C 1.923 176.383 174.600 -0.233 0.000 1.030 304 S CA 1.406 59.474 58.200 -0.220 0.000 0.999 304 S CB -0.391 62.699 63.200 -0.183 0.000 0.844 304 S HN 0.345 nan 8.310 nan 0.000 0.459 305 V N 1.449 121.163 119.914 -0.333 0.000 2.287 305 V HA -0.160 3.974 4.120 0.022 0.000 0.248 305 V C 2.290 178.184 176.094 -0.333 0.000 1.053 305 V CA 1.570 63.689 62.300 -0.303 0.000 1.027 305 V CB -0.730 30.891 31.823 -0.336 0.000 0.646 305 V HN 0.338 nan 8.190 nan 0.000 0.447 306 V N 0.198 119.816 119.914 -0.494 0.000 2.343 306 V HA -0.244 3.889 4.120 0.022 0.000 0.247 306 V C 2.691 178.506 176.094 -0.465 0.000 1.051 306 V CA 1.989 63.818 62.300 -0.786 0.000 1.036 306 V CB -1.142 30.003 31.823 -1.131 0.000 0.654 306 V HN 0.564 nan 8.190 nan 0.000 0.451 307 A N 0.399 123.082 122.820 -0.228 0.000 1.933 307 A HA -0.250 4.084 4.320 0.022 0.000 0.218 307 A C 2.519 180.020 177.584 -0.137 0.000 1.175 307 A CA 2.570 54.528 52.037 -0.132 0.000 0.628 307 A CB -0.939 18.053 19.000 -0.014 0.000 0.814 307 A HN 0.609 nan 8.150 nan 0.000 0.444 308 T N -1.821 112.650 114.554 -0.138 0.000 2.951 308 T HA 0.007 4.371 4.350 0.022 0.000 0.268 308 T C 1.797 176.403 174.700 -0.157 0.000 1.073 308 T CA 1.296 63.313 62.100 -0.139 0.000 1.134 308 T CB -0.456 68.334 68.868 -0.131 0.000 0.884 308 T HN 0.340 nan 8.240 nan 0.000 0.479 309 I N 0.650 121.129 120.570 -0.151 0.000 2.193 309 I HA -0.006 4.177 4.170 0.022 0.000 0.240 309 I C 2.501 178.568 176.117 -0.084 0.000 1.084 309 I CA 1.150 62.390 61.300 -0.099 0.000 1.365 309 I CB -0.258 37.703 38.000 -0.066 0.000 1.064 309 I HN 0.220 nan 8.210 nan 0.000 0.410 310 L N 0.389 121.528 121.223 -0.139 0.000 2.191 310 L HA -0.159 4.194 4.340 0.022 0.000 0.212 310 L C 2.483 179.313 176.870 -0.066 0.000 1.103 310 L CA 1.430 56.210 54.840 -0.101 0.000 0.769 310 L CB -0.582 41.373 42.059 -0.173 0.000 0.908 310 L HN 0.380 nan 8.230 nan 0.000 0.438 311 S N -1.761 113.888 115.700 -0.084 0.000 2.548 311 S HA 0.007 4.490 4.470 0.022 0.000 0.215 311 S C 0.670 175.233 174.600 -0.061 0.000 0.976 311 S CA -0.330 57.831 58.200 -0.065 0.000 0.908 311 S CB -0.226 62.934 63.200 -0.065 0.000 0.781 311 S HN 0.367 nan 8.310 nan 0.000 0.519 312 N N 1.189 119.848 118.700 -0.068 0.000 2.372 312 N HA 0.311 5.064 4.740 0.022 0.000 0.285 312 N C -0.126 175.366 175.510 -0.031 0.000 1.008 312 N CA -0.454 52.556 53.050 -0.068 0.000 0.880 312 N CB 1.732 40.148 38.487 -0.119 0.000 1.239 312 N HN -0.163 nan 8.380 nan 0.000 0.484 313 D N 2.346 122.732 120.400 -0.023 0.000 2.092 313 D HA -0.151 4.502 4.640 0.022 0.000 0.193 313 D C 1.471 177.770 176.300 -0.002 0.000 0.994 313 D CA 1.801 55.797 54.000 -0.007 0.000 0.828 313 D CB -0.288 40.505 40.800 -0.011 0.000 0.963 313 D HN 0.687 nan 8.370 nan 0.000 0.450 314 A N 0.744 123.555 122.820 -0.015 0.000 1.845 314 A HA -0.157 4.177 4.320 0.022 0.000 0.215 314 A C 2.188 179.773 177.584 0.001 0.000 1.195 314 A CA 1.093 53.123 52.037 -0.012 0.000 0.616 314 A CB -0.819 18.168 19.000 -0.022 0.000 0.832 314 A HN 0.151 nan 8.150 nan 0.000 0.443 315 L N -0.314 120.904 121.223 -0.008 0.000 2.046 315 L HA -0.094 4.260 4.340 0.022 0.000 0.208 315 L C 2.561 179.483 176.870 0.087 0.000 1.077 315 L CA 2.050 56.900 54.840 0.016 0.000 0.747 315 L CB -0.898 41.142 42.059 -0.031 0.000 0.896 315 L HN 0.493 nan 8.230 nan 0.000 0.432 316 R N -0.826 119.728 120.500 0.091 0.000 2.096 316 R HA -0.143 4.210 4.340 0.022 0.000 0.235 316 R C 2.136 178.546 176.300 0.183 0.000 1.127 316 R CA 1.251 57.475 56.100 0.207 0.000 0.968 316 R CB -0.102 30.292 30.300 0.157 0.000 0.861 316 R HN 0.362 nan 8.270 nan 0.000 0.440 317 A N 0.988 123.849 122.820 0.069 0.000 1.902 317 A HA -0.120 4.213 4.320 0.022 0.000 0.217 317 A C 2.101 179.671 177.584 -0.023 0.000 1.181 317 A CA 1.226 53.266 52.037 0.004 0.000 0.623 317 A CB -0.389 18.606 19.000 -0.009 0.000 0.818 317 A HN 0.331 nan 8.150 nan 0.000 0.443 318 I N -2.359 118.219 120.570 0.013 0.000 2.252 318 I HA -0.235 3.948 4.170 0.022 0.000 0.245 318 I C 2.407 178.514 176.117 -0.016 0.000 1.102 318 I CA 1.434 62.732 61.300 -0.003 0.000 1.385 318 I CB -0.350 37.663 38.000 0.022 0.000 1.064 318 I HN 0.733 nan 8.210 nan 0.000 0.414 319 W N 2.442 123.668 121.300 -0.122 0.000 2.355 319 W HA -0.195 4.478 4.660 0.023 0.000 0.309 319 W C 2.290 178.664 176.519 -0.240 0.000 1.206 319 W CA 1.501 58.728 57.345 -0.197 0.000 1.284 319 W CB -0.338 28.984 29.460 -0.231 0.000 1.145 319 W HN 0.061 nan 8.180 nan 0.000 0.502 320 E N -0.265 119.529 120.200 -0.676 0.000 2.110 320 E HA -0.314 4.049 4.350 0.022 0.000 0.193 320 E C 2.022 178.265 176.600 -0.595 0.000 0.988 320 E CA 1.562 57.424 56.400 -0.896 0.000 0.804 320 E CB -0.316 29.084 29.700 -0.500 0.000 0.745 320 E HN 0.220 nan 8.360 nan 0.000 0.458 321 Q N 1.220 120.802 119.800 -0.363 0.000 2.079 321 Q HA -0.162 4.191 4.340 0.022 0.000 0.200 321 Q C 1.537 177.367 176.000 -0.285 0.000 0.974 321 Q CA 1.524 57.169 55.803 -0.262 0.000 0.840 321 Q CB 0.045 28.688 28.738 -0.158 0.000 0.898 321 Q HN 0.288 nan 8.270 nan 0.000 0.430 322 E N -0.568 119.450 120.200 -0.304 0.000 2.150 322 E HA -0.162 4.202 4.350 0.022 0.000 0.193 322 E C 1.742 178.112 176.600 -0.383 0.000 0.985 322 E CA 0.892 57.135 56.400 -0.261 0.000 0.814 322 E CB -0.100 29.500 29.700 -0.165 0.000 0.752 322 E HN 0.260 nan 8.360 nan 0.000 0.466 323 L N 0.932 121.787 121.223 -0.614 0.000 2.095 323 L HA -0.102 4.251 4.340 0.022 0.000 0.204 323 L C 2.575 179.100 176.870 -0.574 0.000 1.080 323 L CA 2.158 56.573 54.840 -0.708 0.000 0.759 323 L CB -0.777 40.678 42.059 -1.006 0.000 0.914 323 L HN 0.104 nan 8.230 nan 0.000 0.439 324 T N -2.938 111.337 114.554 -0.464 0.000 2.867 324 T HA -0.168 4.196 4.350 0.022 0.000 0.268 324 T C 1.668 176.224 174.700 -0.241 0.000 1.057 324 T CA 1.461 63.365 62.100 -0.327 0.000 1.136 324 T CB -0.490 68.225 68.868 -0.254 0.000 0.874 324 T HN 0.344 nan 8.240 nan 0.000 0.466 325 D N 0.954 121.221 120.400 -0.222 0.000 2.117 325 D HA -0.027 4.626 4.640 0.022 0.000 0.197 325 D C 2.134 178.373 176.300 -0.101 0.000 0.987 325 D CA 1.292 55.215 54.000 -0.129 0.000 0.829 325 D CB -0.345 40.395 40.800 -0.101 0.000 0.961 325 D HN 0.494 nan 8.370 nan 0.000 0.460 326 M N -0.199 119.272 119.600 -0.214 0.000 2.132 326 M HA -0.100 4.393 4.480 0.022 0.000 0.263 326 M C 2.326 178.575 176.300 -0.086 0.000 1.065 326 M CA 1.047 56.206 55.300 -0.235 0.000 1.122 326 M CB -0.121 32.085 32.600 -0.657 0.000 1.365 326 M HN -0.105 nan 8.290 nan 0.000 0.411 327 R N 0.554 120.913 120.500 -0.234 0.000 2.083 327 R HA -0.196 4.158 4.340 0.022 0.000 0.237 327 R C 2.063 178.353 176.300 -0.016 0.000 1.137 327 R CA 1.858 57.885 56.100 -0.122 0.000 0.951 327 R CB -0.141 30.023 30.300 -0.228 0.000 0.851 327 R HN 0.448 nan 8.270 nan 0.000 0.434 328 Q N -0.394 119.381 119.800 -0.041 0.000 2.119 328 Q HA -0.183 4.171 4.340 0.022 0.000 0.201 328 Q C 2.209 178.228 176.000 0.032 0.000 0.972 328 Q CA 1.671 57.469 55.803 -0.009 0.000 0.847 328 Q CB -0.078 28.642 28.738 -0.029 0.000 0.903 328 Q HN 0.309 nan 8.270 nan 0.000 0.433 329 R N 0.857 121.397 120.500 0.066 0.000 2.070 329 R HA -0.140 4.213 4.340 0.022 0.000 0.233 329 R C 2.032 178.392 176.300 0.101 0.000 1.137 329 R CA 1.410 57.570 56.100 0.099 0.000 0.945 329 R CB -0.295 30.111 30.300 0.177 0.000 0.845 329 R HN 0.203 nan 8.270 nan 0.000 0.430 330 I N 0.916 121.578 120.570 0.154 0.000 2.335 330 I HA -0.293 3.890 4.170 0.022 0.000 0.251 330 I C 2.265 178.420 176.117 0.062 0.000 1.129 330 I CA 1.462 62.834 61.300 0.119 0.000 1.402 330 I CB -0.180 37.930 38.000 0.184 0.000 1.069 330 I HN 0.408 nan 8.210 nan 0.000 0.424 331 Q N -0.270 119.566 119.800 0.060 0.000 2.269 331 Q HA -0.118 4.235 4.340 0.022 0.000 0.201 331 Q C 2.256 178.278 176.000 0.037 0.000 0.946 331 Q CA 0.675 56.504 55.803 0.044 0.000 0.877 331 Q CB 0.054 28.814 28.738 0.036 0.000 0.963 331 Q HN 0.335 nan 8.270 nan 0.000 0.472 332 R N 0.183 120.704 120.500 0.036 0.000 2.066 332 R HA -0.028 4.325 4.340 0.022 0.000 0.232 332 R C 2.106 178.427 176.300 0.034 0.000 1.131 332 R CA 1.266 57.384 56.100 0.031 0.000 0.955 332 R CB 0.045 30.362 30.300 0.028 0.000 0.851 332 R HN 0.167 nan 8.270 nan 0.000 0.432 333 M N 0.239 119.857 119.600 0.030 0.000 2.213 333 M HA -0.115 4.378 4.480 0.022 0.000 0.263 333 M C 1.889 178.220 176.300 0.052 0.000 1.062 333 M CA 1.576 56.892 55.300 0.026 0.000 1.105 333 M CB -0.705 31.887 32.600 -0.014 0.000 1.385 333 M HN 0.126 nan 8.290 nan 0.000 0.417 334 R N -0.265 120.261 120.500 0.043 0.000 2.092 334 R HA -0.143 4.210 4.340 0.022 0.000 0.231 334 R C 2.223 178.587 176.300 0.107 0.000 1.119 334 R CA 1.159 57.303 56.100 0.072 0.000 0.970 334 R CB -0.302 30.027 30.300 0.048 0.000 0.864 334 R HN 0.390 nan 8.270 nan 0.000 0.440 335 Q N 0.738 120.578 119.800 0.067 0.000 2.016 335 Q HA -0.029 4.324 4.340 0.022 0.000 0.200 335 Q C 2.133 178.161 176.000 0.046 0.000 0.978 335 Q CA 1.058 56.889 55.803 0.047 0.000 0.833 335 Q CB -0.133 28.623 28.738 0.030 0.000 0.895 335 Q HN 0.249 nan 8.270 nan 0.000 0.427 336 L N -0.372 120.884 121.223 0.056 0.000 2.042 336 L HA -0.214 4.139 4.340 0.022 0.000 0.210 336 L C 2.140 179.049 176.870 0.064 0.000 1.076 336 L CA 1.295 56.163 54.840 0.047 0.000 0.749 336 L CB -0.307 41.782 42.059 0.049 0.000 0.893 336 L HN 0.311 nan 8.230 nan 0.000 0.432 337 F N 0.015 119.927 119.950 -0.064 0.000 2.051 337 F HA -0.227 4.314 4.527 0.023 0.000 0.296 337 F C 2.276 178.010 175.800 -0.109 0.000 1.122 337 F CA 1.880 59.821 58.000 -0.098 0.000 1.201 337 F CB -0.648 38.288 39.000 -0.107 0.000 0.978 337 F HN -0.221 nan 8.300 nan 0.000 0.472 338 V N 2.270 122.115 119.914 -0.116 0.000 2.252 338 V HA -0.407 3.726 4.120 0.022 0.000 0.249 338 V C 2.102 178.087 176.094 -0.182 0.000 1.056 338 V CA 2.499 64.681 62.300 -0.197 0.000 1.022 338 V CB -1.221 30.567 31.823 -0.058 0.000 0.641 338 V HN 0.629 nan 8.190 nan 0.000 0.445 339 N N -1.109 117.528 118.700 -0.105 0.000 2.422 339 N HA -0.086 4.668 4.740 0.022 0.000 0.181 339 N C 1.462 176.913 175.510 -0.099 0.000 1.080 339 N CA 1.154 54.153 53.050 -0.085 0.000 0.893 339 N CB -0.114 38.346 38.487 -0.044 0.000 0.973 339 N HN 0.405 nan 8.380 nan 0.000 0.456 340 T N 1.315 115.796 114.554 -0.123 0.000 3.023 340 T HA 0.152 4.515 4.350 0.022 0.000 0.266 340 T C 1.894 176.492 174.700 -0.169 0.000 1.093 340 T CA 0.206 62.239 62.100 -0.111 0.000 1.129 340 T CB 0.070 68.892 68.868 -0.077 0.000 0.899 340 T HN 0.163 nan 8.240 nan 0.000 0.491 341 L N 0.344 121.399 121.223 -0.280 0.000 2.240 341 L HA -0.011 4.343 4.340 0.022 0.000 0.211 341 L C 2.687 179.461 176.870 -0.161 0.000 1.106 341 L CA 1.015 55.666 54.840 -0.315 0.000 0.793 341 L CB -0.221 41.501 42.059 -0.563 0.000 0.927 341 L HN 0.220 nan 8.230 nan 0.000 0.446 342 Q N 0.024 119.752 119.800 -0.121 0.000 2.083 342 Q HA -0.188 4.165 4.340 0.022 0.000 0.198 342 Q C 1.889 177.858 176.000 -0.052 0.000 0.969 342 Q CA 1.328 57.093 55.803 -0.062 0.000 0.838 342 Q CB 0.131 28.839 28.738 -0.050 0.000 0.900 342 Q HN 0.407 nan 8.270 nan 0.000 0.436 343 E N -0.174 119.991 120.200 -0.058 0.000 2.409 343 E HA -0.132 4.231 4.350 0.022 0.000 0.198 343 E C 1.115 177.689 176.600 -0.043 0.000 1.024 343 E CA 0.518 56.892 56.400 -0.043 0.000 0.861 343 E CB 0.227 29.903 29.700 -0.040 0.000 0.788 343 E HN 0.075 nan 8.360 nan 0.000 0.521 344 K N -0.120 120.245 120.400 -0.059 0.000 2.393 344 K HA 0.092 4.425 4.320 0.022 0.000 0.193 344 K C 0.519 177.096 176.600 -0.037 0.000 1.026 344 K CA 0.496 56.751 56.287 -0.054 0.000 1.064 344 K CB 0.419 32.870 32.500 -0.082 0.000 0.833 344 K HN 0.163 nan 8.250 nan 0.000 0.521 345 G N 1.608 110.389 108.800 -0.031 0.000 2.905 345 G HA2 0.022 3.995 3.960 0.022 0.000 0.209 345 G HA3 0.022 3.995 3.960 0.022 0.000 0.209 345 G C -0.391 174.508 174.900 -0.003 0.000 0.658 345 G CA 0.174 45.266 45.100 -0.014 0.000 0.826 345 G HN 0.490 nan 8.290 nan 0.000 0.359 346 A N 3.360 126.187 122.820 0.010 0.000 2.583 346 A HA 0.645 4.979 4.320 0.022 0.000 0.298 346 A C -0.137 177.469 177.584 0.037 0.000 1.055 346 A CA -0.631 51.423 52.037 0.027 0.000 0.714 346 A CB 0.759 19.782 19.000 0.039 0.000 1.277 346 A HN 0.869 nan 8.150 nan 0.000 0.406 347 N N 1.763 120.481 118.700 0.030 0.000 2.417 347 N HA 0.201 4.954 4.740 0.022 0.000 0.272 347 N C 0.449 175.974 175.510 0.025 0.000 1.304 347 N CA 1.085 54.147 53.050 0.020 0.000 0.906 347 N CB 0.109 38.605 38.487 0.015 0.000 1.135 347 N HN 0.803 nan 8.380 nan 0.000 0.483 348 R N 0.920 121.421 120.500 0.002 0.000 3.619 348 R HA 0.555 4.909 4.340 0.022 0.000 0.259 348 R C -1.449 174.774 176.300 -0.129 0.000 1.069 348 R CA -0.768 55.291 56.100 -0.068 0.000 0.900 348 R CB 1.018 31.397 30.300 0.132 0.000 1.600 348 R HN 0.201 nan 8.270 nan 0.000 0.410 349 D N -1.416 118.830 120.400 -0.258 0.000 3.473 349 D HA 0.107 4.760 4.640 0.022 0.000 0.121 349 D C -1.635 174.449 176.300 -0.360 0.000 0.842 349 D CA -0.134 53.765 54.000 -0.168 0.000 2.025 349 D CB -0.469 40.298 40.800 -0.055 0.000 0.569 349 D HN 0.454 nan 8.370 nan 0.000 0.909 350 F N 1.043 120.821 119.950 -0.287 0.000 2.660 350 F HA 0.159 4.699 4.527 0.022 0.000 0.297 350 F C 2.310 177.671 175.800 -0.732 0.000 1.132 350 F CA 0.367 57.928 58.000 -0.732 0.000 1.372 350 F CB 0.265 38.955 39.000 -0.517 0.000 1.003 350 F HN 0.288 nan 8.300 nan 0.000 0.524 351 S N 0.175 115.701 115.700 -0.291 0.000 2.423 351 S HA -0.254 4.230 4.470 0.022 0.000 0.231 351 S C 1.987 176.527 174.600 -0.100 0.000 1.014 351 S CA 0.990 59.112 58.200 -0.130 0.000 0.965 351 S CB -1.185 62.001 63.200 -0.023 0.000 0.785 351 S HN 0.501 nan 8.310 nan 0.000 0.495 352 F N 1.500 121.487 119.950 0.060 0.000 2.333 352 F HA 0.147 4.687 4.527 0.022 0.000 0.300 352 F C 1.803 177.674 175.800 0.118 0.000 1.083 352 F CA -0.132 57.917 58.000 0.082 0.000 1.395 352 F CB -0.854 38.193 39.000 0.077 0.000 1.056 352 F HN 0.099 nan 8.300 nan 0.000 0.529 353 I N 1.234 121.655 120.570 -0.248 0.000 2.264 353 I HA -0.246 3.937 4.170 0.022 0.000 0.248 353 I C 2.378 178.541 176.117 0.078 0.000 1.111 353 I CA 1.081 62.382 61.300 0.000 0.000 1.382 353 I CB -0.923 37.084 38.000 0.013 0.000 1.060 353 I HN 0.237 nan 8.210 nan 0.000 0.418 354 I N 0.871 121.471 120.570 0.049 0.000 2.614 354 I HA -0.186 3.998 4.170 0.022 0.000 0.258 354 I C 1.966 178.134 176.117 0.084 0.000 1.189 354 I CA 1.118 62.455 61.300 0.062 0.000 1.462 354 I CB -0.893 37.132 38.000 0.041 0.000 1.092 354 I HN 0.214 nan 8.210 nan 0.000 0.442 355 K N 0.586 121.057 120.400 0.117 0.000 2.393 355 K HA 0.167 4.500 4.320 0.022 0.000 0.193 355 K C 0.656 177.336 176.600 0.134 0.000 1.026 355 K CA 0.107 56.467 56.287 0.121 0.000 1.064 355 K CB 0.077 32.658 32.500 0.135 0.000 0.833 355 K HN 0.443 nan 8.250 nan 0.000 0.521 356 Q N 1.131 121.022 119.800 0.151 0.000 2.227 356 Q HA 0.249 4.602 4.340 0.022 0.000 0.245 356 Q C -0.383 175.684 176.000 0.112 0.000 0.926 356 Q CA -0.470 55.422 55.803 0.148 0.000 0.895 356 Q CB 0.995 29.843 28.738 0.182 0.000 1.230 356 Q HN 0.022 nan 8.270 nan 0.000 0.450 357 N N 0.188 118.955 118.700 0.111 0.000 2.319 357 N HA 0.638 5.392 4.740 0.022 0.000 0.305 357 N C -0.088 175.447 175.510 0.042 0.000 1.103 357 N CA 0.159 53.267 53.050 0.097 0.000 0.815 357 N CB 1.886 40.457 38.487 0.139 0.000 1.288 357 N HN 0.849 nan 8.380 nan 0.000 0.493 358 G N 0.197 109.006 108.800 0.015 0.000 2.582 358 G HA2 -0.222 3.752 3.960 0.022 0.000 0.222 358 G HA3 -0.222 3.752 3.960 0.022 0.000 0.222 358 G C 0.459 175.220 174.900 -0.232 0.000 1.311 358 G CA -0.180 44.840 45.100 -0.133 0.000 0.915 358 G HN 0.472 nan 8.290 nan 0.000 0.528 359 M N -0.412 118.869 119.600 -0.530 0.000 2.506 359 M HA 0.302 4.795 4.480 0.022 0.000 0.260 359 M C 0.273 176.111 176.300 -0.770 0.000 1.104 359 M CA 1.047 55.940 55.300 -0.679 0.000 1.112 359 M CB 0.070 32.088 32.600 -0.971 0.000 1.401 359 M HN 0.246 nan 8.290 nan 0.000 0.473 360 F N 0.198 120.039 119.950 -0.182 0.000 2.523 360 F HA 0.609 5.149 4.527 0.022 0.000 0.329 360 F C 0.421 176.157 175.800 -0.106 0.000 1.061 360 F CA -1.157 56.756 58.000 -0.145 0.000 0.967 360 F CB 1.571 40.473 39.000 -0.164 0.000 1.218 360 F HN -0.075 nan 8.300 nan 0.000 0.480 361 S N 0.242 116.028 115.700 0.144 0.000 2.614 361 S HA 0.544 5.028 4.470 0.022 0.000 0.280 361 S C -1.783 172.943 174.600 0.209 0.000 1.111 361 S CA -0.997 57.260 58.200 0.095 0.000 0.847 361 S CB 0.696 63.987 63.200 0.152 0.000 1.079 361 S HN 0.245 nan 8.310 nan 0.000 0.452 362 F N 3.169 123.187 119.950 0.112 0.000 2.424 362 F HA 0.406 4.946 4.527 0.022 0.000 0.356 362 F C 2.083 178.053 175.800 0.284 0.000 1.110 362 F CA -0.956 57.113 58.000 0.114 0.000 1.161 362 F CB 1.187 40.174 39.000 -0.023 0.000 1.115 362 F HN 0.885 nan 8.300 nan 0.000 0.507 363 S N 1.460 117.437 115.700 0.461 0.000 2.447 363 S HA 0.081 4.564 4.470 0.022 0.000 0.233 363 S C 1.711 176.677 174.600 0.610 0.000 1.006 363 S CA 0.611 59.112 58.200 0.503 0.000 0.957 363 S CB -0.437 62.956 63.200 0.322 0.000 0.773 363 S HN 1.211 nan 8.310 nan 0.000 0.507 364 G N 0.124 109.174 108.800 0.417 0.000 2.157 364 G HA2 -0.176 3.798 3.960 0.022 0.000 0.239 364 G HA3 -0.176 3.798 3.960 0.022 0.000 0.239 364 G C -0.233 174.825 174.900 0.263 0.000 0.982 364 G CA 0.044 45.357 45.100 0.355 0.000 0.650 364 G HN 0.417 nan 8.290 nan 0.000 0.527 365 L N 2.093 123.449 121.223 0.221 0.000 2.371 365 L HA 0.632 4.985 4.340 0.022 0.000 0.272 365 L C 1.533 178.442 176.870 0.065 0.000 1.124 365 L CA 0.150 55.079 54.840 0.149 0.000 0.816 365 L CB 1.044 43.182 42.059 0.131 0.000 1.129 365 L HN 0.436 nan 8.230 nan 0.000 0.448 366 T N -0.823 113.763 114.554 0.053 0.000 2.849 366 T HA 0.262 4.626 4.350 0.022 0.000 0.284 366 T C 1.088 175.793 174.700 0.007 0.000 1.004 366 T CA -0.439 61.672 62.100 0.019 0.000 1.021 366 T CB 0.579 69.462 68.868 0.025 0.000 1.013 366 T HN 0.679 nan 8.240 nan 0.000 0.527 367 K N 0.431 120.825 120.400 -0.009 0.000 2.209 367 K HA -0.106 4.227 4.320 0.022 0.000 0.204 367 K C 1.945 178.547 176.600 0.003 0.000 1.048 367 K CA 1.268 57.550 56.287 -0.009 0.000 0.940 367 K CB -0.159 32.332 32.500 -0.016 0.000 0.729 367 K HN 0.732 nan 8.250 nan 0.000 0.451 368 E N 1.403 121.609 120.200 0.011 0.000 2.023 368 E HA -0.221 4.142 4.350 0.022 0.000 0.196 368 E C 2.278 178.896 176.600 0.029 0.000 1.003 368 E CA 1.790 58.201 56.400 0.018 0.000 0.809 368 E CB 0.030 29.744 29.700 0.022 0.000 0.755 368 E HN 0.425 nan 8.360 nan 0.000 0.449 369 Q N -0.182 119.641 119.800 0.038 0.000 2.079 369 Q HA -0.140 4.214 4.340 0.022 0.000 0.200 369 Q C 2.484 178.511 176.000 0.044 0.000 0.974 369 Q CA 1.696 57.530 55.803 0.051 0.000 0.840 369 Q CB -0.131 28.643 28.738 0.060 0.000 0.898 369 Q HN 0.349 nan 8.270 nan 0.000 0.430 370 V N -1.280 118.650 119.914 0.027 0.000 2.515 370 V HA -0.194 3.939 4.120 0.022 0.000 0.250 370 V C 1.982 178.071 176.094 -0.009 0.000 1.058 370 V CA 1.405 63.712 62.300 0.011 0.000 1.064 370 V CB -0.627 31.198 31.823 0.003 0.000 0.675 370 V HN 0.312 nan 8.190 nan 0.000 0.461 371 L N 1.060 122.281 121.223 -0.004 0.000 2.056 371 L HA -0.094 4.259 4.340 0.022 0.000 0.207 371 L C 3.088 179.954 176.870 -0.007 0.000 1.078 371 L CA 2.116 56.945 54.840 -0.019 0.000 0.749 371 L CB -0.244 41.810 42.059 -0.008 0.000 0.901 371 L HN 0.468 nan 8.230 nan 0.000 0.433 372 R N -1.263 119.261 120.500 0.039 0.000 2.200 372 R HA -0.087 4.266 4.340 0.022 0.000 0.208 372 R C 2.003 178.417 176.300 0.190 0.000 1.033 372 R CA 0.529 56.677 56.100 0.079 0.000 1.000 372 R CB -0.555 29.807 30.300 0.103 0.000 0.906 372 R HN 0.204 nan 8.270 nan 0.000 0.462 373 L N 1.876 123.206 121.223 0.177 0.000 2.083 373 L HA -0.054 4.300 4.340 0.022 0.000 0.209 373 L C 2.698 179.681 176.870 0.188 0.000 1.083 373 L CA 1.694 56.682 54.840 0.246 0.000 0.752 373 L CB -0.670 41.427 42.059 0.064 0.000 0.899 373 L HN 0.243 nan 8.230 nan 0.000 0.433 374 R N -0.262 120.223 120.500 -0.026 0.000 2.055 374 R HA -0.148 4.205 4.340 0.022 0.000 0.226 374 R C 2.170 178.379 176.300 -0.152 0.000 1.135 374 R CA 1.490 57.433 56.100 -0.262 0.000 0.959 374 R CB -0.161 29.846 30.300 -0.488 0.000 0.854 374 R HN 0.636 nan 8.270 nan 0.000 0.431 375 E N -0.159 119.989 120.200 -0.088 0.000 2.107 375 E HA -0.172 4.191 4.350 0.022 0.000 0.191 375 E C 1.584 178.130 176.600 -0.089 0.000 0.982 375 E CA 1.064 57.425 56.400 -0.064 0.000 0.809 375 E CB -0.096 29.574 29.700 -0.051 0.000 0.756 375 E HN 0.454 nan 8.360 nan 0.000 0.459 376 E N -0.640 119.477 120.200 -0.138 0.000 2.190 376 E HA 0.016 4.379 4.350 0.022 0.000 0.191 376 E C 1.051 177.283 176.600 -0.614 0.000 0.978 376 E CA 0.668 56.812 56.400 -0.427 0.000 0.839 376 E CB 0.181 29.487 29.700 -0.656 0.000 0.787 376 E HN 0.341 nan 8.360 nan 0.000 0.473 377 F N -1.431 118.524 119.950 0.008 0.000 2.746 377 F HA 0.322 4.862 4.527 0.022 0.000 0.313 377 F C 1.266 177.107 175.800 0.069 0.000 1.095 377 F CA 0.241 58.260 58.000 0.032 0.000 1.224 377 F CB 1.234 40.252 39.000 0.029 0.000 1.060 377 F HN -0.012 nan 8.300 nan 0.000 0.584 378 G N 1.581 110.514 108.800 0.221 0.000 2.176 378 G HA2 -0.236 3.737 3.960 0.022 0.000 0.252 378 G HA3 -0.236 3.737 3.960 0.022 0.000 0.252 378 G C -0.308 174.843 174.900 0.418 0.000 1.024 378 G CA 0.125 45.411 45.100 0.310 0.000 0.755 378 G HN 0.171 nan 8.290 nan 0.000 0.507 379 V N 1.025 121.099 119.914 0.267 0.000 2.333 379 V HA 0.483 4.616 4.120 0.022 0.000 0.274 379 V C -0.112 176.075 176.094 0.156 0.000 1.028 379 V CA -0.982 61.465 62.300 0.245 0.000 0.851 379 V CB 0.691 32.590 31.823 0.127 0.000 1.000 379 V HN 0.247 nan 8.190 nan 0.000 0.456 380 Y N 3.483 123.842 120.300 0.099 0.000 2.327 380 Y HA 0.708 5.272 4.550 0.023 0.000 0.336 380 Y C 0.515 176.411 175.900 -0.008 0.000 1.035 380 Y CA -0.306 57.828 58.100 0.056 0.000 1.165 380 Y CB 1.516 40.008 38.460 0.054 0.000 1.181 380 Y HN 0.721 nan 8.280 nan 0.000 0.494 381 A N 2.253 125.121 122.820 0.080 0.000 2.527 381 A HA 0.803 5.136 4.320 0.022 0.000 0.293 381 A C -1.246 176.367 177.584 0.049 0.000 1.117 381 A CA -0.827 51.241 52.037 0.051 0.000 0.723 381 A CB 0.824 19.845 19.000 0.036 0.000 1.313 381 A HN 0.423 nan 8.150 nan 0.000 0.411 382 V N 1.172 121.116 119.914 0.050 0.000 2.775 382 V HA 0.353 4.486 4.120 0.022 0.000 0.299 382 V C 1.812 177.921 176.094 0.024 0.000 1.062 382 V CA 0.615 62.941 62.300 0.043 0.000 1.063 382 V CB 1.159 33.013 31.823 0.052 0.000 0.994 382 V HN 1.317 nan 8.190 nan 0.000 0.483 383 A N 3.015 125.841 122.820 0.010 0.000 2.076 383 A HA -0.136 4.197 4.320 0.022 0.000 0.220 383 A C 2.161 179.717 177.584 -0.047 0.000 1.160 383 A CA 1.966 53.995 52.037 -0.012 0.000 0.653 383 A CB -0.550 18.445 19.000 -0.010 0.000 0.801 383 A HN 1.052 nan 8.150 nan 0.000 0.455 384 S N -2.276 113.389 115.700 -0.059 0.000 2.562 384 S HA 0.361 4.844 4.470 0.022 0.000 0.221 384 S C 1.449 175.842 174.600 -0.346 0.000 0.975 384 S CA 0.985 59.064 58.200 -0.202 0.000 0.918 384 S CB -0.208 62.922 63.200 -0.117 0.000 0.772 384 S HN 1.866 nan 8.310 nan 0.000 0.531 385 G N 1.353 110.091 108.800 -0.103 0.000 2.175 385 G HA2 -0.274 3.699 3.960 0.022 0.000 0.244 385 G HA3 -0.274 3.699 3.960 0.022 0.000 0.244 385 G C 0.090 175.093 174.900 0.172 0.000 0.982 385 G CA -0.071 45.019 45.100 -0.017 0.000 0.641 385 G HN 0.643 nan 8.290 nan 0.000 0.527 386 R N 0.123 120.787 120.500 0.274 0.000 2.489 386 R HA 0.483 4.837 4.340 0.022 0.000 0.287 386 R C -0.661 175.758 176.300 0.198 0.000 1.053 386 R CA 0.136 56.466 56.100 0.384 0.000 1.036 386 R CB 0.772 31.254 30.300 0.303 0.000 0.966 386 R HN 0.192 nan 8.270 nan 0.000 0.432 387 V N 5.076 125.096 119.914 0.177 0.000 2.638 387 V HA 0.167 4.300 4.120 0.022 0.000 0.306 387 V C -0.909 175.214 176.094 0.049 0.000 1.052 387 V CA -0.968 61.366 62.300 0.056 0.000 0.885 387 V CB 1.981 33.776 31.823 -0.047 0.000 0.999 387 V HN 0.784 nan 8.190 nan 0.000 0.424 388 N N 4.876 123.575 118.700 -0.001 0.000 2.420 388 N HA 0.160 4.914 4.740 0.022 0.000 0.249 388 N C 0.834 176.202 175.510 -0.236 0.000 1.033 388 N CA 0.043 53.014 53.050 -0.132 0.000 0.944 388 N CB 1.786 40.188 38.487 -0.142 0.000 1.113 388 N HN 0.427 nan 8.380 nan 0.000 0.502 389 V N 3.359 123.111 119.914 -0.270 0.000 2.568 389 V HA -0.221 3.912 4.120 0.022 0.000 0.253 389 V C 2.050 178.019 176.094 -0.208 0.000 1.072 389 V CA 2.149 64.297 62.300 -0.253 0.000 1.084 389 V CB -0.829 30.872 31.823 -0.204 0.000 0.676 389 V HN 0.779 nan 8.190 nan 0.000 0.469 390 A N 0.119 122.801 122.820 -0.230 0.000 2.235 390 A HA 0.199 4.532 4.320 0.022 0.000 0.208 390 A C 2.142 179.586 177.584 -0.234 0.000 1.172 390 A CA 1.011 52.901 52.037 -0.244 0.000 0.786 390 A CB -0.489 18.335 19.000 -0.294 0.000 0.804 390 A HN 0.528 nan 8.150 nan 0.000 0.479 391 G N -0.873 107.803 108.800 -0.206 0.000 2.880 391 G HA2 0.289 4.262 3.960 0.022 0.000 0.209 391 G HA3 0.289 4.262 3.960 0.022 0.000 0.209 391 G C 0.561 175.389 174.900 -0.120 0.000 1.157 391 G CA -0.219 44.782 45.100 -0.166 0.000 0.779 391 G HN 0.471 nan 8.290 nan 0.000 0.539 392 M N 1.942 121.467 119.600 -0.126 0.000 2.233 392 M HA 0.411 4.904 4.480 0.022 0.000 0.355 392 M C -0.008 176.258 176.300 -0.058 0.000 1.191 392 M CA -0.304 54.947 55.300 -0.081 0.000 1.101 392 M CB 1.811 34.354 32.600 -0.095 0.000 1.592 392 M HN 0.049 nan 8.290 nan 0.000 0.461 393 T N -1.479 113.059 114.554 -0.026 0.000 2.924 393 T HA 0.517 4.881 4.350 0.022 0.000 0.291 393 T C -2.169 172.532 174.700 0.003 0.000 1.045 393 T CA -1.864 60.227 62.100 -0.015 0.000 1.015 393 T CB 1.817 70.680 68.868 -0.008 0.000 1.103 393 T HN 0.453 nan 8.240 nan 0.000 0.496 394 P HA -0.066 nan 4.420 nan 0.000 0.223 394 P C 0.580 177.889 177.300 0.014 0.000 1.144 394 P CA 0.947 64.054 63.100 0.013 0.000 0.783 394 P CB 0.198 31.905 31.700 0.012 0.000 0.771 395 D N 0.408 120.816 120.400 0.014 0.000 2.162 395 D HA -0.081 4.572 4.640 0.022 0.000 0.203 395 D C 1.365 177.678 176.300 0.021 0.000 0.967 395 D CA 1.085 55.095 54.000 0.017 0.000 0.840 395 D CB -0.280 40.530 40.800 0.017 0.000 0.972 395 D HN 0.355 nan 8.370 nan 0.000 0.482 396 N N 0.211 118.925 118.700 0.023 0.000 2.270 396 N HA -0.035 4.719 4.740 0.022 0.000 0.198 396 N C 1.408 176.937 175.510 0.031 0.000 1.117 396 N CA 0.061 53.129 53.050 0.030 0.000 0.845 396 N CB -0.041 38.468 38.487 0.036 0.000 0.980 396 N HN -0.050 nan 8.380 nan 0.000 0.486 397 M N 0.875 120.493 119.600 0.030 0.000 2.086 397 M HA 0.135 4.628 4.480 0.022 0.000 0.261 397 M C 1.891 178.203 176.300 0.020 0.000 1.067 397 M CA 1.366 56.691 55.300 0.041 0.000 1.116 397 M CB -0.674 31.950 32.600 0.039 0.000 1.348 397 M HN 0.305 nan 8.290 nan 0.000 0.407 398 A N 0.739 123.563 122.820 0.008 0.000 1.841 398 A HA -0.037 4.297 4.320 0.022 0.000 0.214 398 A C -0.412 177.168 177.584 -0.006 0.000 1.195 398 A CA 1.594 53.627 52.037 -0.007 0.000 0.611 398 A CB -2.320 16.679 19.000 -0.002 0.000 0.835 398 A HN 0.486 nan 8.150 nan 0.000 0.443 399 P HA -0.095 nan 4.420 nan 0.000 0.228 399 P C 1.487 178.792 177.300 0.007 0.000 1.151 399 P CA 0.682 63.795 63.100 0.021 0.000 0.770 399 P CB -0.022 31.705 31.700 0.045 0.000 0.786 400 L N -0.656 120.571 121.223 0.005 0.000 2.130 400 L HA -0.018 4.335 4.340 0.022 0.000 0.200 400 L C 2.206 179.047 176.870 -0.048 0.000 1.075 400 L CA 1.271 56.112 54.840 0.003 0.000 0.768 400 L CB -0.698 41.391 42.059 0.050 0.000 0.933 400 L HN -0.027 nan 8.230 nan 0.000 0.451 401 C N 0.379 119.647 119.300 -0.053 0.000 2.419 401 C HA -0.108 4.366 4.460 0.022 0.000 0.283 401 C C 2.452 177.348 174.990 -0.157 0.000 1.373 401 C CA 0.524 59.459 59.018 -0.138 0.000 1.781 401 C CB -0.908 26.733 27.740 -0.166 0.000 1.886 401 C HN 0.535 nan 8.230 nan 0.000 0.520 402 E N 0.886 121.012 120.200 -0.125 0.000 2.158 402 E HA -0.063 4.301 4.350 0.022 0.000 0.191 402 E C 2.390 178.843 176.600 -0.245 0.000 0.982 402 E CA 1.067 57.392 56.400 -0.127 0.000 0.823 402 E CB -0.168 29.497 29.700 -0.059 0.000 0.766 402 E HN 0.676 nan 8.360 nan 0.000 0.468 403 A N 1.383 123.986 122.820 -0.361 0.000 1.898 403 A HA -0.129 4.204 4.320 0.022 0.000 0.216 403 A C 2.150 179.340 177.584 -0.657 0.000 1.181 403 A CA 0.842 52.365 52.037 -0.857 0.000 0.620 403 A CB -0.482 18.099 19.000 -0.698 0.000 0.819 403 A HN 0.105 nan 8.150 nan 0.000 0.442 404 I N -0.437 119.927 120.570 -0.343 0.000 2.226 404 I HA -0.209 3.974 4.170 0.022 0.000 0.245 404 I C 2.337 178.349 176.117 -0.175 0.000 1.100 404 I CA 1.099 62.264 61.300 -0.226 0.000 1.374 404 I CB -0.302 37.574 38.000 -0.206 0.000 1.057 404 I HN 0.145 nan 8.210 nan 0.000 0.413 405 V N 1.177 120.987 119.914 -0.173 0.000 2.407 405 V HA -0.198 3.936 4.120 0.022 0.000 0.248 405 V C 1.652 177.707 176.094 -0.065 0.000 1.055 405 V CA 1.311 63.554 62.300 -0.094 0.000 1.049 405 V CB -0.977 30.794 31.823 -0.086 0.000 0.662 405 V HN 0.438 nan 8.190 nan 0.000 0.455 409 L N 0.000 121.248 121.223 0.042 0.000 2.949 409 L HA 0.000 4.353 4.340 0.022 0.000 0.249 409 L CA 0.000 54.883 54.840 0.072 0.000 0.813 409 L CB 0.000 42.112 42.059 0.089 0.000 0.961 409 L HN 0.000 nan 8.230 nan 0.000 0.502