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 2abz_1_B DATA FIRST_RESID 3 DATA SEQUENCE STNTFNYATY HTLDEIYDFM DLLVAEHPQL VSKLQIGRSY EGRPIYVLKF DATA SEQUENCE STGGSNRPAI WIDLGIHSRE WITQATGVWF AKKFTEDYGQ DPSFTAILDS DATA SEQUENCE MDIFLEIVTN PDGFAFTHSQ NRLWRKTRSV TXXSLcVGVD ANRNWDAGFG DATA SEQUENCE KAGASSSPcS ETYHGKYANS EVEVKSIVDF VKDHGNFKAF LSIHSYSQLL DATA SEQUENCE LYPYGYTTQS IPDKTELNQV AKSAVAALKS LYGTSYKYGS IITTIYQASG DATA SEQUENCE GSIDWSYNQG IKYSFTFELR DTGRYGFLLP ASQIIPTAQE TWLGVLTIME DATA SEQUENCE HTV 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.671 174.600 0.119 0.000 1.055 3 S CA 0.000 58.234 58.200 0.057 0.000 1.107 3 S CB 0.000 63.233 63.200 0.056 0.000 0.593 4 T N 1.267 115.882 114.554 0.101 0.000 3.072 4 T HA 0.043 4.393 4.350 0.000 0.000 0.266 4 T C 1.129 176.027 174.700 0.330 0.000 1.127 4 T CA 1.398 63.618 62.100 0.201 0.000 1.107 4 T CB -0.670 68.263 68.868 0.109 0.000 0.910 4 T HN 0.589 nan 8.240 nan 0.000 0.513 5 N N 1.317 120.148 118.700 0.219 0.000 2.300 5 N HA -0.028 4.712 4.740 0.000 0.000 0.179 5 N C 1.790 177.428 175.510 0.214 0.000 1.016 5 N CA 1.445 54.622 53.050 0.211 0.000 0.876 5 N CB -0.033 38.527 38.487 0.122 0.000 0.979 5 N HN 0.643 nan 8.380 nan 0.000 0.432 6 T N -2.269 112.388 114.554 0.171 0.000 3.086 6 T HA 0.107 4.457 4.350 0.000 0.000 0.250 6 T C 0.309 175.072 174.700 0.105 0.000 1.074 6 T CA -0.444 61.730 62.100 0.122 0.000 0.988 6 T CB -0.532 68.383 68.868 0.078 0.000 0.988 6 T HN 0.005 nan 8.240 nan 0.000 0.530 7 F N 3.449 123.376 119.950 -0.039 0.000 2.563 7 F HA 0.356 4.883 4.527 0.000 0.000 0.363 7 F C 0.476 176.080 175.800 -0.327 0.000 1.123 7 F CA -0.778 57.077 58.000 -0.241 0.000 1.307 7 F CB 0.419 39.168 39.000 -0.418 0.000 1.115 7 F HN 0.035 nan 8.300 nan 0.000 0.592 8 N N 5.037 123.274 118.700 -0.772 0.000 2.500 8 N HA 0.067 4.807 4.740 0.000 0.000 0.236 8 N C -0.221 175.086 175.510 -0.339 0.000 1.022 8 N CA -0.074 52.742 53.050 -0.391 0.000 0.935 8 N CB -0.027 38.295 38.487 -0.274 0.000 1.147 8 N HN 0.539 nan 8.380 nan 0.000 0.512 9 Y N 1.319 121.707 120.300 0.145 0.000 2.546 9 Y HA 0.198 4.748 4.550 0.000 0.000 0.287 9 Y C 1.721 177.665 175.900 0.074 0.000 1.158 9 Y CA 0.291 58.535 58.100 0.240 0.000 1.307 9 Y CB 0.294 38.964 38.460 0.349 0.000 1.036 9 Y HN 0.642 nan 8.280 nan 0.000 0.532 10 A N -0.758 122.114 122.820 0.087 0.000 2.507 10 A HA 0.340 4.660 4.320 0.000 0.000 0.270 10 A C 0.618 178.096 177.584 -0.176 0.000 1.318 10 A CA 0.300 52.313 52.037 -0.040 0.000 0.924 10 A CB -0.166 18.830 19.000 -0.008 0.000 1.061 10 A HN 0.152 nan 8.150 nan 0.000 0.516 11 T N -1.696 112.699 114.554 -0.266 0.000 2.864 11 T HA 0.549 4.900 4.350 0.000 0.000 0.299 11 T C -1.576 172.805 174.700 -0.533 0.000 1.166 11 T CA -0.386 61.478 62.100 -0.394 0.000 1.007 11 T CB 0.660 69.319 68.868 -0.348 0.000 1.219 11 T HN 0.133 nan 8.240 nan 0.000 0.506 12 Y N 2.629 122.790 120.300 -0.230 0.000 2.299 12 Y HA 0.442 4.992 4.550 0.000 0.000 0.326 12 Y C 1.228 176.894 175.900 -0.391 0.000 1.164 12 Y CA -0.247 57.745 58.100 -0.179 0.000 1.234 12 Y CB 0.626 39.119 38.460 0.055 0.000 1.219 12 Y HN 0.496 nan 8.280 nan 0.000 0.497 13 H N -0.013 119.127 119.070 0.118 0.000 2.710 13 H HA 0.353 4.909 4.556 0.000 0.000 0.361 13 H C -0.071 175.223 175.328 -0.055 0.000 1.175 13 H CA -0.610 55.456 56.048 0.030 0.000 1.206 13 H CB 1.850 31.653 29.762 0.068 0.000 1.750 13 H HN 0.660 nan 8.280 nan 0.000 0.553 14 T N -1.585 112.892 114.554 -0.129 0.000 2.816 14 T HA 0.152 4.502 4.350 0.000 0.000 0.282 14 T C 1.625 176.229 174.700 -0.160 0.000 0.993 14 T CA -0.838 60.875 62.100 -0.645 0.000 0.994 14 T CB 0.822 69.393 68.868 -0.495 0.000 1.025 14 T HN 0.546 nan 8.240 nan 0.000 0.529 15 L N 0.042 121.147 121.223 -0.197 0.000 2.012 15 L HA -0.132 4.208 4.340 0.000 0.000 0.210 15 L C 2.000 178.706 176.870 -0.274 0.000 1.073 15 L CA 2.079 56.842 54.840 -0.127 0.000 0.748 15 L CB -0.641 41.300 42.059 -0.197 0.000 0.891 15 L HN 0.668 nan 8.230 nan 0.000 0.431 16 D N 0.125 120.429 120.400 -0.161 0.000 2.104 16 D HA -0.220 4.420 4.640 0.000 0.000 0.194 16 D C 2.102 178.440 176.300 0.064 0.000 0.994 16 D CA 1.579 55.563 54.000 -0.026 0.000 0.830 16 D CB -0.107 40.691 40.800 -0.004 0.000 0.959 16 D HN 0.505 nan 8.370 nan 0.000 0.452 17 E N 0.132 120.362 120.200 0.051 0.000 2.085 17 E HA -0.144 4.206 4.350 0.000 0.000 0.194 17 E C 2.334 179.032 176.600 0.164 0.000 0.994 17 E CA 0.603 57.070 56.400 0.112 0.000 0.801 17 E CB -0.041 29.730 29.700 0.119 0.000 0.743 17 E HN 0.334 nan 8.360 nan 0.000 0.453 18 I N 0.074 120.733 120.570 0.147 0.000 2.252 18 I HA -0.248 3.923 4.170 0.000 0.000 0.245 18 I C 2.038 178.370 176.117 0.359 0.000 1.102 18 I CA 0.831 62.243 61.300 0.187 0.000 1.385 18 I CB -0.239 37.836 38.000 0.124 0.000 1.064 18 I HN 0.130 nan 8.210 nan 0.000 0.414 19 Y N 1.284 121.671 120.300 0.146 0.000 2.181 19 Y HA -0.238 4.312 4.550 0.000 0.000 0.288 19 Y C 2.421 178.346 175.900 0.041 0.000 1.146 19 Y CA 0.782 58.957 58.100 0.125 0.000 1.164 19 Y CB -1.026 37.552 38.460 0.198 0.000 0.982 19 Y HN 0.247 nan 8.280 nan 0.000 0.515 20 D N -0.657 119.876 120.400 0.223 0.000 2.117 20 D HA -0.192 4.448 4.640 0.000 0.000 0.197 20 D C 2.147 178.477 176.300 0.050 0.000 0.987 20 D CA 0.994 55.059 54.000 0.108 0.000 0.829 20 D CB -0.876 39.990 40.800 0.111 0.000 0.961 20 D HN 0.325 nan 8.370 nan 0.000 0.460 21 F N 1.188 121.088 119.950 -0.084 0.000 2.120 21 F HA -0.225 4.302 4.527 0.000 0.000 0.300 21 F C 2.283 177.961 175.800 -0.203 0.000 1.095 21 F CA 1.414 59.252 58.000 -0.270 0.000 1.249 21 F CB -0.253 38.395 39.000 -0.586 0.000 0.995 21 F HN -0.154 nan 8.300 nan 0.000 0.480 22 M N 0.144 119.650 119.600 -0.158 0.000 2.108 22 M HA -0.232 4.248 4.480 0.000 0.000 0.261 22 M C 1.741 177.829 176.300 -0.354 0.000 1.066 22 M CA 1.896 57.024 55.300 -0.286 0.000 1.107 22 M CB -0.619 31.894 32.600 -0.145 0.000 1.356 22 M HN 0.108 nan 8.290 nan 0.000 0.406 23 D N 0.481 120.725 120.400 -0.261 0.000 2.117 23 D HA -0.064 4.576 4.640 0.000 0.000 0.198 23 D C 2.096 178.263 176.300 -0.221 0.000 0.982 23 D CA 1.094 54.959 54.000 -0.225 0.000 0.828 23 D CB -0.273 40.437 40.800 -0.151 0.000 0.967 23 D HN 0.307 nan 8.370 nan 0.000 0.464 24 L N 0.142 121.221 121.223 -0.239 0.000 1.989 24 L HA -0.198 4.142 4.340 0.000 0.000 0.211 24 L C 2.473 179.182 176.870 -0.268 0.000 1.071 24 L CA 0.732 55.438 54.840 -0.223 0.000 0.749 24 L CB -0.351 41.586 42.059 -0.204 0.000 0.890 24 L HN 0.078 nan 8.230 nan 0.000 0.431 25 L N -0.818 120.137 121.223 -0.448 0.000 2.083 25 L HA -0.183 4.157 4.340 0.000 0.000 0.209 25 L C 2.308 179.076 176.870 -0.169 0.000 1.083 25 L CA 1.422 56.053 54.840 -0.348 0.000 0.752 25 L CB -0.232 41.429 42.059 -0.664 0.000 0.899 25 L HN -0.049 nan 8.230 nan 0.000 0.433 26 V N -0.368 119.402 119.914 -0.239 0.000 2.295 26 V HA -0.288 3.833 4.120 0.000 0.000 0.246 26 V C 2.727 178.737 176.094 -0.141 0.000 1.049 26 V CA 1.626 63.812 62.300 -0.189 0.000 1.024 26 V CB -1.267 30.424 31.823 -0.220 0.000 0.648 26 V HN 0.576 nan 8.190 nan 0.000 0.447 27 A N -0.357 122.373 122.820 -0.149 0.000 1.978 27 A HA -0.258 4.063 4.320 0.000 0.000 0.220 27 A C 2.121 179.618 177.584 -0.145 0.000 1.170 27 A CA 2.041 54.001 52.037 -0.129 0.000 0.636 27 A CB -0.419 18.511 19.000 -0.118 0.000 0.810 27 A HN 0.685 nan 8.150 nan 0.000 0.448 28 E N -1.716 118.378 120.200 -0.178 0.000 2.318 28 E HA -0.013 4.337 4.350 0.000 0.000 0.193 28 E C -0.199 176.062 176.600 -0.566 0.000 0.998 28 E CA 0.608 56.812 56.400 -0.327 0.000 0.859 28 E CB 0.071 29.577 29.700 -0.324 0.000 0.812 28 E HN 0.846 nan 8.360 nan 0.000 0.492 29 H N -0.482 118.531 119.070 -0.095 0.000 2.616 29 H HA 0.114 4.671 4.556 0.000 0.000 0.229 29 H C -1.995 173.273 175.328 -0.100 0.000 1.418 29 H CA -1.383 54.620 56.048 -0.075 0.000 1.248 29 H CB 0.644 30.376 29.762 -0.050 0.000 1.822 29 H HN 0.062 nan 8.280 nan 0.000 0.522 30 P HA -0.174 nan 4.420 nan 0.000 0.226 30 P C 1.101 178.366 177.300 -0.059 0.000 1.153 30 P CA 0.959 64.020 63.100 -0.064 0.000 0.777 30 P CB 0.566 32.224 31.700 -0.070 0.000 0.794 31 Q N -1.343 118.434 119.800 -0.037 0.000 2.392 31 Q HA 0.074 4.414 4.340 0.000 0.000 0.203 31 Q C 1.569 177.525 176.000 -0.073 0.000 0.917 31 Q CA 0.413 56.188 55.803 -0.045 0.000 0.939 31 Q CB -0.514 28.210 28.738 -0.024 0.000 1.063 31 Q HN 0.238 nan 8.270 nan 0.000 0.516 32 L N 0.070 121.253 121.223 -0.067 0.000 2.515 32 L HA 0.335 4.676 4.340 0.000 0.000 0.202 32 L C 0.255 177.021 176.870 -0.174 0.000 1.056 32 L CA 0.377 55.149 54.840 -0.112 0.000 0.847 32 L CB 1.301 43.335 42.059 -0.042 0.000 1.131 32 L HN 0.052 nan 8.230 nan 0.000 0.484 33 V N 0.389 120.176 119.914 -0.211 0.000 2.604 33 V HA 0.792 4.912 4.120 0.000 0.000 0.305 33 V C -0.831 175.072 176.094 -0.319 0.000 1.043 33 V CA 0.092 62.131 62.300 -0.436 0.000 0.888 33 V CB 1.866 33.273 31.823 -0.693 0.000 0.995 33 V HN 0.393 nan 8.190 nan 0.000 0.429 34 S N 4.862 120.359 115.700 -0.339 0.000 2.570 34 S HA 0.639 5.109 4.470 0.000 0.000 0.286 34 S C -0.897 173.567 174.600 -0.227 0.000 1.099 34 S CA -0.918 57.149 58.200 -0.222 0.000 0.913 34 S CB 1.886 65.010 63.200 -0.127 0.000 1.085 34 S HN 0.939 nan 8.310 nan 0.000 0.480 35 K N 1.655 121.941 120.400 -0.191 0.000 2.213 35 K HA 0.563 4.884 4.320 0.000 0.000 0.270 35 K C -1.402 175.154 176.600 -0.073 0.000 1.002 35 K CA -0.672 55.498 56.287 -0.194 0.000 0.868 35 K CB 0.513 32.804 32.500 -0.349 0.000 1.093 35 K HN 0.694 nan 8.250 nan 0.000 0.454 36 L N 3.861 125.098 121.223 0.023 0.000 2.322 36 L HA 0.363 4.703 4.340 0.000 0.000 0.281 36 L C -0.233 176.745 176.870 0.180 0.000 1.014 36 L CA -0.874 54.031 54.840 0.109 0.000 0.815 36 L CB 1.819 43.967 42.059 0.149 0.000 1.247 36 L HN 0.626 nan 8.230 nan 0.000 0.421 37 Q N 3.391 123.309 119.800 0.196 0.000 2.349 37 Q HA 0.279 4.620 4.340 0.000 0.000 0.254 37 Q C 0.611 176.652 176.000 0.069 0.000 0.980 37 Q CA -0.307 55.587 55.803 0.152 0.000 0.924 37 Q CB 1.165 29.982 28.738 0.133 0.000 1.209 37 Q HN 0.799 nan 8.270 nan 0.000 0.445 38 I N 0.477 121.057 120.570 0.018 0.000 3.860 38 I HA 0.522 4.692 4.170 0.000 0.000 0.319 38 I C 0.592 176.730 176.117 0.036 0.000 1.279 38 I CA 0.089 61.406 61.300 0.027 0.000 1.220 38 I CB 0.533 38.495 38.000 -0.063 0.000 1.027 38 I HN 0.564 nan 8.210 nan 0.000 0.428 39 G N 0.846 109.644 108.800 -0.003 0.000 2.317 39 G HA2 0.412 4.372 3.960 0.000 0.000 0.293 39 G HA3 0.412 4.372 3.960 0.000 0.000 0.293 39 G C -1.679 173.195 174.900 -0.043 0.000 1.287 39 G CA -1.072 44.023 45.100 -0.007 0.000 0.850 39 G HN 0.115 nan 8.290 nan 0.000 0.515 40 R N 0.011 120.495 120.500 -0.026 0.000 2.599 40 R HA 0.647 4.988 4.340 0.000 0.000 0.295 40 R C 0.710 177.012 176.300 0.005 0.000 0.963 40 R CA -0.227 55.855 56.100 -0.029 0.000 0.883 40 R CB 1.922 32.204 30.300 -0.030 0.000 1.171 40 R HN 0.903 nan 8.270 nan 0.000 0.450 41 S N 1.529 117.247 115.700 0.030 0.000 2.589 41 S HA -0.072 4.398 4.470 0.000 0.000 0.265 41 S C 1.188 175.847 174.600 0.098 0.000 1.342 41 S CA -0.372 57.878 58.200 0.083 0.000 1.005 41 S CB 0.377 63.646 63.200 0.114 0.000 0.909 41 S HN 0.709 nan 8.310 nan 0.000 0.555 42 Y N 1.498 121.809 120.300 0.019 0.000 2.096 42 Y HA -0.237 4.313 4.550 0.000 0.000 0.278 42 Y C 2.174 178.083 175.900 0.015 0.000 1.192 42 Y CA 2.526 60.635 58.100 0.014 0.000 1.143 42 Y CB -0.391 38.078 38.460 0.016 0.000 0.963 42 Y HN 0.846 nan 8.280 nan 0.000 0.505 43 E N -0.924 119.364 120.200 0.147 0.000 2.502 43 E HA 0.142 4.492 4.350 0.000 0.000 0.194 43 E C 1.216 177.822 176.600 0.009 0.000 1.062 43 E CA 0.475 56.910 56.400 0.058 0.000 0.867 43 E CB -0.108 29.666 29.700 0.124 0.000 0.888 43 E HN 0.661 nan 8.360 nan 0.000 0.510 44 G N 2.111 110.911 108.800 0.001 0.000 2.131 44 G HA2 -0.285 3.675 3.960 0.000 0.000 0.223 44 G HA3 -0.285 3.675 3.960 0.000 0.000 0.223 44 G C 0.012 174.922 174.900 0.017 0.000 0.990 44 G CA -0.379 44.716 45.100 -0.009 0.000 0.671 44 G HN 0.138 nan 8.290 nan 0.000 0.521 45 R N 1.113 121.641 120.500 0.046 0.000 2.441 45 R HA 0.437 4.777 4.340 0.000 0.000 0.284 45 R C -2.167 174.130 176.300 -0.006 0.000 1.070 45 R CA -1.547 54.595 56.100 0.069 0.000 1.047 45 R CB 0.875 31.256 30.300 0.134 0.000 1.016 45 R HN 0.141 nan 8.270 nan 0.000 0.477 46 P HA 0.056 nan 4.420 nan 0.000 0.271 46 P C -0.509 176.492 177.300 -0.499 0.000 1.216 46 P CA 0.261 63.121 63.100 -0.399 0.000 0.776 46 P CB 0.629 31.887 31.700 -0.738 0.000 0.881 47 I N 3.527 123.861 120.570 -0.392 0.000 2.330 47 I HA 0.263 4.433 4.170 0.000 0.000 0.289 47 I C -0.217 175.741 176.117 -0.265 0.000 1.001 47 I CA -0.697 60.474 61.300 -0.214 0.000 1.193 47 I CB 0.442 38.420 38.000 -0.037 0.000 1.345 47 I HN 0.236 nan 8.210 nan 0.000 0.461 48 Y N 5.183 125.441 120.300 -0.070 0.000 2.377 48 Y HA 0.583 5.134 4.550 0.000 0.000 0.339 48 Y C -0.031 175.841 175.900 -0.047 0.000 1.011 48 Y CA -1.109 56.917 58.100 -0.122 0.000 1.093 48 Y CB 1.915 40.202 38.460 -0.287 0.000 1.201 48 Y HN 0.146 nan 8.280 nan 0.000 0.455 49 V N 4.871 124.869 119.914 0.139 0.000 2.495 49 V HA 0.395 4.515 4.120 0.000 0.000 0.298 49 V C -0.301 175.829 176.094 0.059 0.000 1.031 49 V CA -1.071 61.281 62.300 0.086 0.000 0.871 49 V CB 1.821 33.685 31.823 0.069 0.000 0.988 49 V HN 0.568 nan 8.190 nan 0.000 0.432 50 L N 4.656 125.904 121.223 0.041 0.000 2.290 50 L HA 0.479 4.819 4.340 0.000 0.000 0.284 50 L C 0.266 177.054 176.870 -0.136 0.000 1.078 50 L CA -0.085 54.689 54.840 -0.109 0.000 0.815 50 L CB 0.800 42.793 42.059 -0.110 0.000 1.162 50 L HN 0.595 nan 8.230 nan 0.000 0.435 51 K N 3.749 123.949 120.400 -0.333 0.000 2.235 51 K HA 0.448 4.769 4.320 0.000 0.000 0.266 51 K C -1.442 174.796 176.600 -0.603 0.000 0.980 51 K CA -0.477 55.518 56.287 -0.488 0.000 0.849 51 K CB 0.832 33.112 32.500 -0.366 0.000 1.098 51 K HN 0.244 nan 8.250 nan 0.000 0.445 52 F N 2.294 122.048 119.950 -0.327 0.000 2.388 52 F HA 0.361 4.888 4.527 0.000 0.000 0.358 52 F C 0.270 175.888 175.800 -0.303 0.000 1.122 52 F CA -0.404 57.454 58.000 -0.238 0.000 1.056 52 F CB 2.016 40.924 39.000 -0.153 0.000 1.155 52 F HN 0.397 nan 8.300 nan 0.000 0.461 53 S N 0.778 116.384 115.700 -0.157 0.000 2.537 53 S HA 0.515 4.985 4.470 0.000 0.000 0.270 53 S C 0.026 174.505 174.600 -0.202 0.000 1.142 53 S CA -0.439 57.657 58.200 -0.173 0.000 0.870 53 S CB 1.374 64.491 63.200 -0.138 0.000 1.112 53 S HN 0.692 nan 8.310 nan 0.000 0.466 54 T N 0.252 114.687 114.554 -0.197 0.000 3.228 54 T HA 0.652 5.003 4.350 0.000 0.000 0.278 54 T C 0.829 175.476 174.700 -0.088 0.000 1.014 54 T CA 0.391 62.383 62.100 -0.180 0.000 0.904 54 T CB -0.231 68.502 68.868 -0.224 0.000 1.110 54 T HN 1.584 nan 8.240 nan 0.000 0.541 55 G N -0.337 108.421 108.800 -0.070 0.000 2.318 55 G HA2 0.459 4.420 3.960 0.000 0.000 0.367 55 G HA3 0.459 4.420 3.960 0.000 0.000 0.367 55 G C 0.080 174.964 174.900 -0.026 0.000 1.260 55 G CA -0.172 44.905 45.100 -0.039 0.000 1.055 55 G HN 1.797 nan 8.290 nan 0.000 0.484 56 G N -1.703 107.087 108.800 -0.017 0.000 2.855 56 G HA2 0.434 4.394 3.960 0.000 0.000 0.352 56 G HA3 0.434 4.394 3.960 0.000 0.000 0.352 56 G C 0.196 175.092 174.900 -0.008 0.000 1.415 56 G CA 0.787 45.880 45.100 -0.011 0.000 0.871 56 G HN 2.611 nan 8.290 nan 0.000 0.543 57 S N -0.705 114.987 115.700 -0.013 0.000 2.596 57 S HA 0.611 5.082 4.470 0.000 0.000 0.318 57 S C 0.375 174.946 174.600 -0.047 0.000 1.097 57 S CA 0.470 58.657 58.200 -0.021 0.000 1.080 57 S CB 1.359 64.544 63.200 -0.026 0.000 0.991 57 S HN 1.958 nan 8.310 nan 0.000 0.471 58 N N 1.775 120.439 118.700 -0.059 0.000 2.699 58 N HA -0.190 4.551 4.740 0.000 0.000 0.256 58 N C -0.099 175.352 175.510 -0.099 0.000 0.993 58 N CA 0.160 53.098 53.050 -0.187 0.000 0.759 58 N CB -0.448 37.818 38.487 -0.368 0.000 0.906 58 N HN 0.708 nan 8.380 nan 0.000 0.541 59 R N 0.273 120.788 120.500 0.024 0.000 2.861 59 R HA 0.082 4.423 4.340 0.000 0.000 0.268 59 R C -2.128 174.236 176.300 0.108 0.000 1.027 59 R CA -0.745 55.385 56.100 0.049 0.000 1.163 59 R CB 0.097 30.423 30.300 0.043 0.000 1.060 59 R HN 0.156 nan 8.270 nan 0.000 0.483 60 P HA -0.056 nan 4.420 nan 0.000 0.264 60 P C -1.327 176.035 177.300 0.104 0.000 1.183 60 P CA 0.674 63.834 63.100 0.100 0.000 0.763 60 P CB 0.790 32.539 31.700 0.083 0.000 0.807 61 A N 3.722 126.572 122.820 0.051 0.000 2.384 61 A HA 0.752 5.072 4.320 0.000 0.000 0.312 61 A C -0.844 176.931 177.584 0.318 0.000 1.113 61 A CA -0.709 51.367 52.037 0.065 0.000 0.779 61 A CB 0.887 19.653 19.000 -0.390 0.000 1.307 61 A HN 0.423 nan 8.150 nan 0.000 0.436 62 I N 1.579 122.425 120.570 0.460 0.000 2.362 62 I HA 0.258 4.428 4.170 0.000 0.000 0.289 62 I C -0.451 176.116 176.117 0.751 0.000 0.994 62 I CA -0.196 61.431 61.300 0.545 0.000 1.158 62 I CB 1.326 39.522 38.000 0.328 0.000 1.315 62 I HN 0.748 nan 8.210 nan 0.000 0.451 63 W N 8.429 130.048 121.300 0.530 0.000 2.365 63 W HA 0.638 5.298 4.660 0.000 0.000 0.316 63 W C -1.574 174.985 176.519 0.067 0.000 1.164 63 W CA -0.683 56.785 57.345 0.205 0.000 1.204 63 W CB 1.172 30.382 29.460 -0.418 0.000 1.213 63 W HN 0.322 nan 8.180 nan 0.000 0.539 64 I N 6.876 127.084 120.570 -0.605 0.000 2.468 64 I HA 0.086 4.256 4.170 0.000 0.000 0.284 64 I C -0.298 175.385 176.117 -0.724 0.000 1.038 64 I CA -0.588 60.486 61.300 -0.377 0.000 1.083 64 I CB 1.653 39.686 38.000 0.055 0.000 1.223 64 I HN 0.305 nan 8.210 nan 0.000 0.443 65 D N 7.552 127.698 120.400 -0.423 0.000 2.163 65 D HA 0.666 5.306 4.640 0.000 0.000 0.248 65 D C -0.990 175.313 176.300 0.006 0.000 1.035 65 D CA -0.459 53.471 54.000 -0.118 0.000 0.872 65 D CB 2.804 43.822 40.800 0.363 0.000 1.183 65 D HN 0.203 nan 8.370 nan 0.000 0.445 66 L N 0.039 121.252 121.223 -0.015 0.000 2.393 66 L HA 0.547 4.888 4.340 0.000 0.000 0.260 66 L C 1.061 177.910 176.870 -0.034 0.000 1.002 66 L CA -0.540 54.281 54.840 -0.032 0.000 0.818 66 L CB 2.136 44.158 42.059 -0.063 0.000 1.369 66 L HN 0.771 nan 8.230 nan 0.000 0.412 67 G N 0.984 109.758 108.800 -0.043 0.000 2.198 67 G HA2 -0.296 3.664 3.960 0.000 0.000 0.260 67 G HA3 -0.296 3.664 3.960 0.000 0.000 0.260 67 G C 0.829 175.745 174.900 0.026 0.000 1.025 67 G CA 0.732 45.828 45.100 -0.006 0.000 0.769 67 G HN 0.721 nan 8.290 nan 0.000 0.507 68 I N -0.566 119.973 120.570 -0.052 0.000 2.286 68 I HA -0.026 4.144 4.170 0.000 0.000 0.248 68 I C 1.193 177.286 176.117 -0.040 0.000 1.115 68 I CA 1.072 62.344 61.300 -0.046 0.000 1.392 68 I CB 0.093 38.046 38.000 -0.077 0.000 1.065 68 I HN 0.460 nan 8.210 nan 0.000 0.418 69 H N -0.558 118.571 119.070 0.097 0.000 2.556 69 H HA 0.172 4.729 4.556 0.000 0.000 0.310 69 H C 1.365 176.787 175.328 0.157 0.000 1.057 69 H CA -0.105 56.013 56.048 0.117 0.000 1.264 69 H CB 1.201 31.036 29.762 0.122 0.000 1.404 69 H HN 0.123 nan 8.280 nan 0.000 0.462 70 S N 3.555 119.461 115.700 0.343 0.000 2.402 70 S HA -0.217 4.253 4.470 0.000 0.000 0.229 70 S C 1.946 176.866 174.600 0.534 0.000 1.021 70 S CA 0.814 59.297 58.200 0.472 0.000 0.974 70 S CB -0.096 63.446 63.200 0.571 0.000 0.800 70 S HN 0.732 nan 8.310 nan 0.000 0.484 71 R N 1.974 122.620 120.500 0.243 0.000 2.285 71 R HA 0.071 4.411 4.340 0.000 0.000 0.213 71 R C 0.243 176.597 176.300 0.090 0.000 1.068 71 R CA 0.959 57.056 56.100 -0.005 0.000 1.004 71 R CB -0.650 29.433 30.300 -0.362 0.000 0.873 71 R HN 0.419 nan 8.270 nan 0.000 0.467 72 E N 1.007 121.375 120.200 0.280 0.000 2.467 72 E HA -0.054 4.296 4.350 0.000 0.000 0.321 72 E C -0.306 176.588 176.600 0.490 0.000 1.388 72 E CA -0.464 56.197 56.400 0.435 0.000 1.508 72 E CB -0.062 29.891 29.700 0.421 0.000 1.250 72 E HN 0.376 nan 8.360 nan 0.000 0.500 73 W N 0.502 121.914 121.300 0.187 0.000 2.421 73 W HA -0.130 4.530 4.660 0.000 0.000 0.270 73 W C 1.781 178.496 176.519 0.327 0.000 1.233 73 W CA 0.070 57.520 57.345 0.176 0.000 1.226 73 W CB -0.318 29.019 29.460 -0.205 0.000 1.121 73 W HN 0.423 nan 8.180 nan 0.000 0.579 74 I N 0.964 121.861 120.570 0.545 0.000 2.454 74 I HA -0.258 3.912 4.170 0.000 0.000 0.254 74 I C 2.568 178.827 176.117 0.237 0.000 1.156 74 I CA 2.344 63.907 61.300 0.438 0.000 1.433 74 I CB -0.949 37.249 38.000 0.331 0.000 1.082 74 I HN 0.015 nan 8.210 nan 0.000 0.432 75 T N -1.775 112.907 114.554 0.213 0.000 2.701 75 T HA -0.218 4.132 4.350 0.000 0.000 0.263 75 T C 1.828 176.521 174.700 -0.011 0.000 1.040 75 T CA 1.513 63.657 62.100 0.074 0.000 1.147 75 T CB -0.618 68.304 68.868 0.090 0.000 0.865 75 T HN 0.368 nan 8.240 nan 0.000 0.426 76 Q N 1.689 121.493 119.800 0.006 0.000 2.084 76 Q HA 0.230 4.571 4.340 0.000 0.000 0.202 76 Q C 2.708 178.683 176.000 -0.041 0.000 0.978 76 Q CA 1.719 57.458 55.803 -0.107 0.000 0.844 76 Q CB -0.859 27.675 28.738 -0.339 0.000 0.898 76 Q HN 0.746 nan 8.270 nan 0.000 0.426 77 A N -0.050 122.818 122.820 0.080 0.000 1.933 77 A HA -0.185 4.136 4.320 0.000 0.000 0.218 77 A C 2.212 179.807 177.584 0.017 0.000 1.175 77 A CA 1.864 53.959 52.037 0.096 0.000 0.628 77 A CB -0.868 18.211 19.000 0.132 0.000 0.814 77 A HN 0.377 nan 8.150 nan 0.000 0.444 78 T N -0.292 114.211 114.554 -0.085 0.000 2.777 78 T HA -0.010 4.340 4.350 0.000 0.000 0.266 78 T C 2.010 176.446 174.700 -0.439 0.000 1.040 78 T CA 1.324 63.247 62.100 -0.294 0.000 1.141 78 T CB -0.644 67.962 68.868 -0.437 0.000 0.868 78 T HN 0.582 nan 8.240 nan 0.000 0.444 79 G N 1.291 109.890 108.800 -0.335 0.000 2.476 79 G HA2 -0.217 3.743 3.960 0.000 0.000 0.218 79 G HA3 -0.217 3.743 3.960 0.000 0.000 0.218 79 G C 1.703 176.538 174.900 -0.108 0.000 1.164 79 G CA 1.065 46.038 45.100 -0.212 0.000 0.768 79 G HN 0.427 nan 8.290 nan 0.000 0.560 80 V N -0.580 119.258 119.914 -0.127 0.000 2.287 80 V HA -0.178 3.942 4.120 0.000 0.000 0.248 80 V C 2.265 178.274 176.094 -0.141 0.000 1.053 80 V CA 2.000 64.115 62.300 -0.309 0.000 1.027 80 V CB -0.636 30.940 31.823 -0.412 0.000 0.646 80 V HN 0.624 nan 8.190 nan 0.000 0.447 81 W N -0.165 121.038 121.300 -0.162 0.000 2.338 81 W HA -0.211 4.450 4.660 0.000 0.000 0.304 81 W C 2.275 178.624 176.519 -0.283 0.000 1.212 81 W CA 1.619 58.837 57.345 -0.211 0.000 1.264 81 W CB -0.346 29.026 29.460 -0.146 0.000 1.142 81 W HN 0.209 nan 8.180 nan 0.000 0.512 82 F N 0.557 120.364 119.950 -0.237 0.000 2.095 82 F HA -0.192 4.336 4.527 0.000 0.000 0.298 82 F C 2.542 177.459 175.800 -1.472 0.000 1.104 82 F CA 1.604 59.117 58.000 -0.813 0.000 1.232 82 F CB -1.671 36.954 39.000 -0.624 0.000 0.987 82 F HN -0.016 nan 8.300 nan 0.000 0.475 83 A N -0.283 122.160 122.820 -0.628 0.000 1.883 83 A HA -0.287 4.034 4.320 0.000 0.000 0.217 83 A C 2.242 179.649 177.584 -0.295 0.000 1.186 83 A CA 2.277 54.106 52.037 -0.345 0.000 0.624 83 A CB -0.760 18.430 19.000 0.316 0.000 0.822 83 A HN 0.266 nan 8.150 nan 0.000 0.444 84 K N 0.153 120.404 120.400 -0.248 0.000 2.057 84 K HA -0.163 4.157 4.320 0.000 0.000 0.207 84 K C 1.999 178.222 176.600 -0.628 0.000 1.049 84 K CA 2.044 58.129 56.287 -0.336 0.000 0.931 84 K CB -0.248 31.997 32.500 -0.425 0.000 0.714 84 K HN 0.274 nan 8.250 nan 0.000 0.440 85 K N -0.036 119.754 120.400 -1.016 0.000 2.063 85 K HA -0.114 4.206 4.320 0.000 0.000 0.208 85 K C 1.794 177.911 176.600 -0.805 0.000 1.048 85 K CA 1.621 57.220 56.287 -1.147 0.000 0.928 85 K CB -0.577 30.908 32.500 -1.691 0.000 0.713 85 K HN 0.123 nan 8.250 nan 0.000 0.442 86 F N 1.036 120.461 119.950 -0.874 0.000 2.091 86 F HA -0.191 4.336 4.527 0.000 0.000 0.299 86 F C 2.548 178.245 175.800 -0.172 0.000 1.103 86 F CA 1.813 59.444 58.000 -0.615 0.000 1.228 86 F CB -1.789 36.724 39.000 -0.813 0.000 0.984 86 F HN 0.341 nan 8.300 nan 0.000 0.477 87 T N -2.683 111.825 114.554 -0.076 0.000 2.951 87 T HA -0.078 4.272 4.350 0.000 0.000 0.268 87 T C 1.685 176.293 174.700 -0.153 0.000 1.073 87 T CA 1.027 63.005 62.100 -0.204 0.000 1.134 87 T CB -0.153 68.276 68.868 -0.731 0.000 0.884 87 T HN 0.103 nan 8.240 nan 0.000 0.479 88 E N 1.368 121.447 120.200 -0.202 0.000 2.107 88 E HA -0.041 4.310 4.350 0.000 0.000 0.191 88 E C 1.692 178.250 176.600 -0.071 0.000 0.982 88 E CA 1.057 57.366 56.400 -0.152 0.000 0.809 88 E CB -0.256 29.285 29.700 -0.265 0.000 0.756 88 E HN 0.543 nan 8.360 nan 0.000 0.459 89 D N -0.747 119.611 120.400 -0.069 0.000 2.271 89 D HA -0.060 4.581 4.640 0.000 0.000 0.206 89 D C 0.236 176.694 176.300 0.263 0.000 0.967 89 D CA 0.072 54.099 54.000 0.046 0.000 0.867 89 D CB -0.099 40.653 40.800 -0.081 0.000 0.960 89 D HN 0.083 nan 8.370 nan 0.000 0.509 90 Y N 0.826 121.296 120.300 0.282 0.000 2.632 90 Y HA 0.274 4.825 4.550 0.000 0.000 0.329 90 Y C 1.522 177.474 175.900 0.086 0.000 1.174 90 Y CA 1.012 59.228 58.100 0.194 0.000 1.469 90 Y CB 0.344 38.865 38.460 0.102 0.000 1.242 90 Y HN 0.209 nan 8.280 nan 0.000 0.540 91 G N 4.305 112.647 108.800 -0.762 0.000 2.179 91 G HA2 -0.266 3.695 3.960 0.000 0.000 0.260 91 G HA3 -0.266 3.695 3.960 0.000 0.000 0.260 91 G C 0.740 175.528 174.900 -0.187 0.000 0.977 91 G CA 0.622 45.426 45.100 -0.493 0.000 0.641 91 G HN 0.563 nan 8.290 nan 0.000 0.533 92 Q N -0.400 119.341 119.800 -0.097 0.000 2.619 92 Q HA 0.182 4.522 4.340 0.000 0.000 0.230 92 Q C 0.477 176.473 176.000 -0.007 0.000 0.871 92 Q CA 0.765 56.548 55.803 -0.034 0.000 0.934 92 Q CB 0.167 28.902 28.738 -0.005 0.000 1.183 92 Q HN 0.539 nan 8.270 nan 0.000 0.631 93 D N 2.287 122.714 120.400 0.046 0.000 2.316 93 D HA 0.136 4.776 4.640 0.000 0.000 0.245 93 D C -1.829 174.507 176.300 0.059 0.000 1.171 93 D CA -1.903 52.147 54.000 0.082 0.000 0.856 93 D CB 1.800 42.703 40.800 0.171 0.000 1.090 93 D HN -0.168 nan 8.370 nan 0.000 0.476 94 P HA -0.106 nan 4.420 nan 0.000 0.217 94 P C 1.204 178.506 177.300 0.003 0.000 1.150 94 P CA 0.671 63.763 63.100 -0.013 0.000 0.832 94 P CB 0.282 31.972 31.700 -0.016 0.000 0.787 95 S N -1.448 114.274 115.700 0.037 0.000 2.348 95 S HA -0.141 4.330 4.470 0.000 0.000 0.221 95 S C 1.612 176.264 174.600 0.087 0.000 1.033 95 S CA 0.987 59.211 58.200 0.039 0.000 1.010 95 S CB -1.027 62.191 63.200 0.030 0.000 0.891 95 S HN 0.079 nan 8.310 nan 0.000 0.442 96 F N 2.262 122.222 119.950 0.016 0.000 2.325 96 F HA -0.036 4.491 4.527 0.000 0.000 0.299 96 F C 2.300 178.145 175.800 0.076 0.000 1.090 96 F CA 1.246 59.286 58.000 0.067 0.000 1.392 96 F CB -0.769 38.344 39.000 0.187 0.000 1.053 96 F HN 0.122 nan 8.300 nan 0.000 0.521 97 T N 0.378 114.898 114.554 -0.056 0.000 2.737 97 T HA -0.111 4.239 4.350 0.000 0.000 0.265 97 T C 2.307 176.948 174.700 -0.098 0.000 1.038 97 T CA 1.295 63.285 62.100 -0.184 0.000 1.144 97 T CB -0.809 67.865 68.868 -0.322 0.000 0.866 97 T HN 0.312 nan 8.240 nan 0.000 0.434 98 A N 1.322 124.093 122.820 -0.080 0.000 1.892 98 A HA -0.103 4.217 4.320 0.000 0.000 0.218 98 A C 2.271 179.807 177.584 -0.080 0.000 1.188 98 A CA 1.536 53.536 52.037 -0.061 0.000 0.631 98 A CB -0.954 18.018 19.000 -0.047 0.000 0.822 98 A HN 0.491 nan 8.150 nan 0.000 0.447 99 I N -1.155 119.344 120.570 -0.119 0.000 2.118 99 I HA -0.260 3.910 4.170 0.000 0.000 0.241 99 I C 2.312 178.314 176.117 -0.192 0.000 1.070 99 I CA 1.269 62.482 61.300 -0.145 0.000 1.327 99 I CB -0.275 37.639 38.000 -0.143 0.000 1.034 99 I HN 0.281 nan 8.210 nan 0.000 0.405 100 L N 0.200 121.228 121.223 -0.325 0.000 2.275 100 L HA -0.173 4.167 4.340 0.000 0.000 0.215 100 L C 1.662 178.453 176.870 -0.132 0.000 1.119 100 L CA 1.753 56.405 54.840 -0.313 0.000 0.790 100 L CB -0.859 40.889 42.059 -0.518 0.000 0.919 100 L HN 0.206 nan 8.230 nan 0.000 0.443 101 D N -1.703 118.687 120.400 -0.017 0.000 2.371 101 D HA -0.030 4.611 4.640 0.000 0.000 0.221 101 D C 1.686 177.973 176.300 -0.022 0.000 0.986 101 D CA 0.748 54.758 54.000 0.016 0.000 0.899 101 D CB 0.395 41.219 40.800 0.040 0.000 0.902 101 D HN 0.248 nan 8.370 nan 0.000 0.530 102 S N -1.392 114.282 115.700 -0.042 0.000 2.679 102 S HA 0.274 4.745 4.470 0.000 0.000 0.258 102 S C 0.553 175.140 174.600 -0.022 0.000 1.068 102 S CA -0.285 57.898 58.200 -0.028 0.000 1.115 102 S CB 1.424 64.609 63.200 -0.024 0.000 1.078 102 S HN 0.046 nan 8.310 nan 0.000 0.603 103 M N 1.382 120.957 119.600 -0.041 0.000 2.550 103 M HA 0.472 4.952 4.480 0.000 0.000 0.292 103 M C -1.857 174.422 176.300 -0.035 0.000 1.221 103 M CA -0.717 54.576 55.300 -0.013 0.000 0.873 103 M CB 1.994 34.593 32.600 -0.002 0.000 1.727 103 M HN -0.141 nan 8.290 nan 0.000 0.459 104 D N 1.597 122.013 120.400 0.028 0.000 2.217 104 D HA 0.662 5.302 4.640 0.000 0.000 0.248 104 D C -0.883 175.439 176.300 0.037 0.000 1.008 104 D CA -0.129 53.861 54.000 -0.017 0.000 0.914 104 D CB 1.732 42.542 40.800 0.015 0.000 1.182 104 D HN 0.380 nan 8.370 nan 0.000 0.451 105 I N 1.094 121.633 120.570 -0.051 0.000 2.433 105 I HA 0.327 4.497 4.170 0.000 0.000 0.292 105 I C -0.785 175.385 176.117 0.089 0.000 1.001 105 I CA -0.749 60.606 61.300 0.092 0.000 1.119 105 I CB 1.170 39.103 38.000 -0.113 0.000 1.289 105 I HN 0.070 nan 8.210 nan 0.000 0.438 106 F N 6.675 126.853 119.950 0.380 0.000 2.427 106 F HA 0.469 4.996 4.527 0.000 0.000 0.348 106 F C -0.447 175.377 175.800 0.039 0.000 1.125 106 F CA -0.645 57.557 58.000 0.337 0.000 0.989 106 F CB 1.602 40.982 39.000 0.634 0.000 1.165 106 F HN 0.196 nan 8.300 nan 0.000 0.442 107 L N 4.072 125.432 121.223 0.228 0.000 2.316 107 L HA 0.413 4.754 4.340 0.000 0.000 0.280 107 L C -0.363 176.480 176.870 -0.045 0.000 1.006 107 L CA -0.205 54.701 54.840 0.110 0.000 0.836 107 L CB 1.223 43.538 42.059 0.428 0.000 1.221 107 L HN 0.572 nan 8.230 nan 0.000 0.418 108 E N 4.815 124.839 120.200 -0.293 0.000 2.028 108 E HA 0.198 4.549 4.350 0.000 0.000 0.266 108 E C 0.778 177.351 176.600 -0.045 0.000 0.962 108 E CA -0.123 56.190 56.400 -0.146 0.000 0.784 108 E CB 0.634 30.238 29.700 -0.161 0.000 1.114 108 E HN 0.768 nan 8.360 nan 0.000 0.414 109 I N 2.748 123.333 120.570 0.026 0.000 2.252 109 I HA -0.148 4.023 4.170 0.000 0.000 0.245 109 I C 0.486 176.576 176.117 -0.045 0.000 1.102 109 I CA 0.778 62.078 61.300 0.000 0.000 1.385 109 I CB 0.267 38.291 38.000 0.040 0.000 1.064 109 I HN 0.263 nan 8.210 nan 0.000 0.414 110 V N 0.814 120.738 119.914 0.017 0.000 2.327 110 V HA 0.139 4.259 4.120 0.000 0.000 0.272 110 V C 0.750 176.894 176.094 0.083 0.000 1.019 110 V CA -0.266 62.014 62.300 -0.032 0.000 0.814 110 V CB 0.714 32.489 31.823 -0.079 0.000 1.040 110 V HN 0.149 nan 8.190 nan 0.000 0.440 111 T N 1.465 116.070 114.554 0.085 0.000 2.995 111 T HA -0.053 4.297 4.350 0.000 0.000 0.269 111 T C 1.080 175.871 174.700 0.152 0.000 1.091 111 T CA 1.320 63.510 62.100 0.150 0.000 1.128 111 T CB -0.156 68.824 68.868 0.186 0.000 0.891 111 T HN 0.529 nan 8.240 nan 0.000 0.492 112 N N 1.172 119.962 118.700 0.150 0.000 2.844 112 N HA 0.213 4.953 4.740 0.000 0.000 0.268 112 N C -2.195 173.458 175.510 0.237 0.000 1.574 112 N CA -2.350 50.815 53.050 0.190 0.000 0.838 112 N CB 1.321 39.935 38.487 0.212 0.000 1.177 112 N HN -0.019 nan 8.380 nan 0.000 0.495 113 P HA -0.043 nan 4.420 nan 0.000 0.218 113 P C 0.386 177.841 177.300 0.258 0.000 1.149 113 P CA 1.022 64.267 63.100 0.242 0.000 0.817 113 P CB 0.645 32.480 31.700 0.224 0.000 0.785 114 D N 0.221 120.755 120.400 0.223 0.000 2.097 114 D HA -0.096 4.545 4.640 0.000 0.000 0.197 114 D C 2.410 178.859 176.300 0.248 0.000 0.984 114 D CA 1.726 55.845 54.000 0.199 0.000 0.826 114 D CB -1.255 39.640 40.800 0.159 0.000 0.973 114 D HN 0.164 nan 8.370 nan 0.000 0.460 115 G N 0.216 109.205 108.800 0.315 0.000 2.469 115 G HA2 -0.301 3.660 3.960 0.000 0.000 0.219 115 G HA3 -0.301 3.660 3.960 0.000 0.000 0.219 115 G C 1.491 176.709 174.900 0.529 0.000 1.150 115 G CA 0.444 45.828 45.100 0.475 0.000 0.763 115 G HN 0.199 nan 8.290 nan 0.000 0.561 116 F N 2.305 122.440 119.950 0.308 0.000 2.113 116 F HA 0.157 4.685 4.527 0.000 0.000 0.297 116 F C 2.828 178.837 175.800 0.348 0.000 1.103 116 F CA 0.994 59.182 58.000 0.313 0.000 1.248 116 F CB -0.475 38.639 39.000 0.191 0.000 0.999 116 F HN 0.228 nan 8.300 nan 0.000 0.475 117 A N -0.351 122.620 122.820 0.252 0.000 1.940 117 A HA -0.260 4.060 4.320 0.000 0.000 0.219 117 A C 2.173 179.844 177.584 0.145 0.000 1.176 117 A CA 1.746 53.851 52.037 0.115 0.000 0.631 117 A CB -1.620 17.444 19.000 0.107 0.000 0.814 117 A HN 0.473 nan 8.150 nan 0.000 0.446 118 F N 1.667 121.640 119.950 0.039 0.000 2.234 118 F HA -0.146 4.381 4.527 0.000 0.000 0.299 118 F C 2.763 178.576 175.800 0.020 0.000 1.087 118 F CA 2.158 60.132 58.000 -0.042 0.000 1.340 118 F CB -0.413 38.450 39.000 -0.228 0.000 1.031 118 F HN 0.368 nan 8.300 nan 0.000 0.500 119 T N -3.368 111.309 114.554 0.204 0.000 2.915 119 T HA -0.201 4.149 4.350 0.000 0.000 0.269 119 T C 1.641 176.341 174.700 0.000 0.000 1.071 119 T CA 1.956 64.126 62.100 0.117 0.000 1.132 119 T CB -0.751 68.312 68.868 0.326 0.000 0.878 119 T HN 0.424 nan 8.240 nan 0.000 0.479 120 H N 0.979 120.058 119.070 0.013 0.000 2.465 120 H HA 0.213 4.769 4.556 0.000 0.000 0.289 120 H C 2.733 178.003 175.328 -0.096 0.000 1.022 120 H CA 1.389 57.432 56.048 -0.009 0.000 1.340 120 H CB 0.241 29.894 29.762 -0.181 0.000 1.437 120 H HN 0.577 nan 8.280 nan 0.000 0.539 121 S N -0.793 114.870 115.700 -0.061 0.000 2.441 121 S HA -0.003 4.468 4.470 0.000 0.000 0.224 121 S C 1.601 176.027 174.600 -0.290 0.000 1.043 121 S CA 0.503 58.615 58.200 -0.146 0.000 0.948 121 S CB 0.477 63.603 63.200 -0.124 0.000 0.810 121 S HN 0.231 nan 8.310 nan 0.000 0.504 122 Q N 0.133 119.598 119.800 -0.559 0.000 2.563 122 Q HA 0.348 4.689 4.340 0.000 0.000 0.236 122 Q C -0.469 175.192 176.000 -0.566 0.000 0.792 122 Q CA 0.302 55.674 55.803 -0.719 0.000 0.960 122 Q CB 0.217 28.083 28.738 -1.454 0.000 1.304 122 Q HN 0.527 nan 8.270 nan 0.000 0.566 123 N N 0.856 119.194 118.700 -0.603 0.000 2.607 123 N HA 0.127 4.868 4.740 0.000 0.000 0.271 123 N C 0.214 175.695 175.510 -0.049 0.000 1.142 123 N CA 0.067 53.014 53.050 -0.173 0.000 0.810 123 N CB 1.318 39.887 38.487 0.137 0.000 1.306 123 N HN -0.112 nan 8.380 nan 0.000 0.536 124 R N 2.908 123.318 120.500 -0.150 0.000 2.185 124 R HA 0.011 4.351 4.340 0.000 0.000 0.247 124 R C 0.530 176.687 176.300 -0.238 0.000 1.159 124 R CA 1.690 57.619 56.100 -0.286 0.000 0.988 124 R CB -0.231 29.831 30.300 -0.396 0.000 0.871 124 R HN 0.675 nan 8.270 nan 0.000 0.458 125 L N -0.295 120.879 121.223 -0.081 0.000 2.872 125 L HA 0.233 4.574 4.340 0.000 0.000 0.245 125 L C 0.021 176.890 176.870 -0.001 0.000 1.211 125 L CA -0.752 54.028 54.840 -0.100 0.000 1.013 125 L CB -0.007 42.012 42.059 -0.067 0.000 1.326 125 L HN 0.198 nan 8.230 nan 0.000 0.525 126 W N 2.086 123.381 121.300 -0.007 0.000 2.253 126 W HA 0.059 4.719 4.660 0.000 0.000 0.322 126 W C 0.956 177.494 176.519 0.032 0.000 1.342 126 W CA 0.143 57.542 57.345 0.089 0.000 1.218 126 W CB 0.971 30.630 29.460 0.332 0.000 1.205 126 W HN 0.262 nan 8.180 nan 0.000 0.551 127 R N 3.632 123.702 120.500 -0.717 0.000 2.164 127 R HA 0.083 4.424 4.340 0.000 0.000 0.198 127 R C 0.527 176.680 176.300 -0.244 0.000 1.028 127 R CA 0.387 56.242 56.100 -0.407 0.000 1.083 127 R CB 0.144 30.157 30.300 -0.477 0.000 1.026 127 R HN 0.321 nan 8.270 nan 0.000 0.514 128 K N 0.899 120.921 120.400 -0.630 0.000 2.155 128 K HA 0.100 4.421 4.320 0.000 0.000 0.237 128 K C 0.336 177.134 176.600 0.331 0.000 1.040 128 K CA 0.168 56.403 56.287 -0.086 0.000 0.912 128 K CB 0.753 33.156 32.500 -0.161 0.000 1.137 128 K HN 0.178 nan 8.250 nan 0.000 0.498 129 T N -0.954 113.760 114.554 0.266 0.000 2.652 129 T HA 0.105 4.455 4.350 0.000 0.000 0.319 129 T C 0.796 175.653 174.700 0.262 0.000 1.029 129 T CA -0.255 61.990 62.100 0.242 0.000 0.990 129 T CB 0.427 69.357 68.868 0.104 0.000 1.098 129 T HN 0.387 nan 8.240 nan 0.000 0.520 130 R N 0.395 120.929 120.500 0.055 0.000 2.613 130 R HA 0.251 4.591 4.340 0.000 0.000 0.361 130 R C 0.634 176.743 176.300 -0.319 0.000 1.072 130 R CA -0.200 55.827 56.100 -0.122 0.000 1.089 130 R CB -0.234 29.957 30.300 -0.182 0.000 1.343 130 R HN 0.853 nan 8.270 nan 0.000 0.571 131 S N -0.086 115.313 115.700 -0.501 0.000 2.585 131 S HA 0.166 4.637 4.470 0.000 0.000 0.273 131 S C 1.087 175.327 174.600 -0.599 0.000 1.339 131 S CA -0.459 57.028 58.200 -1.187 0.000 1.028 131 S CB 1.631 64.314 63.200 -0.862 0.000 0.906 131 S HN 0.090 nan 8.310 nan 0.000 0.528 132 V N -1.509 118.082 119.914 -0.537 0.000 2.991 132 V HA 0.309 4.429 4.120 0.000 0.000 0.355 132 V C 0.459 176.540 176.094 -0.021 0.000 1.384 132 V CA -0.530 61.685 62.300 -0.143 0.000 1.171 132 V CB -1.134 30.664 31.823 -0.042 0.000 1.190 132 V HN 0.868 nan 8.190 nan 0.000 0.540 137 L N 1.277 122.488 121.223 -0.021 0.000 2.056 137 L HA 0.199 4.539 4.340 0.000 0.000 0.207 137 L C 0.507 177.371 176.870 -0.011 0.000 1.078 137 L CA 1.160 55.991 54.840 -0.015 0.000 0.749 137 L CB -0.110 41.936 42.059 -0.020 0.000 0.901 137 L HN 0.519 nan 8.230 nan 0.000 0.433 138 c N 0.289 118.871 118.600 -0.029 0.000 2.317 138 c HA 0.413 4.983 4.570 0.000 0.000 0.306 138 c C 0.315 174.404 174.090 -0.003 0.000 1.087 138 c CA -1.313 55.003 56.329 -0.021 0.000 1.529 138 c CB 0.225 42.680 42.510 -0.091 0.000 1.880 138 c HN -0.055 nan 8.230 nan 0.000 0.417 139 V N 3.702 123.661 119.914 0.075 0.000 2.686 139 V HA 0.732 4.852 4.120 0.000 0.000 0.295 139 V C 0.898 177.123 176.094 0.218 0.000 1.055 139 V CA 1.246 63.584 62.300 0.063 0.000 1.050 139 V CB 0.652 32.413 31.823 -0.103 0.000 0.984 139 V HN 1.240 nan 8.190 nan 0.000 0.482 140 G N 3.368 112.236 108.800 0.114 0.000 2.730 140 G HA2 0.019 3.979 3.960 0.000 0.000 0.686 140 G HA3 0.019 3.979 3.960 0.000 0.000 0.686 140 G C -1.118 173.896 174.900 0.190 0.000 1.343 140 G CA -0.446 44.754 45.100 0.166 0.000 0.826 140 G HN 0.905 nan 8.290 nan 0.000 0.582 141 V N 0.964 120.963 119.914 0.141 0.000 2.769 141 V HA 0.553 4.674 4.120 0.000 0.000 0.312 141 V C -0.051 176.097 176.094 0.090 0.000 1.061 141 V CA -0.517 61.855 62.300 0.119 0.000 0.931 141 V CB 1.939 33.756 31.823 -0.010 0.000 1.010 141 V HN 0.938 nan 8.190 nan 0.000 0.433 142 D N 2.806 123.256 120.400 0.083 0.000 2.342 142 D HA 0.241 4.881 4.640 0.000 0.000 0.260 142 D C 0.990 177.410 176.300 0.200 0.000 1.278 142 D CA 0.335 54.429 54.000 0.156 0.000 0.910 142 D CB 1.657 42.539 40.800 0.136 0.000 1.079 142 D HN 0.659 nan 8.370 nan 0.000 0.496 143 A N 4.420 127.369 122.820 0.215 0.000 2.125 143 A HA -0.204 4.117 4.320 0.000 0.000 0.219 143 A C 1.738 179.545 177.584 0.372 0.000 1.156 143 A CA 0.824 52.971 52.037 0.182 0.000 0.671 143 A CB -0.202 18.885 19.000 0.145 0.000 0.794 143 A HN 0.533 nan 8.150 nan 0.000 0.459 144 N N -0.622 118.327 118.700 0.414 0.000 2.295 144 N HA 0.074 4.815 4.740 0.000 0.000 0.221 144 N C 0.805 176.583 175.510 0.447 0.000 1.129 144 N CA 0.069 53.417 53.050 0.498 0.000 0.836 144 N CB 0.076 38.803 38.487 0.400 0.000 1.040 144 N HN 0.209 nan 8.380 nan 0.000 0.494 145 R N -0.964 119.767 120.500 0.385 0.000 2.531 145 R HA 0.232 4.573 4.340 0.000 0.000 0.316 145 R C 0.566 177.062 176.300 0.326 0.000 0.955 145 R CA -0.106 56.167 56.100 0.290 0.000 1.120 145 R CB -0.333 30.064 30.300 0.163 0.000 1.361 145 R HN 0.271 nan 8.270 nan 0.000 0.534 146 N N -0.185 118.715 118.700 0.334 0.000 2.299 146 N HA -0.001 4.739 4.740 0.000 0.000 0.187 146 N C -0.530 175.007 175.510 0.046 0.000 1.099 146 N CA -0.063 53.096 53.050 0.182 0.000 0.867 146 N CB 0.414 38.854 38.487 -0.079 0.000 0.974 146 N HN -0.014 nan 8.380 nan 0.000 0.477 147 W N 1.297 122.647 121.300 0.082 0.000 2.184 147 W HA 0.153 4.813 4.660 0.001 0.000 0.338 147 W C 0.571 177.123 176.519 0.055 0.000 1.257 147 W CA -0.498 56.823 57.345 -0.040 0.000 1.243 147 W CB 0.248 29.706 29.460 -0.003 0.000 1.122 147 W HN -0.059 nan 8.180 nan 0.000 0.585 148 D N 1.968 122.490 120.400 0.204 0.000 2.608 148 D HA 0.384 5.025 4.640 0.000 0.000 0.224 148 D C -0.858 175.625 176.300 0.305 0.000 1.123 148 D CA 0.199 54.317 54.000 0.196 0.000 1.030 148 D CB -0.535 40.341 40.800 0.126 0.000 1.093 148 D HN 0.363 nan 8.370 nan 0.000 0.497 149 A N 1.115 124.052 122.820 0.196 0.000 2.667 149 A HA 0.568 4.888 4.320 0.000 0.000 0.291 149 A C 0.882 178.194 177.584 -0.453 0.000 1.123 149 A CA -0.288 51.719 52.037 -0.049 0.000 0.832 149 A CB 0.532 19.636 19.000 0.173 0.000 1.396 149 A HN 0.460 nan 8.150 nan 0.000 0.401 150 G N 0.991 109.335 108.800 -0.760 0.000 2.225 150 G HA2 -0.223 3.738 3.960 0.000 0.000 0.267 150 G HA3 -0.223 3.738 3.960 0.000 0.000 0.267 150 G C 0.147 174.917 174.900 -0.217 0.000 1.024 150 G CA 0.502 45.149 45.100 -0.755 0.000 0.784 150 G HN 1.828 nan 8.290 nan 0.000 0.507 151 F N 0.810 120.636 119.950 -0.206 0.000 2.602 151 F HA 0.371 4.899 4.527 0.000 0.000 0.385 151 F C 1.561 177.249 175.800 -0.187 0.000 1.063 151 F CA 1.608 59.521 58.000 -0.144 0.000 1.233 151 F CB 0.419 39.344 39.000 -0.125 0.000 1.067 151 F HN 1.043 nan 8.300 nan 0.000 0.564 152 G N 3.899 112.125 108.800 -0.957 0.000 2.241 152 G HA2 -0.247 3.713 3.960 0.000 0.000 0.244 152 G HA3 -0.247 3.713 3.960 0.000 0.000 0.244 152 G C 0.548 175.304 174.900 -0.239 0.000 0.998 152 G CA 0.031 44.667 45.100 -0.773 0.000 0.621 152 G HN 0.608 nan 8.290 nan 0.000 0.519 153 K N 1.094 121.407 120.400 -0.145 0.000 2.132 153 K HA 0.619 4.940 4.320 0.000 0.000 0.240 153 K C 1.149 177.752 176.600 0.004 0.000 1.036 153 K CA 0.184 56.453 56.287 -0.030 0.000 0.888 153 K CB 0.047 32.562 32.500 0.025 0.000 1.071 153 K HN 0.916 nan 8.250 nan 0.000 0.502 154 A N -0.193 122.643 122.820 0.027 0.000 2.587 154 A HA 0.305 4.625 4.320 0.000 0.000 0.233 154 A C 1.164 178.768 177.584 0.034 0.000 1.049 154 A CA 1.196 53.248 52.037 0.024 0.000 0.754 154 A CB -0.810 18.205 19.000 0.026 0.000 0.977 154 A HN 0.893 nan 8.150 nan 0.000 0.509 155 G N -0.236 108.568 108.800 0.006 0.000 2.159 155 G HA2 0.301 4.261 3.960 0.000 0.000 0.227 155 G HA3 0.301 4.261 3.960 0.000 0.000 0.227 155 G C 0.224 175.120 174.900 -0.006 0.000 0.986 155 G CA 0.559 45.658 45.100 -0.002 0.000 0.651 155 G HN 2.473 nan 8.290 nan 0.000 0.523 156 A N -0.943 121.874 122.820 -0.005 0.000 2.539 156 A HA 0.907 5.228 4.320 0.000 0.000 0.296 156 A C -0.176 177.382 177.584 -0.043 0.000 1.073 156 A CA 0.546 52.578 52.037 -0.009 0.000 0.700 156 A CB 1.620 20.645 19.000 0.042 0.000 1.296 156 A HN 1.553 nan 8.150 nan 0.000 0.405 157 S N -0.071 115.544 115.700 -0.141 0.000 2.525 157 S HA 0.470 4.940 4.470 0.000 0.000 0.290 157 S C 1.121 175.472 174.600 -0.415 0.000 1.152 157 S CA 0.187 58.286 58.200 -0.168 0.000 1.072 157 S CB 0.901 64.043 63.200 -0.096 0.000 1.027 157 S HN 1.576 nan 8.310 nan 0.000 0.500 158 S N 2.583 118.145 115.700 -0.230 0.000 2.631 158 S HA 0.135 4.605 4.470 0.000 0.000 0.217 158 S C 0.583 175.197 174.600 0.024 0.000 0.958 158 S CA -0.226 57.897 58.200 -0.127 0.000 0.920 158 S CB -0.122 63.127 63.200 0.082 0.000 0.776 158 S HN 0.551 nan 8.310 nan 0.000 0.517 159 S N 2.043 117.706 115.700 -0.062 0.000 2.429 159 S HA 0.487 4.957 4.470 0.000 0.000 0.302 159 S C -2.077 172.210 174.600 -0.523 0.000 1.115 159 S CA -1.671 56.400 58.200 -0.214 0.000 1.095 159 S CB 1.265 64.381 63.200 -0.141 0.000 0.987 159 S HN -0.014 nan 8.310 nan 0.000 0.474 160 P HA -0.025 nan 4.420 nan 0.000 0.219 160 P C 0.815 177.834 177.300 -0.469 0.000 1.146 160 P CA 0.968 63.376 63.100 -1.154 0.000 0.808 160 P CB -0.027 31.235 31.700 -0.731 0.000 0.779 161 c N -1.446 116.980 118.600 -0.291 0.000 2.562 161 c HA 0.131 4.701 4.570 0.000 0.000 0.266 161 c C 1.494 175.506 174.090 -0.130 0.000 1.382 161 c CA 0.080 56.316 56.329 -0.156 0.000 1.742 161 c CB -1.659 40.783 42.510 -0.113 0.000 1.812 161 c HN 0.266 nan 8.230 nan 0.000 0.559 162 S N 0.559 116.176 115.700 -0.139 0.000 2.687 162 S HA 0.325 4.796 4.470 0.000 0.000 0.283 162 S C 0.627 175.162 174.600 -0.110 0.000 1.170 162 S CA -0.295 57.839 58.200 -0.111 0.000 1.008 162 S CB 0.947 64.089 63.200 -0.097 0.000 1.026 162 S HN 0.304 nan 8.310 nan 0.000 0.541 163 E N 0.927 121.045 120.200 -0.137 0.000 2.347 163 E HA -0.030 4.320 4.350 0.000 0.000 0.196 163 E C 1.138 177.663 176.600 -0.125 0.000 1.008 163 E CA 1.277 57.569 56.400 -0.180 0.000 0.852 163 E CB -0.294 29.277 29.700 -0.214 0.000 0.783 163 E HN 0.908 nan 8.360 nan 0.000 0.505 164 T N -1.973 112.530 114.554 -0.085 0.000 3.243 164 T HA 0.047 4.397 4.350 0.000 0.000 0.264 164 T C 0.299 174.984 174.700 -0.025 0.000 1.000 164 T CA -0.665 61.407 62.100 -0.047 0.000 0.901 164 T CB -0.702 68.118 68.868 -0.079 0.000 1.083 164 T HN -0.072 nan 8.240 nan 0.000 0.559 165 Y N 4.725 124.930 120.300 -0.157 0.000 2.804 165 Y HA 0.052 4.602 4.550 0.000 0.000 0.338 165 Y C 1.361 177.187 175.900 -0.125 0.000 1.252 165 Y CA -0.777 57.193 58.100 -0.216 0.000 1.576 165 Y CB 0.168 38.531 38.460 -0.162 0.000 1.223 165 Y HN 0.498 nan 8.280 nan 0.000 0.536 166 H N 3.786 122.581 119.070 -0.458 0.000 2.547 166 H HA 0.361 4.917 4.556 0.000 0.000 0.272 166 H C 1.175 176.219 175.328 -0.474 0.000 0.989 166 H CA -0.203 55.593 56.048 -0.421 0.000 1.214 166 H CB -0.485 28.928 29.762 -0.581 0.000 1.389 166 H HN 0.873 nan 8.280 nan 0.000 0.577 167 G N 0.328 108.501 108.800 -1.045 0.000 2.728 167 G HA2 -0.260 3.700 3.960 0.000 0.000 0.294 167 G HA3 -0.260 3.700 3.960 0.000 0.000 0.294 167 G C 0.434 175.297 174.900 -0.062 0.000 1.342 167 G CA -0.132 44.580 45.100 -0.647 0.000 0.866 167 G HN 0.331 nan 8.290 nan 0.000 0.534 168 K N -0.631 119.759 120.400 -0.018 0.000 2.167 168 K HA 0.169 4.489 4.320 0.000 0.000 0.203 168 K C 0.724 177.475 176.600 0.251 0.000 1.052 168 K CA 1.999 58.391 56.287 0.174 0.000 0.956 168 K CB 0.009 32.630 32.500 0.202 0.000 0.735 168 K HN 0.752 nan 8.250 nan 0.000 0.451 169 Y N -3.671 116.630 120.300 0.002 0.000 2.677 169 Y HA 0.511 5.061 4.550 0.000 0.000 0.334 169 Y C -1.372 174.049 175.900 -0.799 0.000 1.196 169 Y CA -1.991 55.872 58.100 -0.395 0.000 1.059 169 Y CB 0.557 38.865 38.460 -0.254 0.000 1.315 169 Y HN -0.184 nan 8.280 nan 0.000 0.455 170 A N 1.892 123.949 122.820 -1.272 0.000 2.520 170 A HA 0.355 4.675 4.320 0.000 0.000 0.245 170 A C 0.407 177.738 177.584 -0.422 0.000 1.072 170 A CA 0.554 52.004 52.037 -0.979 0.000 0.761 170 A CB -1.169 17.353 19.000 -0.796 0.000 1.004 170 A HN 1.103 nan 8.150 nan 0.000 0.499 171 N N 0.312 118.753 118.700 -0.431 0.000 2.925 171 N HA -0.262 4.478 4.740 0.000 0.000 0.244 171 N C 1.126 176.446 175.510 -0.316 0.000 1.000 171 N CA 0.819 53.647 53.050 -0.369 0.000 0.895 171 N CB -1.433 36.898 38.487 -0.260 0.000 1.119 171 N HN 0.976 nan 8.380 nan 0.000 0.569 172 S N -0.372 114.994 115.700 -0.556 0.000 2.419 172 S HA -0.136 4.334 4.470 0.000 0.000 0.233 172 S C 0.611 175.040 174.600 -0.285 0.000 1.016 172 S CA 0.849 58.651 58.200 -0.663 0.000 0.974 172 S CB 0.167 62.701 63.200 -1.109 0.000 0.786 172 S HN 0.213 nan 8.310 nan 0.000 0.492 173 E N 1.549 121.594 120.200 -0.258 0.000 2.152 173 E HA 0.242 4.592 4.350 0.000 0.000 0.285 173 E C 0.916 177.434 176.600 -0.135 0.000 1.043 173 E CA -0.199 56.112 56.400 -0.149 0.000 0.839 173 E CB 1.563 31.180 29.700 -0.137 0.000 1.069 173 E HN 0.109 nan 8.360 nan 0.000 0.399 174 V N 3.888 123.777 119.914 -0.042 0.000 2.469 174 V HA -0.323 3.798 4.120 0.000 0.000 0.251 174 V C 1.374 177.432 176.094 -0.060 0.000 1.064 174 V CA 2.137 64.415 62.300 -0.036 0.000 1.066 174 V CB -0.005 31.830 31.823 0.021 0.000 0.667 174 V HN 0.557 nan 8.190 nan 0.000 0.461 175 E N -0.379 119.798 120.200 -0.039 0.000 2.153 175 E HA -0.151 4.199 4.350 0.000 0.000 0.194 175 E C 2.029 178.567 176.600 -0.104 0.000 0.988 175 E CA 1.609 57.999 56.400 -0.018 0.000 0.811 175 E CB -0.273 29.453 29.700 0.042 0.000 0.746 175 E HN 0.565 nan 8.360 nan 0.000 0.466 176 V N 0.606 120.355 119.914 -0.276 0.000 2.331 176 V HA -0.149 3.971 4.120 0.000 0.000 0.242 176 V C 2.243 177.947 176.094 -0.650 0.000 1.034 176 V CA 1.449 63.352 62.300 -0.661 0.000 1.027 176 V CB -0.374 30.867 31.823 -0.970 0.000 0.667 176 V HN 0.169 nan 8.190 nan 0.000 0.457 177 K N 0.467 120.605 120.400 -0.436 0.000 2.074 177 K HA -0.220 4.100 4.320 0.000 0.000 0.209 177 K C 2.295 178.772 176.600 -0.206 0.000 1.048 177 K CA 2.044 58.144 56.287 -0.312 0.000 0.926 177 K CB -0.235 32.158 32.500 -0.179 0.000 0.713 177 K HN 0.444 nan 8.250 nan 0.000 0.444 178 S N 1.004 116.623 115.700 -0.134 0.000 2.370 178 S HA -0.156 4.314 4.470 0.000 0.000 0.226 178 S C 1.907 176.500 174.600 -0.012 0.000 1.033 178 S CA 1.601 59.779 58.200 -0.036 0.000 1.011 178 S CB -0.263 62.935 63.200 -0.003 0.000 0.852 178 S HN 0.296 nan 8.310 nan 0.000 0.457 179 I N 0.961 121.477 120.570 -0.090 0.000 2.202 179 I HA -0.130 4.041 4.170 0.000 0.000 0.242 179 I C 2.218 178.240 176.117 -0.157 0.000 1.091 179 I CA 0.713 61.944 61.300 -0.115 0.000 1.368 179 I CB -0.569 37.408 38.000 -0.038 0.000 1.058 179 I HN 0.124 nan 8.210 nan 0.000 0.410 180 V N 1.117 120.824 119.914 -0.344 0.000 2.231 180 V HA -0.357 3.763 4.120 0.000 0.000 0.248 180 V C 2.137 178.223 176.094 -0.012 0.000 1.054 180 V CA 2.299 64.376 62.300 -0.373 0.000 1.015 180 V CB -0.742 30.725 31.823 -0.592 0.000 0.638 180 V HN 0.417 nan 8.190 nan 0.000 0.444 181 D N -0.799 119.596 120.400 -0.010 0.000 2.123 181 D HA -0.182 4.458 4.640 0.000 0.000 0.196 181 D C 1.863 178.246 176.300 0.138 0.000 0.992 181 D CA 1.357 55.399 54.000 0.071 0.000 0.833 181 D CB -0.375 40.460 40.800 0.059 0.000 0.954 181 D HN 0.468 nan 8.370 nan 0.000 0.455 182 F N 1.227 121.187 119.950 0.017 0.000 2.102 182 F HA -0.189 4.338 4.527 0.000 0.000 0.298 182 F C 2.210 178.084 175.800 0.123 0.000 1.105 182 F CA 1.020 59.060 58.000 0.066 0.000 1.239 182 F CB -0.234 38.795 39.000 0.049 0.000 0.991 182 F HN -0.213 nan 8.300 nan 0.000 0.474 183 V N 0.575 120.537 119.914 0.079 0.000 2.358 183 V HA -0.265 3.856 4.120 0.000 0.000 0.246 183 V C 2.293 178.508 176.094 0.202 0.000 1.047 183 V CA 2.060 64.388 62.300 0.045 0.000 1.035 183 V CB -0.635 31.168 31.823 -0.034 0.000 0.658 183 V HN 0.266 nan 8.190 nan 0.000 0.452 184 K N -0.099 120.425 120.400 0.207 0.000 2.025 184 K HA -0.169 4.151 4.320 0.000 0.000 0.207 184 K C 1.936 178.595 176.600 0.098 0.000 1.049 184 K CA 1.701 58.090 56.287 0.170 0.000 0.933 184 K CB -0.355 32.256 32.500 0.185 0.000 0.714 184 K HN 0.392 nan 8.250 nan 0.000 0.438 185 D N -0.012 120.421 120.400 0.055 0.000 2.149 185 D HA -0.180 4.460 4.640 0.000 0.000 0.198 185 D C 1.830 178.111 176.300 -0.033 0.000 0.990 185 D CA 1.309 55.311 54.000 0.003 0.000 0.839 185 D CB -0.297 40.496 40.800 -0.012 0.000 0.948 185 D HN 0.367 nan 8.370 nan 0.000 0.460 186 H N -0.613 118.349 119.070 -0.180 0.000 2.299 186 H HA -0.034 4.523 4.556 0.000 0.000 0.302 186 H C 1.581 176.862 175.328 -0.079 0.000 1.078 186 H CA 2.452 58.377 56.048 -0.206 0.000 1.323 186 H CB -0.107 29.479 29.762 -0.294 0.000 1.381 186 H HN 0.194 nan 8.280 nan 0.000 0.498 187 G N -0.111 108.840 108.800 0.253 0.000 2.212 187 G HA2 -0.365 3.595 3.960 0.000 0.000 0.266 187 G HA3 -0.365 3.595 3.960 0.000 0.000 0.266 187 G C 0.804 175.833 174.900 0.215 0.000 0.978 187 G CA 0.749 45.952 45.100 0.172 0.000 0.632 187 G HN 0.574 nan 8.290 nan 0.000 0.537 188 N N -0.425 118.523 118.700 0.414 0.000 2.365 188 N HA 0.368 5.108 4.740 0.000 0.000 0.257 188 N C -0.283 175.320 175.510 0.156 0.000 1.287 188 N CA -0.596 52.604 53.050 0.250 0.000 0.882 188 N CB 0.025 38.590 38.487 0.130 0.000 1.250 188 N HN 0.193 nan 8.380 nan 0.000 0.507 189 F N 0.590 120.632 119.950 0.153 0.000 2.456 189 F HA 0.209 4.737 4.527 0.000 0.000 0.358 189 F C 1.666 177.585 175.800 0.199 0.000 1.095 189 F CA -0.169 57.912 58.000 0.134 0.000 1.216 189 F CB 1.460 40.545 39.000 0.142 0.000 1.125 189 F HN -0.065 nan 8.300 nan 0.000 0.549 190 K N 2.369 123.009 120.400 0.400 0.000 2.313 190 K HA 0.453 4.773 4.320 0.000 0.000 0.197 190 K C -0.201 176.703 176.600 0.506 0.000 1.061 190 K CA 0.463 56.977 56.287 0.379 0.000 0.980 190 K CB 0.585 33.267 32.500 0.303 0.000 0.888 190 K HN 0.610 nan 8.250 nan 0.000 0.502 191 A N -0.092 123.052 122.820 0.540 0.000 2.454 191 A HA 0.695 5.015 4.320 0.000 0.000 0.302 191 A C -1.768 176.224 177.584 0.680 0.000 1.079 191 A CA -0.567 51.830 52.037 0.601 0.000 0.731 191 A CB 0.843 20.149 19.000 0.510 0.000 1.299 191 A HN 0.153 nan 8.150 nan 0.000 0.413 192 F N 1.971 122.217 119.950 0.492 0.000 2.745 192 F HA 0.577 5.104 4.527 0.000 0.000 0.343 192 F C -1.610 174.505 175.800 0.526 0.000 1.196 192 F CA -0.646 57.659 58.000 0.508 0.000 1.021 192 F CB 1.187 40.381 39.000 0.324 0.000 1.297 192 F HN 0.438 nan 8.300 nan 0.000 0.486 193 L N 5.170 126.674 121.223 0.468 0.000 2.305 193 L HA 0.570 4.910 4.340 0.000 0.000 0.284 193 L C -0.226 176.890 176.870 0.410 0.000 1.013 193 L CA -0.679 54.479 54.840 0.529 0.000 0.819 193 L CB 1.763 44.135 42.059 0.522 0.000 1.227 193 L HN 0.436 nan 8.230 nan 0.000 0.417 194 S N 4.355 120.375 115.700 0.532 0.000 2.462 194 S HA 0.626 5.096 4.470 0.000 0.000 0.294 194 S C -0.241 174.683 174.600 0.539 0.000 1.144 194 S CA -0.541 57.950 58.200 0.485 0.000 1.088 194 S CB 1.415 64.949 63.200 0.558 0.000 1.009 194 S HN 0.287 nan 8.310 nan 0.000 0.484 195 I N 4.167 124.951 120.570 0.356 0.000 2.362 195 I HA 0.443 4.613 4.170 0.000 0.000 0.289 195 I C 0.291 176.529 176.117 0.201 0.000 0.994 195 I CA -0.302 61.195 61.300 0.329 0.000 1.158 195 I CB 0.756 38.839 38.000 0.138 0.000 1.315 195 I HN 0.627 nan 8.210 nan 0.000 0.451 196 H N 3.141 122.386 119.070 0.291 0.000 2.908 196 H HA 0.689 5.245 4.556 0.000 0.000 0.350 196 H C -0.461 175.050 175.328 0.305 0.000 1.217 196 H CA -0.604 55.625 56.048 0.300 0.000 1.168 196 H CB 2.720 32.664 29.762 0.303 0.000 1.891 196 H HN 0.627 nan 8.280 nan 0.000 0.566 197 S N 0.209 116.198 115.700 0.482 0.000 2.588 197 S HA 0.571 5.041 4.470 0.000 0.000 0.275 197 S C -1.437 173.404 174.600 0.401 0.000 1.130 197 S CA -0.828 57.623 58.200 0.419 0.000 0.855 197 S CB 1.968 65.420 63.200 0.421 0.000 1.116 197 S HN 0.634 nan 8.310 nan 0.000 0.472 198 Y N -1.284 119.065 120.300 0.082 0.000 2.662 198 Y HA 0.927 5.477 4.550 0.000 0.000 0.335 198 Y C 0.658 176.526 175.900 -0.053 0.000 1.066 198 Y CA -0.833 57.263 58.100 -0.008 0.000 1.116 198 Y CB 1.431 39.811 38.460 -0.133 0.000 1.308 198 Y HN 0.696 nan 8.280 nan 0.000 0.502 199 S N -1.510 114.248 115.700 0.097 0.000 2.026 199 S HA -0.079 4.391 4.470 0.000 0.000 0.121 199 S C -0.660 173.849 174.600 -0.153 0.000 0.593 199 S CA 0.205 58.385 58.200 -0.033 0.000 1.663 199 S CB -0.611 62.488 63.200 -0.167 0.000 0.929 199 S HN 0.799 nan 8.310 nan 0.000 0.407 200 Q N 0.612 120.227 119.800 -0.309 0.000 2.447 200 Q HA -0.123 4.218 4.340 0.000 0.000 0.316 200 Q C -1.217 174.249 176.000 -0.890 0.000 1.448 200 Q CA 0.810 56.020 55.803 -0.989 0.000 0.804 200 Q CB -1.402 26.893 28.738 -0.738 0.000 1.107 200 Q HN 0.580 nan 8.270 nan 0.000 0.373 201 L N 0.621 121.583 121.223 -0.435 0.000 2.371 201 L HA 0.771 5.111 4.340 0.000 0.000 0.262 201 L C -0.875 176.104 176.870 0.181 0.000 1.006 201 L CA -1.284 53.521 54.840 -0.058 0.000 0.818 201 L CB 1.600 43.601 42.059 -0.096 0.000 1.354 201 L HN 0.157 nan 8.230 nan 0.000 0.415 202 L N 3.080 124.396 121.223 0.155 0.000 2.372 202 L HA 0.631 4.971 4.340 0.000 0.000 0.274 202 L C -1.312 175.579 176.870 0.035 0.000 0.988 202 L CA -0.044 54.775 54.840 -0.035 0.000 0.833 202 L CB 1.441 43.385 42.059 -0.192 0.000 1.236 202 L HN 0.394 nan 8.230 nan 0.000 0.410 203 L N 5.550 126.787 121.223 0.023 0.000 2.346 203 L HA 0.617 4.957 4.340 0.000 0.000 0.274 203 L C -0.980 175.919 176.870 0.048 0.000 1.007 203 L CA -0.903 53.898 54.840 -0.064 0.000 0.818 203 L CB 1.772 43.766 42.059 -0.110 0.000 1.284 203 L HN 0.634 nan 8.230 nan 0.000 0.424 204 Y N 0.733 121.008 120.300 -0.043 0.000 2.630 204 Y HA 0.798 5.348 4.550 0.000 0.000 0.337 204 Y C -2.837 172.878 175.900 -0.308 0.000 1.051 204 Y CA -3.718 54.216 58.100 -0.276 0.000 1.121 204 Y CB -0.037 38.171 38.460 -0.420 0.000 1.299 204 Y HN 0.279 nan 8.280 nan 0.000 0.498 205 P HA 0.088 nan 4.420 nan 0.000 0.271 205 P C -1.360 175.695 177.300 -0.409 0.000 1.233 205 P CA 0.299 63.151 63.100 -0.413 0.000 0.789 205 P CB 0.343 31.536 31.700 -0.845 0.000 0.951 206 Y N -1.026 119.157 120.300 -0.195 0.000 2.496 206 Y HA 0.495 5.045 4.550 0.000 0.000 0.331 206 Y C 1.804 177.611 175.900 -0.156 0.000 1.140 206 Y CA 0.043 58.017 58.100 -0.210 0.000 1.166 206 Y CB 0.752 38.966 38.460 -0.410 0.000 1.249 206 Y HN 0.419 nan 8.280 nan 0.000 0.479 207 G N -0.199 108.687 108.800 0.143 0.000 2.595 207 G HA2 -0.159 3.801 3.960 0.000 0.000 0.213 207 G HA3 -0.159 3.801 3.960 0.000 0.000 0.213 207 G C 1.073 176.052 174.900 0.132 0.000 1.141 207 G CA 0.389 45.557 45.100 0.112 0.000 0.806 207 G HN 0.792 nan 8.290 nan 0.000 0.530 208 Y N 0.048 120.400 120.300 0.086 0.000 2.490 208 Y HA 0.438 4.988 4.550 0.000 0.000 0.285 208 Y C 0.733 176.627 175.900 -0.010 0.000 1.117 208 Y CA 0.505 58.619 58.100 0.024 0.000 1.262 208 Y CB 0.009 38.467 38.460 -0.004 0.000 1.043 208 Y HN 0.018 nan 8.280 nan 0.000 0.553 209 T N -0.085 114.214 114.554 -0.424 0.000 2.900 209 T HA 0.264 4.614 4.350 0.000 0.000 0.303 209 T C 0.708 175.309 174.700 -0.165 0.000 1.142 209 T CA -0.054 61.844 62.100 -0.337 0.000 1.007 209 T CB 1.522 70.024 68.868 -0.611 0.000 1.156 209 T HN 0.283 nan 8.240 nan 0.000 0.490 210 T N 0.953 115.457 114.554 -0.083 0.000 3.113 210 T HA 0.127 4.477 4.350 0.000 0.000 0.256 210 T C 0.674 175.362 174.700 -0.019 0.000 1.131 210 T CA 0.070 62.148 62.100 -0.038 0.000 1.074 210 T CB -0.033 68.821 68.868 -0.023 0.000 0.944 210 T HN 0.517 nan 8.240 nan 0.000 0.516 211 Q N 2.280 122.063 119.800 -0.028 0.000 2.300 211 Q HA 0.234 4.574 4.340 0.000 0.000 0.280 211 Q C -0.113 175.934 176.000 0.078 0.000 1.033 211 Q CA 0.267 56.081 55.803 0.019 0.000 0.903 211 Q CB 0.858 29.598 28.738 0.003 0.000 1.195 211 Q HN 0.313 nan 8.270 nan 0.000 0.386 212 S N 2.387 118.114 115.700 0.045 0.000 2.548 212 S HA 0.263 4.733 4.470 0.000 0.000 0.277 212 S C 0.662 175.262 174.600 -0.000 0.000 1.315 212 S CA -0.628 57.581 58.200 0.014 0.000 1.050 212 S CB 0.173 63.374 63.200 0.003 0.000 0.918 212 S HN 0.481 nan 8.310 nan 0.000 0.497 213 I N 2.148 122.631 120.570 -0.145 0.000 2.754 213 I HA 0.258 4.428 4.170 0.000 0.000 0.285 213 I C -1.423 174.648 176.117 -0.077 0.000 1.166 213 I CA -1.634 59.537 61.300 -0.215 0.000 1.417 213 I CB 0.164 37.743 38.000 -0.701 0.000 1.382 213 I HN 0.388 nan 8.210 nan 0.000 0.588 214 P HA -0.149 nan 4.420 nan 0.000 0.221 214 P C 0.340 177.631 177.300 -0.015 0.000 1.145 214 P CA 1.332 64.445 63.100 0.023 0.000 0.795 214 P CB -0.017 31.715 31.700 0.052 0.000 0.775 215 D N -0.380 120.003 120.400 -0.029 0.000 2.491 215 D HA 0.026 4.667 4.640 0.000 0.000 0.228 215 D C 1.626 177.796 176.300 -0.215 0.000 1.183 215 D CA -0.110 53.836 54.000 -0.090 0.000 0.827 215 D CB 0.255 41.023 40.800 -0.053 0.000 0.989 215 D HN 0.273 nan 8.370 nan 0.000 0.494 216 K N 0.813 121.081 120.400 -0.220 0.000 2.032 216 K HA -0.154 4.166 4.320 0.000 0.000 0.209 216 K C 1.564 177.998 176.600 -0.276 0.000 1.048 216 K CA 1.371 57.475 56.287 -0.305 0.000 0.927 216 K CB 0.168 32.579 32.500 -0.148 0.000 0.712 216 K HN -0.075 nan 8.250 nan 0.000 0.441 217 T N 0.847 115.316 114.554 -0.142 0.000 2.684 217 T HA -0.188 4.163 4.350 0.000 0.000 0.267 217 T C 1.712 176.354 174.700 -0.095 0.000 1.036 217 T CA 1.733 63.782 62.100 -0.086 0.000 1.148 217 T CB -0.234 68.612 68.868 -0.037 0.000 0.863 217 T HN 0.443 nan 8.240 nan 0.000 0.436 218 E N 0.587 120.732 120.200 -0.091 0.000 2.051 218 E HA -0.084 4.266 4.350 0.000 0.000 0.192 218 E C 2.218 178.753 176.600 -0.108 0.000 0.991 218 E CA 0.826 57.193 56.400 -0.055 0.000 0.799 218 E CB -0.163 29.546 29.700 0.015 0.000 0.748 218 E HN 0.400 nan 8.360 nan 0.000 0.449 219 L N 1.156 122.249 121.223 -0.216 0.000 2.093 219 L HA -0.172 4.168 4.340 0.000 0.000 0.208 219 L C 2.644 179.386 176.870 -0.214 0.000 1.085 219 L CA 0.926 55.636 54.840 -0.216 0.000 0.755 219 L CB -0.743 40.948 42.059 -0.612 0.000 0.904 219 L HN 0.334 nan 8.230 nan 0.000 0.435 220 N N -0.138 118.329 118.700 -0.389 0.000 2.166 220 N HA -0.235 4.506 4.740 0.000 0.000 0.186 220 N C 1.923 177.409 175.510 -0.041 0.000 1.019 220 N CA 1.163 54.175 53.050 -0.063 0.000 0.856 220 N CB 0.127 38.631 38.487 0.027 0.000 0.993 220 N HN 0.341 nan 8.380 nan 0.000 0.426 221 Q N 0.911 120.661 119.800 -0.084 0.000 2.079 221 Q HA -0.054 4.287 4.340 0.000 0.000 0.200 221 Q C 2.187 178.077 176.000 -0.184 0.000 0.974 221 Q CA 0.889 56.631 55.803 -0.102 0.000 0.840 221 Q CB -0.262 28.437 28.738 -0.065 0.000 0.898 221 Q HN 0.232 nan 8.270 nan 0.000 0.430 222 V N 1.146 120.932 119.914 -0.213 0.000 2.343 222 V HA -0.274 3.846 4.120 0.000 0.000 0.247 222 V C 2.473 178.372 176.094 -0.325 0.000 1.051 222 V CA 1.836 63.960 62.300 -0.293 0.000 1.036 222 V CB -1.173 30.519 31.823 -0.219 0.000 0.654 222 V HN 0.380 nan 8.190 nan 0.000 0.451 223 A N -0.196 122.470 122.820 -0.256 0.000 1.898 223 A HA -0.256 4.064 4.320 0.000 0.000 0.216 223 A C 2.332 179.511 177.584 -0.675 0.000 1.181 223 A CA 2.138 53.957 52.037 -0.363 0.000 0.620 223 A CB -0.503 18.502 19.000 0.008 0.000 0.819 223 A HN 0.528 nan 8.150 nan 0.000 0.442 224 K N 0.043 119.920 120.400 -0.873 0.000 2.020 224 K HA -0.170 4.151 4.320 0.000 0.000 0.212 224 K C 2.222 178.594 176.600 -0.379 0.000 1.050 224 K CA 1.944 57.742 56.287 -0.815 0.000 0.929 224 K CB -0.229 32.014 32.500 -0.428 0.000 0.714 224 K HN 0.459 nan 8.250 nan 0.000 0.443 225 S N 0.549 116.083 115.700 -0.276 0.000 2.356 225 S HA -0.150 4.321 4.470 0.000 0.000 0.223 225 S C 2.102 176.584 174.600 -0.198 0.000 1.032 225 S CA 1.203 59.290 58.200 -0.187 0.000 1.005 225 S CB -0.364 62.748 63.200 -0.146 0.000 0.867 225 S HN 0.536 nan 8.310 nan 0.000 0.449 226 A N 1.106 123.776 122.820 -0.250 0.000 1.930 226 A HA -0.009 4.312 4.320 0.000 0.000 0.217 226 A C 2.349 179.816 177.584 -0.195 0.000 1.175 226 A CA 1.309 53.214 52.037 -0.220 0.000 0.627 226 A CB -0.863 17.980 19.000 -0.261 0.000 0.815 226 A HN 0.335 nan 8.150 nan 0.000 0.443 227 V N -0.232 119.550 119.914 -0.218 0.000 2.358 227 V HA -0.229 3.891 4.120 0.000 0.000 0.246 227 V C 3.040 179.074 176.094 -0.100 0.000 1.047 227 V CA 1.846 64.056 62.300 -0.149 0.000 1.035 227 V CB -1.016 30.781 31.823 -0.042 0.000 0.658 227 V HN 0.618 nan 8.190 nan 0.000 0.452 228 A N -0.111 122.649 122.820 -0.100 0.000 1.902 228 A HA -0.128 4.192 4.320 0.000 0.000 0.217 228 A C 2.419 179.955 177.584 -0.081 0.000 1.181 228 A CA 2.112 54.111 52.037 -0.065 0.000 0.623 228 A CB -0.772 18.191 19.000 -0.063 0.000 0.818 228 A HN 0.565 nan 8.150 nan 0.000 0.443 229 A N -0.388 122.365 122.820 -0.112 0.000 1.877 229 A HA -0.047 4.273 4.320 0.000 0.000 0.216 229 A C 2.224 179.727 177.584 -0.136 0.000 1.186 229 A CA 1.491 53.453 52.037 -0.125 0.000 0.620 229 A CB -0.697 18.213 19.000 -0.149 0.000 0.822 229 A HN 0.603 nan 8.150 nan 0.000 0.443 230 L N -0.408 120.724 121.223 -0.150 0.000 1.990 230 L HA -0.246 4.094 4.340 0.000 0.000 0.213 230 L C 2.569 179.367 176.870 -0.120 0.000 1.072 230 L CA 2.497 57.237 54.840 -0.165 0.000 0.755 230 L CB -0.301 41.588 42.059 -0.284 0.000 0.889 230 L HN 0.473 nan 8.230 nan 0.000 0.432 231 K N -0.507 119.845 120.400 -0.080 0.000 2.147 231 K HA -0.197 4.123 4.320 0.000 0.000 0.205 231 K C 2.160 178.741 176.600 -0.031 0.000 1.049 231 K CA 1.484 57.764 56.287 -0.011 0.000 0.936 231 K CB -0.124 32.393 32.500 0.027 0.000 0.722 231 K HN 0.585 nan 8.250 nan 0.000 0.446 232 S N 0.561 116.221 115.700 -0.066 0.000 2.442 232 S HA -0.156 4.314 4.470 0.000 0.000 0.236 232 S C 1.897 176.430 174.600 -0.112 0.000 1.007 232 S CA 0.760 58.917 58.200 -0.070 0.000 0.965 232 S CB -0.327 62.828 63.200 -0.076 0.000 0.773 232 S HN 0.342 nan 8.310 nan 0.000 0.504 233 L N -0.967 120.137 121.223 -0.198 0.000 2.022 233 L HA 0.069 4.410 4.340 0.000 0.000 0.204 233 L C 1.541 178.164 176.870 -0.412 0.000 1.076 233 L CA 1.557 56.144 54.840 -0.420 0.000 0.749 233 L CB -0.177 41.480 42.059 -0.671 0.000 0.903 233 L HN 0.373 nan 8.230 nan 0.000 0.439 234 Y N -1.068 119.242 120.300 0.017 0.000 2.557 234 Y HA 0.353 4.904 4.550 0.000 0.000 0.247 234 Y C 1.247 177.166 175.900 0.033 0.000 1.164 234 Y CA -0.011 58.103 58.100 0.023 0.000 1.218 234 Y CB 0.347 38.820 38.460 0.021 0.000 1.210 234 Y HN 0.308 nan 8.280 nan 0.000 0.529 235 G N 0.717 109.594 108.800 0.128 0.000 2.147 235 G HA2 -0.275 3.685 3.960 0.000 0.000 0.244 235 G HA3 -0.275 3.685 3.960 0.000 0.000 0.244 235 G C 0.060 175.036 174.900 0.128 0.000 1.005 235 G CA 0.355 45.518 45.100 0.106 0.000 0.713 235 G HN 0.235 nan 8.290 nan 0.000 0.515 236 T N 1.587 116.239 114.554 0.162 0.000 2.779 236 T HA 0.476 4.826 4.350 0.000 0.000 0.296 236 T C 0.699 175.545 174.700 0.243 0.000 0.938 236 T CA 0.444 62.670 62.100 0.210 0.000 1.119 236 T CB 1.321 70.357 68.868 0.281 0.000 0.891 236 T HN 0.283 nan 8.240 nan 0.000 0.526 237 S N 2.925 118.754 115.700 0.215 0.000 2.499 237 S HA 0.401 4.871 4.470 0.000 0.000 0.275 237 S C -0.728 174.056 174.600 0.308 0.000 1.257 237 S CA -0.502 57.828 58.200 0.217 0.000 1.050 237 S CB 0.075 63.348 63.200 0.121 0.000 0.937 237 S HN 0.496 nan 8.310 nan 0.000 0.490 238 Y N 1.785 122.138 120.300 0.088 0.000 2.509 238 Y HA 0.493 5.043 4.550 0.000 0.000 0.341 238 Y C 0.570 176.531 175.900 0.102 0.000 1.038 238 Y CA -0.969 57.188 58.100 0.096 0.000 1.089 238 Y CB 1.326 39.853 38.460 0.112 0.000 1.241 238 Y HN 0.467 nan 8.280 nan 0.000 0.468 239 K N 1.679 122.176 120.400 0.161 0.000 2.238 239 K HA 0.590 4.910 4.320 0.000 0.000 0.239 239 K C -1.707 174.978 176.600 0.141 0.000 0.987 239 K CA -0.949 55.382 56.287 0.072 0.000 0.857 239 K CB 2.313 34.774 32.500 -0.066 0.000 1.154 239 K HN 0.624 nan 8.250 nan 0.000 0.439 240 Y N -2.721 117.582 120.300 0.004 0.000 2.597 240 Y HA 0.769 5.319 4.550 0.000 0.000 0.340 240 Y C -0.289 175.567 175.900 -0.074 0.000 1.097 240 Y CA -0.980 57.111 58.100 -0.014 0.000 1.037 240 Y CB 1.826 40.321 38.460 0.059 0.000 1.305 240 Y HN 0.751 nan 8.280 nan 0.000 0.463 241 G N 0.304 109.028 108.800 -0.128 0.000 2.359 241 G HA2 0.417 4.378 3.960 0.000 0.000 0.293 241 G HA3 0.417 4.378 3.960 0.000 0.000 0.293 241 G C -1.264 172.990 174.900 -1.076 0.000 1.300 241 G CA -0.620 44.203 45.100 -0.461 0.000 0.888 241 G HN 1.357 nan 8.290 nan 0.000 0.541 242 S N -0.676 114.446 115.700 -0.963 0.000 2.579 242 S HA 0.369 4.839 4.470 0.000 0.000 0.275 242 S C 1.761 176.112 174.600 -0.414 0.000 1.345 242 S CA 0.178 57.941 58.200 -0.729 0.000 1.031 242 S CB 0.793 63.813 63.200 -0.299 0.000 0.892 242 S HN 0.741 nan 8.310 nan 0.000 0.529 243 I N 1.675 122.065 120.570 -0.301 0.000 2.113 243 I HA -0.232 3.938 4.170 0.000 0.000 0.242 243 I C 2.401 178.425 176.117 -0.156 0.000 1.064 243 I CA 1.849 63.028 61.300 -0.200 0.000 1.320 243 I CB -0.391 37.544 38.000 -0.107 0.000 1.028 243 I HN 0.740 nan 8.210 nan 0.000 0.406 244 I N 0.541 121.052 120.570 -0.097 0.000 2.361 244 I HA -0.290 3.880 4.170 0.000 0.000 0.251 244 I C 2.474 178.553 176.117 -0.063 0.000 1.133 244 I CA 1.955 63.230 61.300 -0.043 0.000 1.413 244 I CB -0.049 37.940 38.000 -0.019 0.000 1.073 244 I HN 0.426 nan 8.210 nan 0.000 0.424 245 T N -4.495 109.994 114.554 -0.107 0.000 3.057 245 T HA 0.068 4.418 4.350 0.000 0.000 0.254 245 T C 1.385 176.008 174.700 -0.128 0.000 1.094 245 T CA 0.940 62.979 62.100 -0.102 0.000 1.088 245 T CB -0.015 68.792 68.868 -0.102 0.000 0.934 245 T HN 0.210 nan 8.240 nan 0.000 0.497 246 T N 0.993 115.443 114.554 -0.173 0.000 2.978 246 T HA 0.391 4.741 4.350 0.000 0.000 0.248 246 T C 1.344 175.916 174.700 -0.214 0.000 1.018 246 T CA 0.262 62.248 62.100 -0.190 0.000 1.026 246 T CB 0.088 68.824 68.868 -0.220 0.000 1.032 246 T HN 0.473 nan 8.240 nan 0.000 0.485 247 I N -0.973 119.426 120.570 -0.284 0.000 3.818 247 I HA 0.436 4.606 4.170 0.000 0.000 0.242 247 I C 0.006 175.936 176.117 -0.311 0.000 1.111 247 I CA -0.514 60.521 61.300 -0.442 0.000 1.576 247 I CB 0.216 37.682 38.000 -0.890 0.000 1.572 247 I HN 0.265 nan 8.210 nan 0.000 0.450 248 Y N -1.213 119.050 120.300 -0.061 0.000 2.774 248 Y HA 0.462 5.012 4.550 0.000 0.000 0.346 248 Y C -0.762 175.120 175.900 -0.030 0.000 1.222 248 Y CA -1.452 56.622 58.100 -0.044 0.000 1.088 248 Y CB 0.349 38.785 38.460 -0.040 0.000 1.354 248 Y HN 0.082 nan 8.280 nan 0.000 0.455 249 Q N 1.497 121.455 119.800 0.263 0.000 2.311 249 Q HA 0.582 4.922 4.340 0.000 0.000 0.272 249 Q C -1.007 175.128 176.000 0.226 0.000 1.012 249 Q CA 0.318 56.226 55.803 0.176 0.000 0.891 249 Q CB 0.801 29.594 28.738 0.091 0.000 1.201 249 Q HN 0.834 nan 8.270 nan 0.000 0.391 250 A N 3.207 126.155 122.820 0.214 0.000 2.442 250 A HA 0.501 4.822 4.320 0.000 0.000 0.284 250 A C -0.969 176.738 177.584 0.206 0.000 1.058 250 A CA -0.599 51.565 52.037 0.213 0.000 0.738 250 A CB 1.244 20.416 19.000 0.288 0.000 1.242 250 A HN 0.736 nan 8.150 nan 0.000 0.421 251 S N 1.193 116.994 115.700 0.169 0.000 2.593 251 S HA 0.735 5.205 4.470 0.000 0.000 0.297 251 S C 0.840 175.534 174.600 0.158 0.000 1.112 251 S CA 0.114 58.418 58.200 0.173 0.000 1.043 251 S CB 1.475 64.728 63.200 0.087 0.000 1.054 251 S HN 2.578 nan 8.310 nan 0.000 0.516 252 G N 0.835 109.739 108.800 0.173 0.000 2.176 252 G HA2 -0.035 3.925 3.960 0.000 0.000 0.252 252 G HA3 -0.035 3.925 3.960 0.000 0.000 0.252 252 G C 0.438 175.577 174.900 0.398 0.000 1.024 252 G CA -0.150 45.131 45.100 0.301 0.000 0.755 252 G HN 1.333 nan 8.290 nan 0.000 0.507 253 G N -0.636 108.324 108.800 0.266 0.000 2.504 253 G HA2 0.650 4.611 3.960 0.000 0.000 0.288 253 G HA3 0.650 4.611 3.960 0.000 0.000 0.288 253 G C 1.225 175.989 174.900 -0.226 0.000 1.182 253 G CA 0.752 45.917 45.100 0.110 0.000 0.894 253 G HN 1.186 nan 8.290 nan 0.000 0.521 254 S N 0.554 115.825 115.700 -0.714 0.000 2.356 254 S HA -0.203 4.267 4.470 0.000 0.000 0.223 254 S C 2.312 176.588 174.600 -0.540 0.000 1.032 254 S CA 1.523 58.940 58.200 -1.306 0.000 1.005 254 S CB -0.562 62.011 63.200 -1.046 0.000 0.867 254 S HN 0.839 nan 8.310 nan 0.000 0.449 255 I N -0.223 120.244 120.570 -0.172 0.000 2.761 255 I HA 0.033 4.204 4.170 0.000 0.000 0.261 255 I C 1.309 177.426 176.117 0.000 0.000 1.198 255 I CA 1.212 62.470 61.300 -0.070 0.000 1.482 255 I CB -0.385 37.669 38.000 0.090 0.000 1.100 255 I HN -0.056 nan 8.210 nan 0.000 0.445 256 D N 1.100 121.572 120.400 0.119 0.000 2.097 256 D HA -0.199 4.441 4.640 0.000 0.000 0.197 256 D C 1.593 178.071 176.300 0.296 0.000 0.984 256 D CA 1.482 55.698 54.000 0.359 0.000 0.826 256 D CB -0.448 40.677 40.800 0.543 0.000 0.973 256 D HN 0.651 nan 8.370 nan 0.000 0.460 257 W N 2.190 123.498 121.300 0.014 0.000 2.333 257 W HA -0.264 4.397 4.660 0.001 0.000 0.316 257 W C 2.688 179.128 176.519 -0.132 0.000 1.215 257 W CA 3.021 60.359 57.345 -0.012 0.000 1.278 257 W CB -0.547 28.956 29.460 0.072 0.000 1.154 257 W HN 0.033 nan 8.180 nan 0.000 0.486 258 S N -0.958 114.509 115.700 -0.389 0.000 2.370 258 S HA -0.354 4.116 4.470 0.000 0.000 0.226 258 S C 1.894 176.219 174.600 -0.458 0.000 1.033 258 S CA 1.445 59.192 58.200 -0.756 0.000 1.011 258 S CB -1.626 60.884 63.200 -1.150 0.000 0.852 258 S HN 0.496 nan 8.310 nan 0.000 0.457 259 Y N 3.283 123.388 120.300 -0.325 0.000 2.181 259 Y HA -0.063 4.488 4.550 0.000 0.000 0.288 259 Y C 2.024 177.808 175.900 -0.193 0.000 1.146 259 Y CA 1.872 59.837 58.100 -0.226 0.000 1.164 259 Y CB -0.577 37.761 38.460 -0.203 0.000 0.982 259 Y HN 0.229 nan 8.280 nan 0.000 0.515 260 N N -0.117 118.523 118.700 -0.100 0.000 2.459 260 N HA -0.125 4.615 4.740 0.000 0.000 0.181 260 N C 1.403 176.724 175.510 -0.315 0.000 1.046 260 N CA 0.863 53.836 53.050 -0.127 0.000 0.904 260 N CB -0.230 38.271 38.487 0.023 0.000 0.964 260 N HN 0.485 nan 8.380 nan 0.000 0.444 261 Q N -0.588 118.901 119.800 -0.517 0.000 2.435 261 Q HA 0.105 4.445 4.340 0.000 0.000 0.207 261 Q C 0.924 176.717 176.000 -0.345 0.000 0.956 261 Q CA 0.731 56.229 55.803 -0.508 0.000 0.917 261 Q CB 0.190 28.440 28.738 -0.814 0.000 0.997 261 Q HN 0.461 nan 8.270 nan 0.000 0.497 262 G N 0.881 109.452 108.800 -0.381 0.000 2.163 262 G HA2 -0.206 3.754 3.960 0.000 0.000 0.213 262 G HA3 -0.206 3.754 3.960 0.000 0.000 0.213 262 G C 0.123 174.860 174.900 -0.273 0.000 0.991 262 G CA -0.268 44.631 45.100 -0.334 0.000 0.653 262 G HN 0.300 nan 8.290 nan 0.000 0.518 263 I N 1.612 122.030 120.570 -0.253 0.000 2.278 263 I HA 0.181 4.351 4.170 0.000 0.000 0.296 263 I C 1.629 177.693 176.117 -0.089 0.000 1.121 263 I CA -0.114 61.147 61.300 -0.065 0.000 1.267 263 I CB 1.042 39.071 38.000 0.049 0.000 1.447 263 I HN 0.155 nan 8.210 nan 0.000 0.509 264 K N 4.977 125.284 120.400 -0.155 0.000 2.026 264 K HA -0.151 4.169 4.320 0.000 0.000 0.208 264 K C 0.281 176.756 176.600 -0.208 0.000 1.048 264 K CA 1.518 57.635 56.287 -0.283 0.000 0.929 264 K CB 0.067 32.258 32.500 -0.515 0.000 0.713 264 K HN 0.451 nan 8.250 nan 0.000 0.439 265 Y N 1.346 121.760 120.300 0.190 0.000 2.735 265 Y HA 0.166 4.716 4.550 0.000 0.000 0.354 265 Y C -0.403 175.652 175.900 0.259 0.000 1.288 265 Y CA -0.326 57.931 58.100 0.262 0.000 1.836 265 Y CB 0.302 39.011 38.460 0.415 0.000 1.920 265 Y HN -0.149 nan 8.280 nan 0.000 0.438 266 S N 2.408 118.116 115.700 0.013 0.000 2.422 266 S HA 0.632 5.102 4.470 0.000 0.000 0.308 266 S C -0.837 173.636 174.600 -0.211 0.000 1.097 266 S CA -0.457 57.802 58.200 0.099 0.000 1.099 266 S CB 0.170 63.425 63.200 0.092 0.000 0.976 266 S HN 0.294 nan 8.310 nan 0.000 0.471 267 F N 0.771 120.920 119.950 0.332 0.000 2.588 267 F HA 0.449 4.976 4.527 0.000 0.000 0.310 267 F C 0.380 176.351 175.800 0.284 0.000 1.082 267 F CA -0.723 57.420 58.000 0.238 0.000 0.929 267 F CB 2.208 41.315 39.000 0.178 0.000 1.254 267 F HN 0.198 nan 8.300 nan 0.000 0.455 268 T N 2.811 117.581 114.554 0.360 0.000 2.786 268 T HA 0.489 4.839 4.350 0.000 0.000 0.283 268 T C -0.934 173.925 174.700 0.265 0.000 0.992 268 T CA -0.414 61.892 62.100 0.343 0.000 0.954 268 T CB 0.311 69.284 68.868 0.175 0.000 0.934 268 T HN 0.162 nan 8.240 nan 0.000 0.440 269 F N 2.555 122.703 119.950 0.330 0.000 2.410 269 F HA 0.343 4.870 4.527 0.000 0.000 0.348 269 F C 1.094 177.073 175.800 0.297 0.000 1.106 269 F CA -0.683 57.510 58.000 0.322 0.000 1.163 269 F CB 0.935 40.131 39.000 0.326 0.000 1.129 269 F HN 0.319 nan 8.300 nan 0.000 0.516 270 E N 5.074 125.500 120.200 0.376 0.000 2.113 270 E HA 0.327 4.677 4.350 0.000 0.000 0.273 270 E C -0.136 176.633 176.600 0.281 0.000 0.924 270 E CA -0.264 56.297 56.400 0.269 0.000 0.764 270 E CB 1.538 31.275 29.700 0.061 0.000 1.104 270 E HN 0.536 nan 8.360 nan 0.000 0.406 271 L N 1.595 123.021 121.223 0.338 0.000 2.682 271 L HA 0.383 4.723 4.340 0.000 0.000 0.209 271 L C 1.254 178.253 176.870 0.216 0.000 1.195 271 L CA -0.813 54.232 54.840 0.342 0.000 0.869 271 L CB 0.177 42.418 42.059 0.303 0.000 1.599 271 L HN 0.253 nan 8.230 nan 0.000 0.518 272 R N 0.498 121.126 120.500 0.213 0.000 2.756 272 R HA -0.004 4.336 4.340 0.000 0.000 0.264 272 R C -0.637 175.742 176.300 0.131 0.000 1.026 272 R CA -0.157 56.028 56.100 0.142 0.000 1.121 272 R CB 0.244 30.626 30.300 0.137 0.000 0.999 272 R HN 0.626 nan 8.270 nan 0.000 0.449 273 D N -0.450 119.959 120.400 0.015 0.000 2.424 273 D HA 0.031 4.671 4.640 0.000 0.000 0.239 273 D C 0.712 177.026 176.300 0.023 0.000 1.246 273 D CA -0.211 53.785 54.000 -0.007 0.000 1.129 273 D CB -0.314 40.468 40.800 -0.029 0.000 1.199 273 D HN 0.475 nan 8.370 nan 0.000 0.584 274 T N -5.209 109.326 114.554 -0.033 0.000 3.182 274 T HA 0.564 4.915 4.350 0.000 0.000 0.277 274 T C 1.123 175.827 174.700 0.007 0.000 1.013 274 T CA 0.183 62.319 62.100 0.060 0.000 0.900 274 T CB 0.034 68.910 68.868 0.014 0.000 1.098 274 T HN 0.890 nan 8.240 nan 0.000 0.543 275 G N 1.693 110.276 108.800 -0.362 0.000 2.367 275 G HA2 -0.212 3.748 3.960 0.000 0.000 0.181 275 G HA3 -0.212 3.748 3.960 0.000 0.000 0.181 275 G C 0.888 175.566 174.900 -0.371 0.000 1.000 275 G CA 0.188 45.039 45.100 -0.416 0.000 0.693 275 G HN 0.476 nan 8.290 nan 0.000 0.480 276 R N -0.448 119.856 120.500 -0.327 0.000 2.088 276 R HA -0.024 4.316 4.340 0.000 0.000 0.232 276 R C 2.054 178.025 176.300 -0.548 0.000 1.136 276 R CA 2.299 58.151 56.100 -0.414 0.000 0.926 276 R CB -0.269 29.777 30.300 -0.423 0.000 0.837 276 R HN 0.452 nan 8.270 nan 0.000 0.429 277 Y N -0.584 119.573 120.300 -0.238 0.000 2.503 277 Y HA 0.251 4.801 4.550 0.000 0.000 0.277 277 Y C 1.667 177.359 175.900 -0.348 0.000 1.102 277 Y CA 0.560 58.528 58.100 -0.219 0.000 1.261 277 Y CB -0.006 38.372 38.460 -0.136 0.000 1.096 277 Y HN 0.518 nan 8.280 nan 0.000 0.546 278 G N 0.962 109.435 108.800 -0.545 0.000 2.622 278 G HA2 -0.398 3.563 3.960 0.000 0.000 0.307 278 G HA3 -0.398 3.563 3.960 0.000 0.000 0.307 278 G C 0.790 175.373 174.900 -0.528 0.000 1.226 278 G CA 0.781 45.173 45.100 -1.180 0.000 0.997 278 G HN 0.228 nan 8.290 nan 0.000 0.551 279 F N -0.153 119.780 119.950 -0.028 0.000 2.365 279 F HA 0.214 4.741 4.527 0.001 0.000 0.300 279 F C 2.243 177.988 175.800 -0.092 0.000 1.090 279 F CA 0.771 58.792 58.000 0.035 0.000 1.408 279 F CB -0.178 38.839 39.000 0.029 0.000 1.060 279 F HN 0.104 nan 8.300 nan 0.000 0.534 280 L N 0.850 122.100 121.223 0.046 0.000 2.805 280 L HA 0.196 4.536 4.340 0.000 0.000 0.237 280 L C 0.099 176.983 176.870 0.023 0.000 1.252 280 L CA -0.562 54.258 54.840 -0.033 0.000 1.064 280 L CB -1.667 40.384 42.059 -0.012 0.000 1.361 280 L HN 0.008 nan 8.230 nan 0.000 0.474 281 L N 3.267 124.526 121.223 0.060 0.000 2.578 281 L HA 0.108 4.448 4.340 0.000 0.000 0.279 281 L C -1.684 175.219 176.870 0.054 0.000 1.227 281 L CA -0.491 54.381 54.840 0.054 0.000 0.900 281 L CB -0.084 42.056 42.059 0.135 0.000 1.144 281 L HN 0.111 nan 8.230 nan 0.000 0.496 282 P HA 0.023 nan 4.420 nan 0.000 0.269 282 P C -0.042 177.270 177.300 0.021 0.000 1.209 282 P CA 0.083 63.114 63.100 -0.114 0.000 0.776 282 P CB 0.688 32.188 31.700 -0.333 0.000 0.876 283 A N 2.947 125.791 122.820 0.040 0.000 1.978 283 A HA -0.194 4.126 4.320 0.000 0.000 0.220 283 A C 2.112 179.582 177.584 -0.189 0.000 1.170 283 A CA 2.190 54.099 52.037 -0.214 0.000 0.636 283 A CB -1.628 17.263 19.000 -0.183 0.000 0.810 283 A HN 0.658 nan 8.150 nan 0.000 0.448 284 S N -0.779 114.845 115.700 -0.128 0.000 2.507 284 S HA -0.143 4.327 4.470 0.000 0.000 0.235 284 S C 1.484 176.009 174.600 -0.125 0.000 0.988 284 S CA 1.187 59.317 58.200 -0.117 0.000 0.944 284 S CB -0.297 62.842 63.200 -0.102 0.000 0.762 284 S HN 0.728 nan 8.310 nan 0.000 0.526 285 Q N -0.038 119.689 119.800 -0.122 0.000 2.319 285 Q HA 0.363 4.704 4.340 0.000 0.000 0.202 285 Q C 1.459 177.396 176.000 -0.105 0.000 0.896 285 Q CA -0.144 55.596 55.803 -0.105 0.000 0.942 285 Q CB -0.106 28.591 28.738 -0.069 0.000 1.083 285 Q HN 0.581 nan 8.270 nan 0.000 0.510 286 I N 0.769 121.252 120.570 -0.146 0.000 2.076 286 I HA -0.323 3.847 4.170 0.000 0.000 0.237 286 I C 2.013 178.001 176.117 -0.216 0.000 1.059 286 I CA 1.188 62.387 61.300 -0.169 0.000 1.317 286 I CB -0.261 37.594 38.000 -0.242 0.000 1.037 286 I HN 0.242 nan 8.210 nan 0.000 0.398 287 I N 0.697 121.140 120.570 -0.211 0.000 2.127 287 I HA -0.185 3.986 4.170 0.000 0.000 0.241 287 I C -0.106 175.811 176.117 -0.333 0.000 1.075 287 I CA 2.126 63.238 61.300 -0.315 0.000 1.334 287 I CB -2.936 35.007 38.000 -0.095 0.000 1.040 287 I HN 0.156 nan 8.210 nan 0.000 0.405 288 P HA -0.097 nan 4.420 nan 0.000 0.216 288 P C 1.791 179.091 177.300 -0.000 0.000 1.150 288 P CA 1.649 64.683 63.100 -0.110 0.000 0.837 288 P CB -0.198 31.317 31.700 -0.308 0.000 0.786 289 T N -0.464 114.047 114.554 -0.072 0.000 2.708 289 T HA -0.135 4.215 4.350 0.000 0.000 0.266 289 T C 1.936 176.572 174.700 -0.106 0.000 1.037 289 T CA 1.746 63.836 62.100 -0.016 0.000 1.146 289 T CB -0.996 67.875 68.868 0.005 0.000 0.865 289 T HN 0.052 nan 8.240 nan 0.000 0.435 290 A N 1.291 123.911 122.820 -0.332 0.000 1.902 290 A HA -0.155 4.165 4.320 0.000 0.000 0.217 290 A C 2.304 179.545 177.584 -0.572 0.000 1.181 290 A CA 1.547 53.275 52.037 -0.516 0.000 0.623 290 A CB -0.684 17.754 19.000 -0.938 0.000 0.818 290 A HN 0.540 nan 8.150 nan 0.000 0.443 291 Q N -0.385 118.964 119.800 -0.752 0.000 2.061 291 Q HA -0.236 4.105 4.340 0.000 0.000 0.204 291 Q C 2.170 178.165 176.000 -0.009 0.000 0.984 291 Q CA 1.854 57.444 55.803 -0.355 0.000 0.846 291 Q CB -0.253 28.429 28.738 -0.093 0.000 0.902 291 Q HN 0.960 nan 8.270 nan 0.000 0.421 292 E N -0.207 119.994 120.200 0.001 0.000 2.107 292 E HA -0.123 4.227 4.350 0.000 0.000 0.191 292 E C 1.648 178.245 176.600 -0.004 0.000 0.982 292 E CA 1.522 57.909 56.400 -0.023 0.000 0.809 292 E CB -0.197 29.521 29.700 0.029 0.000 0.756 292 E HN 0.132 nan 8.360 nan 0.000 0.459 293 T N 1.052 115.639 114.554 0.056 0.000 2.821 293 T HA -0.183 4.167 4.350 0.000 0.000 0.267 293 T C 1.256 176.047 174.700 0.151 0.000 1.046 293 T CA 1.175 63.318 62.100 0.071 0.000 1.139 293 T CB -0.591 68.328 68.868 0.085 0.000 0.871 293 T HN 0.431 nan 8.240 nan 0.000 0.454 294 W N 1.731 123.087 121.300 0.092 0.000 2.318 294 W HA -0.224 4.436 4.660 0.000 0.000 0.313 294 W C 1.489 177.945 176.519 -0.105 0.000 1.221 294 W CA 0.656 57.963 57.345 -0.064 0.000 1.266 294 W CB -0.425 29.079 29.460 0.074 0.000 1.150 294 W HN 0.170 nan 8.180 nan 0.000 0.496 295 L N 1.541 122.596 121.223 -0.279 0.000 2.043 295 L HA -0.154 4.187 4.340 0.000 0.000 0.212 295 L C 2.919 179.584 176.870 -0.342 0.000 1.075 295 L CA 2.492 57.100 54.840 -0.387 0.000 0.752 295 L CB -1.688 40.248 42.059 -0.205 0.000 0.891 295 L HN 0.119 nan 8.230 nan 0.000 0.432 296 G N -1.501 107.183 108.800 -0.195 0.000 2.394 296 G HA2 -0.136 3.824 3.960 0.000 0.000 0.215 296 G HA3 -0.136 3.824 3.960 0.000 0.000 0.215 296 G C 1.641 176.516 174.900 -0.042 0.000 1.165 296 G CA 0.839 45.897 45.100 -0.071 0.000 0.784 296 G HN 0.242 nan 8.290 nan 0.000 0.535 297 V N 0.802 120.636 119.914 -0.135 0.000 2.295 297 V HA -0.138 3.983 4.120 0.000 0.000 0.246 297 V C 2.690 178.580 176.094 -0.339 0.000 1.049 297 V CA 1.643 63.852 62.300 -0.152 0.000 1.024 297 V CB -0.500 31.230 31.823 -0.155 0.000 0.648 297 V HN 0.345 nan 8.190 nan 0.000 0.447 298 L N 0.209 120.966 121.223 -0.775 0.000 2.012 298 L HA -0.197 4.143 4.340 0.000 0.000 0.210 298 L C 2.492 179.138 176.870 -0.372 0.000 1.073 298 L CA 2.659 57.029 54.840 -0.784 0.000 0.748 298 L CB -1.178 40.156 42.059 -1.209 0.000 0.891 298 L HN 0.382 nan 8.230 nan 0.000 0.431 299 T N 0.091 114.455 114.554 -0.316 0.000 2.665 299 T HA -0.240 4.110 4.350 0.000 0.000 0.268 299 T C 1.963 176.574 174.700 -0.147 0.000 1.035 299 T CA 2.268 64.248 62.100 -0.199 0.000 1.151 299 T CB -0.445 68.309 68.868 -0.189 0.000 0.862 299 T HN 0.372 nan 8.240 nan 0.000 0.438 300 I N 0.452 120.929 120.570 -0.155 0.000 2.226 300 I HA -0.178 3.992 4.170 0.000 0.000 0.245 300 I C 2.556 178.634 176.117 -0.065 0.000 1.100 300 I CA 1.345 62.570 61.300 -0.125 0.000 1.374 300 I CB -0.367 37.559 38.000 -0.125 0.000 1.057 300 I HN 0.253 nan 8.210 nan 0.000 0.413 301 M N -0.016 119.545 119.600 -0.065 0.000 2.117 301 M HA -0.220 4.261 4.480 0.000 0.000 0.262 301 M C 2.143 178.402 176.300 -0.067 0.000 1.065 301 M CA 1.824 57.100 55.300 -0.040 0.000 1.114 301 M CB -0.434 32.151 32.600 -0.025 0.000 1.361 301 M HN 0.178 nan 8.290 nan 0.000 0.408 302 E N -0.845 119.306 120.200 -0.081 0.000 2.077 302 E HA -0.250 4.100 4.350 0.000 0.000 0.193 302 E C 1.830 178.374 176.600 -0.094 0.000 0.989 302 E CA 1.359 57.712 56.400 -0.079 0.000 0.800 302 E CB -0.288 29.365 29.700 -0.078 0.000 0.746 302 E HN 0.569 nan 8.360 nan 0.000 0.452 303 H N -0.070 118.897 119.070 -0.171 0.000 2.457 303 H HA -0.039 4.517 4.556 0.000 0.000 0.294 303 H C 1.891 177.004 175.328 -0.359 0.000 1.064 303 H CA 1.750 57.674 56.048 -0.207 0.000 1.330 303 H CB 0.205 29.859 29.762 -0.180 0.000 1.395 303 H HN 0.010 nan 8.280 nan 0.000 0.541 304 T N -0.096 114.268 114.554 -0.316 0.000 2.737 304 T HA -0.080 4.271 4.350 0.000 0.000 0.265 304 T C 1.144 175.737 174.700 -0.179 0.000 1.038 304 T CA 0.886 62.741 62.100 -0.408 0.000 1.144 304 T CB -0.299 68.449 68.868 -0.199 0.000 0.866 304 T HN 0.113 nan 8.240 nan 0.000 0.434 305 V N 0.000 119.841 119.914 -0.122 0.000 2.409 305 V HA 0.000 4.120 4.120 0.000 0.000 0.244 305 V CA 0.000 62.255 62.300 -0.075 0.000 1.235 305 V CB 0.000 31.785 31.823 -0.063 0.000 1.184 305 V HN 0.000 nan 8.190 nan 0.000 0.556