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 2jti_1_A DATA FIRST_RESID 1 DATA SEQUENCE TTPLVHVASV EKGRSYEDFQ KVYNAIALKL REDDEYDNYI GYGPVLVRLA DATA SEQUENCE WHISGTWDKH DNTGGSYGGT YRFKKEFNDP SNAGLQNGFK FLEPIHKEFP DATA SEQUENCE WISSGDLFSL GGVTAVQEMQ GPKIPWRCGR VDTPEDTTPD NGRLPDADKD DATA SEQUENCE AGYVRTFFQR LNMNDREVVA LMGAHALGKT HLKNSGYEGP WGAANNVFTN DATA SEQUENCE EFYLNLLNED WKLEKNDANN EQWDSKSGYM MLPTDYSLIQ DPKYLSIVKE DATA SEQUENCE YANDQDKFFK DFSKAFEKLL ENGITFPKDA PSPFIFKTLE EQGL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 T HA 0.000 4.339 4.350 -0.019 0.000 0.228 1 T C 0.000 174.684 174.700 -0.027 0.000 1.109 1 T CA 0.000 62.087 62.100 -0.021 0.000 1.349 1 T CB 0.000 68.856 68.868 -0.021 0.000 0.612 2 T N 1.589 116.127 114.554 -0.028 0.000 0.541 2 T HA -0.149 4.183 4.350 -0.030 0.000 0.774 2 T C -2.219 172.454 174.700 -0.045 0.000 0.992 2 T CA -0.078 62.002 62.100 -0.034 0.000 4.077 2 T CB 0.928 69.776 68.868 -0.033 0.000 2.303 2 T HN -0.266 7.959 8.240 -0.024 0.000 0.398 3 P HA -0.002 4.377 4.420 -0.068 0.000 0.275 3 P C -1.196 176.040 177.300 -0.106 0.000 1.270 3 P CA -0.172 62.883 63.100 -0.076 0.000 0.791 3 P CB 0.769 32.422 31.700 -0.077 0.000 1.089 4 L N -0.984 120.147 121.223 -0.153 0.000 2.452 4 L HA -0.013 4.232 4.340 -0.157 0.000 0.267 4 L C 0.245 176.904 176.870 -0.353 0.000 1.188 4 L CA 0.031 54.730 54.840 -0.235 0.000 0.821 4 L CB 0.257 42.155 42.059 -0.269 0.000 1.102 4 L HN -0.270 7.878 8.230 -0.138 0.000 0.470 5 V N 0.200 119.920 119.914 -0.322 0.000 2.448 5 V HA 0.084 3.999 4.120 -0.342 0.000 0.295 5 V C -1.078 174.818 176.094 -0.330 0.000 1.025 5 V CA -0.567 61.552 62.300 -0.301 0.000 0.859 5 V CB 1.354 33.084 31.823 -0.156 0.000 0.988 5 V HN -0.194 7.858 8.190 -0.229 0.000 0.431 6 H N 8.378 127.227 119.070 -0.369 0.000 2.725 6 H HA 0.310 4.425 4.556 -0.734 0.000 0.283 6 H C -1.498 173.460 175.328 -0.618 0.000 1.110 6 H CA -2.062 53.521 56.048 -0.776 0.000 1.289 6 H CB -0.566 28.405 29.762 -1.318 0.000 1.400 6 H HN 0.623 8.673 8.280 -0.382 0.000 0.493 7 V N 4.764 124.545 119.914 -0.222 0.000 2.465 7 V HA 0.661 4.942 4.120 -0.233 -0.301 0.279 7 V C -0.335 175.746 176.094 -0.022 0.000 1.045 7 V CA -1.022 61.192 62.300 -0.142 0.000 0.938 7 V CB 1.037 32.829 31.823 -0.051 0.000 0.986 7 V HN 0.366 8.484 8.190 -0.121 0.000 0.467 8 A N 7.894 130.614 122.820 -0.167 0.000 2.450 8 A HA -0.078 4.436 4.320 0.094 -0.137 0.255 8 A C -1.517 176.088 177.584 0.035 0.000 1.096 8 A CA -0.030 51.953 52.037 -0.090 0.000 0.778 8 A CB 0.722 19.445 19.000 -0.461 0.000 1.031 8 A HN 0.454 8.398 8.150 -0.343 0.000 0.494 9 S N 3.429 119.182 115.700 0.088 0.000 2.659 9 S HA 0.258 4.783 4.470 0.091 0.000 0.312 9 S C -0.212 174.464 174.600 0.126 0.000 1.114 9 S CA -1.749 56.509 58.200 0.098 0.000 1.063 9 S CB 1.205 64.462 63.200 0.096 0.000 0.996 9 S HN 0.456 8.723 8.310 0.093 0.100 0.478 10 V N 8.742 128.745 119.914 0.149 0.000 2.901 10 V HA -0.280 3.991 4.120 0.252 0.000 0.307 10 V C -0.381 175.841 176.094 0.213 0.000 1.084 10 V CA 1.167 63.596 62.300 0.215 0.000 1.184 10 V CB 0.671 32.633 31.823 0.232 0.000 0.941 10 V HN 0.466 8.736 8.190 0.133 0.000 0.493 11 E N 4.746 125.130 120.200 0.307 0.000 2.384 11 E HA -0.117 4.360 4.350 0.211 0.000 0.266 11 E C -0.344 176.335 176.600 0.131 0.000 1.012 11 E CA -0.038 56.515 56.400 0.256 0.000 0.901 11 E CB 0.358 30.300 29.700 0.404 0.000 0.967 11 E HN -0.018 8.606 8.360 0.441 0.000 0.435 12 K N 5.798 126.248 120.400 0.083 0.000 2.365 12 K HA -0.289 4.054 4.320 0.039 0.000 0.268 12 K C 0.709 177.285 176.600 -0.040 0.000 1.173 12 K CA 1.223 57.525 56.287 0.025 0.000 1.204 12 K CB -0.086 32.426 32.500 0.020 0.000 0.832 12 K HN 0.627 8.940 8.250 0.105 0.000 0.481 13 G N 3.769 112.558 108.800 -0.018 0.000 2.352 13 G HA2 -0.374 3.584 3.960 -0.004 0.000 0.283 13 G HA3 -0.374 3.551 3.960 -0.059 0.000 0.283 13 G C -0.622 174.198 174.900 -0.133 0.000 0.946 13 G CA 0.685 45.757 45.100 -0.047 0.000 1.317 13 G HN 0.524 8.826 8.290 0.021 0.000 0.478 14 R N 2.099 122.535 120.500 -0.106 0.000 2.943 14 R HA 0.261 4.445 4.340 -0.419 -0.095 0.246 14 R C -1.553 174.691 176.300 -0.094 0.000 1.201 14 R CA -2.537 53.383 56.100 -0.299 0.000 1.056 14 R CB 3.691 33.673 30.300 -0.530 0.000 1.243 14 R HN -0.499 7.779 8.270 0.015 0.000 0.498 15 S N -3.584 112.026 115.700 -0.150 0.000 2.703 15 S HA 0.222 4.828 4.470 0.226 0.000 0.273 15 S C -0.631 173.975 174.600 0.010 0.000 1.178 15 S CA -1.151 57.085 58.200 0.061 0.000 0.838 15 S CB 1.226 64.445 63.200 0.030 0.000 1.178 15 S HN -0.197 7.956 8.310 -0.414 -0.091 0.494 16 Y N 2.368 122.540 120.300 -0.213 0.000 1.993 16 Y HA -0.482 3.610 4.550 -0.763 0.000 0.267 16 Y C 1.587 177.454 175.900 -0.056 0.000 1.155 16 Y CA 3.310 61.172 58.100 -0.397 0.000 1.105 16 Y CB -0.432 37.806 38.460 -0.369 0.000 0.960 16 Y HN 0.471 8.823 8.280 0.120 0.000 0.486 17 E N -2.862 117.131 120.200 -0.345 0.000 2.136 17 E HA -0.503 3.557 4.350 -0.484 0.000 0.208 17 E C 2.608 179.028 176.600 -0.300 0.000 1.035 17 E CA 3.746 59.947 56.400 -0.333 0.000 0.838 17 E CB -0.686 28.938 29.700 -0.127 0.000 0.748 17 E HN 0.340 8.685 8.360 -0.025 0.000 0.459 18 D N -1.700 118.500 120.400 -0.333 0.000 2.144 18 D HA -0.239 4.201 4.640 -0.333 0.000 0.199 18 D C 2.519 178.576 176.300 -0.404 0.000 0.984 18 D CA 3.293 57.021 54.000 -0.453 0.000 0.834 18 D CB -0.056 40.265 40.800 -0.799 0.000 0.955 18 D HN -0.622 7.481 8.370 -0.299 0.087 0.465 19 F N -1.578 118.297 119.950 -0.125 0.000 2.512 19 F HA -0.061 4.373 4.527 -0.155 0.000 0.296 19 F C 1.732 177.274 175.800 -0.430 0.000 1.110 19 F CA 1.863 59.770 58.000 -0.155 0.000 1.446 19 F CB -0.077 38.989 39.000 0.110 0.000 1.092 19 F HN 0.281 8.296 8.300 -0.251 0.134 0.554 20 Q N 0.282 119.931 119.800 -0.251 0.000 2.369 20 Q HA -0.339 3.748 4.340 -0.422 0.000 0.206 20 Q C 1.713 177.584 176.000 -0.215 0.000 0.963 20 Q CA 3.070 58.690 55.803 -0.305 0.000 0.894 20 Q CB -0.430 28.079 28.738 -0.380 0.000 0.965 20 Q HN 0.238 8.217 8.270 -0.294 0.115 0.475 21 K N -0.085 120.172 120.400 -0.239 0.000 2.076 21 K HA -0.207 4.065 4.320 -0.080 0.000 0.204 21 K C 2.220 178.653 176.600 -0.278 0.000 1.051 21 K CA 3.411 59.587 56.287 -0.185 0.000 0.949 21 K CB -0.080 32.336 32.500 -0.140 0.000 0.726 21 K HN -0.534 7.496 8.250 -0.271 0.057 0.443 22 V N -0.256 119.338 119.914 -0.533 0.000 2.407 22 V HA -0.422 3.340 4.120 -0.598 0.000 0.248 22 V C 1.522 177.454 176.094 -0.270 0.000 1.055 22 V CA 4.097 66.049 62.300 -0.580 0.000 1.049 22 V CB -0.567 30.869 31.823 -0.644 0.000 0.662 22 V HN -0.558 7.247 8.190 -0.498 0.087 0.455 23 Y N 0.995 121.042 120.300 -0.421 0.000 2.114 23 Y HA -0.383 3.945 4.550 -0.371 0.000 0.284 23 Y C 1.903 177.690 175.900 -0.188 0.000 1.143 23 Y CA 3.636 61.511 58.100 -0.376 0.000 1.135 23 Y CB -0.053 38.076 38.460 -0.551 0.000 0.980 23 Y HN -0.619 7.481 8.280 -0.255 0.027 0.499 24 N N -0.615 118.177 118.700 0.154 0.000 2.069 24 N HA -0.496 4.356 4.740 0.187 0.000 0.191 24 N C 1.847 177.372 175.510 0.025 0.000 1.031 24 N CA 4.238 57.360 53.050 0.120 0.000 0.852 24 N CB -0.088 38.454 38.487 0.091 0.000 1.018 24 N HN -0.425 8.030 8.380 0.125 0.000 0.423 25 A N 0.282 123.117 122.820 0.024 0.000 1.865 25 A HA -0.274 4.054 4.320 0.014 0.000 0.217 25 A C 2.205 179.744 177.584 -0.075 0.000 1.191 25 A CA 3.154 55.203 52.037 0.019 0.000 0.623 25 A CB -0.621 18.475 19.000 0.160 0.000 0.826 25 A HN -0.167 8.001 8.150 0.030 0.000 0.444 26 I N -1.223 119.270 120.570 -0.127 0.000 2.142 26 I HA -0.645 3.415 4.170 -0.184 0.000 0.240 26 I C 1.893 177.954 176.117 -0.093 0.000 1.078 26 I CA 4.143 65.355 61.300 -0.148 0.000 1.343 26 I CB 0.018 37.898 38.000 -0.199 0.000 1.046 26 I HN -0.086 8.047 8.210 -0.129 0.000 0.405 27 A N -0.498 122.196 122.820 -0.209 0.000 1.917 27 A HA -0.414 3.806 4.320 -0.166 0.000 0.219 27 A C 2.192 179.772 177.584 -0.007 0.000 1.182 27 A CA 3.179 55.119 52.037 -0.161 0.000 0.633 27 A CB -0.603 18.284 19.000 -0.188 0.000 0.819 27 A HN 0.638 8.469 8.150 -0.290 0.145 0.448 28 L N -2.318 118.911 121.223 0.011 0.000 2.056 28 L HA -0.430 3.941 4.340 0.051 0.000 0.207 28 L C 2.382 179.289 176.870 0.063 0.000 1.078 28 L CA 3.055 57.918 54.840 0.038 0.000 0.749 28 L CB -0.098 41.975 42.059 0.023 0.000 0.901 28 L HN 0.168 8.375 8.230 -0.013 0.016 0.433 29 K N -0.913 119.518 120.400 0.051 0.000 2.283 29 K HA -0.314 4.054 4.320 0.080 0.000 0.202 29 K C 2.183 178.984 176.600 0.334 0.000 1.048 29 K CA 3.439 59.791 56.287 0.108 0.000 0.948 29 K CB -0.233 32.177 32.500 -0.149 0.000 0.742 29 K HN -0.277 7.963 8.250 0.005 0.013 0.458 30 L N -1.072 120.333 121.223 0.304 0.000 2.131 30 L HA -0.247 4.210 4.340 0.195 0.000 0.206 30 L C 0.697 177.654 176.870 0.146 0.000 1.087 30 L CA 3.033 57.996 54.840 0.206 0.000 0.767 30 L CB 0.068 42.190 42.059 0.104 0.000 0.917 30 L HN -0.492 7.715 8.230 0.215 0.152 0.441 31 R N -2.345 118.227 120.500 0.121 0.000 2.075 31 R HA -0.338 4.061 4.340 0.098 0.000 0.232 31 R C 2.729 179.093 176.300 0.106 0.000 1.126 31 R CA 3.079 59.239 56.100 0.101 0.000 0.963 31 R CB -0.057 30.292 30.300 0.082 0.000 0.858 31 R HN -0.843 7.373 8.270 0.114 0.122 0.435 32 E N -1.140 119.126 120.200 0.111 0.000 2.028 32 E HA -0.164 4.238 4.350 0.088 0.000 0.190 32 E C 2.114 178.789 176.600 0.124 0.000 0.984 32 E CA 2.779 59.240 56.400 0.102 0.000 0.800 32 E CB 0.413 30.157 29.700 0.073 0.000 0.758 32 E HN 0.074 8.315 8.360 0.113 0.187 0.448 33 D N -0.601 119.913 120.400 0.189 0.000 3.038 33 D HA 0.096 4.822 4.640 0.144 0.000 0.243 33 D C -0.307 176.093 176.300 0.166 0.000 1.245 33 D CA 0.363 54.493 54.000 0.216 0.000 0.871 33 D CB -1.226 39.794 40.800 0.367 0.000 1.089 33 D HN 0.019 8.427 8.370 0.239 0.105 0.464 34 D N -2.028 118.417 120.400 0.075 0.000 2.392 34 D HA -0.287 4.374 4.640 0.035 0.000 0.228 34 D C 0.880 177.027 176.300 -0.255 0.000 1.003 34 D CA 2.264 56.268 54.000 0.007 0.000 0.917 34 D CB 0.157 41.014 40.800 0.096 0.000 0.890 34 D HN -0.449 7.893 8.370 0.087 0.080 0.532 35 E N -0.827 119.148 120.200 -0.375 0.000 2.371 35 E HA -0.145 2.974 4.350 -2.052 0.000 0.194 35 E C 0.384 176.670 176.600 -0.523 0.000 1.012 35 E CA 0.521 56.391 56.400 -0.884 0.000 0.860 35 E CB 0.032 29.416 29.700 -0.527 0.000 0.811 35 E HN -0.029 8.148 8.360 -0.160 0.086 0.502 36 Y N 3.087 123.132 120.300 -0.424 0.000 2.904 36 Y HA -0.376 3.965 4.550 -0.347 0.000 0.336 36 Y C -1.690 174.004 175.900 -0.344 0.000 1.263 36 Y CA 1.687 59.510 58.100 -0.462 0.000 1.547 36 Y CB 0.349 38.216 38.460 -0.989 0.000 1.272 36 Y HN -0.976 7.192 8.280 -0.121 0.040 0.596 37 D N 6.861 126.647 120.400 -1.024 0.000 2.904 37 D HA -0.351 3.932 4.640 -0.595 0.000 0.231 37 D C -0.998 175.131 176.300 -0.285 0.000 1.185 37 D CA 1.540 55.110 54.000 -0.717 0.000 0.783 37 D CB -0.946 39.376 40.800 -0.798 0.000 0.961 37 D HN 0.529 8.215 8.370 -1.140 0.000 0.409 38 N N -4.271 114.337 118.700 -0.153 0.000 2.708 38 N HA -0.467 4.370 4.740 0.163 0.000 0.249 38 N C -1.180 174.461 175.510 0.219 0.000 1.097 38 N CA 1.458 54.544 53.050 0.060 0.000 0.710 38 N CB -1.492 37.014 38.487 0.033 0.000 1.032 38 N HN 0.404 8.669 8.380 -0.191 0.000 0.551 39 Y N -9.726 110.530 120.300 -0.073 0.000 3.994 39 Y HA -0.367 4.409 4.550 -0.019 -0.237 0.236 39 Y C 0.045 175.927 175.900 -0.031 0.000 1.272 39 Y CA 1.111 59.192 58.100 -0.032 0.000 1.940 39 Y CB -2.791 35.664 38.460 -0.008 0.000 1.599 39 Y HN -0.296 7.736 8.280 -0.202 0.126 0.686 40 I N -3.129 117.441 120.570 -0.000 0.000 2.731 40 I HA -0.109 4.099 4.170 0.064 0.000 0.260 40 I C 0.410 176.533 176.117 0.010 0.000 1.138 40 I CA 2.021 63.333 61.300 0.020 0.000 1.461 40 I CB 1.167 39.161 38.000 -0.010 0.000 1.128 40 I HN 0.068 8.118 8.210 -0.105 0.098 0.438 41 G N -2.950 105.819 108.800 -0.052 0.000 2.566 41 G HA2 -0.230 3.685 3.960 -0.076 0.000 0.599 41 G HA3 -0.230 3.732 3.960 0.002 0.000 0.599 41 G C -0.909 173.933 174.900 -0.097 0.000 1.292 41 G CA -0.748 44.321 45.100 -0.052 0.000 0.922 41 G HN -0.576 7.642 8.290 -0.119 0.000 0.514 42 Y N 0.306 120.523 120.300 -0.137 0.000 2.466 42 Y HA 0.025 4.468 4.550 -0.178 0.000 0.272 42 Y C 1.286 177.039 175.900 -0.245 0.000 1.169 42 Y CA 0.755 58.647 58.100 -0.346 0.000 1.285 42 Y CB -0.244 37.573 38.460 -1.071 0.000 1.078 42 Y HN 0.391 8.670 8.280 -0.002 0.000 0.523 43 G N 1.041 109.832 108.800 -0.015 0.000 2.701 43 G HA2 -0.324 3.621 3.960 -0.025 0.000 0.215 43 G HA3 -0.324 3.637 3.960 0.003 0.000 0.215 43 G C -1.060 173.846 174.900 0.009 0.000 1.297 43 G CA 2.349 47.444 45.100 -0.008 0.000 0.807 43 G HN 0.497 8.708 8.290 -0.008 0.074 0.608 44 P HA -0.300 4.135 4.420 0.025 0.000 0.215 44 P C 1.407 178.757 177.300 0.084 0.000 1.163 44 P CA 3.084 66.220 63.100 0.060 0.000 0.894 44 P CB -0.421 31.341 31.700 0.104 0.000 0.791 45 V N -2.543 117.433 119.914 0.102 0.000 2.392 45 V HA -0.407 3.783 4.120 0.117 0.000 0.249 45 V C 1.961 178.103 176.094 0.080 0.000 1.059 45 V CA 3.346 65.709 62.300 0.105 0.000 1.051 45 V CB -0.095 31.805 31.823 0.127 0.000 0.658 45 V HN -0.300 7.954 8.190 0.107 0.000 0.455 46 L N -1.818 119.441 121.223 0.059 0.000 2.141 46 L HA -0.347 4.037 4.340 0.074 0.000 0.209 46 L C 2.226 179.163 176.870 0.113 0.000 1.094 46 L CA 2.900 57.782 54.840 0.072 0.000 0.763 46 L CB -0.230 41.859 42.059 0.049 0.000 0.908 46 L HN -0.531 7.723 8.230 0.040 0.000 0.437 47 V N 0.434 120.404 119.914 0.093 0.000 2.548 47 V HA -0.502 3.754 4.120 0.226 0.000 0.249 47 V C 1.019 177.255 176.094 0.236 0.000 1.055 47 V CA 3.672 66.045 62.300 0.122 0.000 1.065 47 V CB 0.093 31.874 31.823 -0.070 0.000 0.681 47 V HN -0.067 8.051 8.190 0.057 0.107 0.462 48 R N -0.311 120.321 120.500 0.220 0.000 2.092 48 R HA -0.341 4.307 4.340 0.513 0.000 0.231 48 R C 2.022 178.507 176.300 0.309 0.000 1.119 48 R CA 3.669 59.981 56.100 0.353 0.000 0.970 48 R CB 0.027 30.489 30.300 0.270 0.000 0.864 48 R HN -0.049 8.312 8.270 0.152 0.000 0.440 49 L N -1.527 119.772 121.223 0.125 0.000 2.093 49 L HA -0.230 4.018 4.340 -0.154 0.000 0.208 49 L C 0.825 177.723 176.870 0.046 0.000 1.085 49 L CA 2.940 57.747 54.840 -0.054 0.000 0.755 49 L CB -0.143 41.811 42.059 -0.174 0.000 0.904 49 L HN 0.015 8.215 8.230 0.113 0.099 0.435 50 A N -1.240 121.711 122.820 0.218 0.000 1.883 50 A HA -0.328 4.126 4.320 0.222 0.000 0.217 50 A C 1.739 179.521 177.584 0.329 0.000 1.186 50 A CA 3.019 55.237 52.037 0.301 0.000 0.624 50 A CB -0.880 18.411 19.000 0.485 0.000 0.822 50 A HN -0.483 7.715 8.150 0.241 0.096 0.444 51 W N -1.193 120.283 121.300 0.293 0.000 2.355 51 W HA -0.476 4.340 4.660 0.260 0.000 0.309 51 W C 0.964 177.560 176.519 0.128 0.000 1.206 51 W CA 2.805 60.305 57.345 0.258 0.000 1.284 51 W CB -0.117 29.506 29.460 0.273 0.000 1.145 51 W HN -0.539 8.002 8.180 0.609 0.004 0.502 52 H N -4.680 114.107 119.070 -0.471 0.000 2.489 52 H HA -0.223 3.734 4.556 -1.000 0.000 0.293 52 H C 1.466 176.568 175.328 -0.376 0.000 1.066 52 H CA 3.467 59.145 56.048 -0.616 0.000 1.305 52 H CB 0.739 30.268 29.762 -0.387 0.000 1.386 52 H HN -0.297 8.056 8.280 0.120 0.000 0.551 53 I N -9.426 111.067 120.570 -0.129 0.000 3.228 53 I HA 0.234 4.408 4.170 0.008 0.000 0.279 53 I C 0.550 176.676 176.117 0.015 0.000 1.221 53 I CA 0.957 62.246 61.300 -0.019 0.000 1.458 53 I CB 1.588 39.612 38.000 0.040 0.000 1.105 53 I HN -0.922 7.180 8.210 -0.089 0.054 0.445 54 S N 1.202 116.879 115.700 -0.039 0.000 2.475 54 S HA -0.011 4.569 4.470 0.043 -0.083 0.224 54 S C 1.855 176.431 174.600 -0.039 0.000 1.042 54 S CA 3.015 61.221 58.200 0.009 0.000 0.935 54 S CB 0.852 64.090 63.200 0.064 0.000 0.801 54 S HN -0.542 7.565 8.310 -0.084 0.153 0.509 55 G N 0.764 109.358 108.800 -0.344 0.000 2.708 55 G HA2 -0.179 3.670 3.960 -0.185 0.000 0.210 55 G HA3 -0.179 2.965 3.960 -1.360 0.000 0.210 55 G C -0.625 174.162 174.900 -0.188 0.000 1.141 55 G CA 2.043 46.834 45.100 -0.516 0.000 0.788 55 G HN 0.252 8.219 8.290 -0.539 0.000 0.531 56 T N -3.054 111.467 114.554 -0.056 0.000 3.081 56 T HA -0.163 4.201 4.350 0.023 0.000 0.255 56 T C 0.576 175.347 174.700 0.119 0.000 1.113 56 T CA -0.457 61.668 62.100 0.041 0.000 1.082 56 T CB -0.437 68.476 68.868 0.075 0.000 0.939 56 T HN -0.406 7.724 8.240 -0.055 0.078 0.506 57 W N 4.563 125.843 121.300 -0.034 0.000 2.274 57 W HA -0.194 4.648 4.660 0.021 -0.169 0.345 57 W C -1.821 174.673 176.519 -0.041 0.000 1.265 57 W CA 1.769 59.108 57.345 -0.009 0.000 1.293 57 W CB 0.815 30.278 29.460 0.006 0.000 1.175 57 W HN -0.712 7.578 8.180 0.274 0.055 0.577 58 D N 5.931 125.956 120.400 -0.624 0.000 2.421 58 D HA 0.251 4.613 4.640 -0.464 0.000 0.254 58 D C 0.055 175.680 176.300 -1.125 0.000 1.238 58 D CA -0.951 52.674 54.000 -0.625 0.000 0.919 58 D CB 2.237 42.861 40.800 -0.294 0.000 1.152 58 D HN -0.179 7.698 8.370 -0.822 0.000 0.552 59 K N 5.788 125.376 120.400 -1.352 0.000 2.280 59 K HA -0.238 2.923 4.320 -1.931 0.000 0.202 59 K C 1.190 177.353 176.600 -0.729 0.000 1.047 59 K CA 2.153 57.603 56.287 -1.395 0.000 0.942 59 K CB -0.173 31.718 32.500 -1.014 0.000 0.739 59 K HN 0.293 7.923 8.250 -1.033 0.000 0.457 60 H N -1.457 117.366 119.070 -0.411 0.000 2.353 60 H HA -0.174 4.267 4.556 -0.192 0.000 0.300 60 H C 0.476 175.682 175.328 -0.203 0.000 1.090 60 H CA 3.108 59.012 56.048 -0.241 0.000 1.327 60 H CB 0.334 29.983 29.762 -0.188 0.000 1.383 60 H HN -0.482 7.637 8.280 -0.438 -0.102 0.508 61 D N -5.847 114.489 120.400 -0.107 0.000 2.469 61 D HA 0.025 4.623 4.640 -0.070 0.000 0.213 61 D C -0.488 175.737 176.300 -0.126 0.000 1.135 61 D CA -0.498 53.445 54.000 -0.094 0.000 0.834 61 D CB 1.595 42.358 40.800 -0.061 0.000 1.009 61 D HN -0.604 7.673 8.370 -0.155 0.000 0.507 62 N N -1.117 117.447 118.700 -0.226 0.000 2.740 62 N HA -0.363 4.285 4.740 -0.217 -0.038 0.248 62 N C -1.323 174.230 175.510 0.071 0.000 1.062 62 N CA 1.247 54.248 53.050 -0.081 0.000 0.704 62 N CB -0.472 38.036 38.487 0.036 0.000 0.968 62 N HN 0.073 8.123 8.380 -0.378 0.103 0.547 63 T N -4.022 110.533 114.554 0.002 0.000 2.936 63 T HA 0.248 4.738 4.350 0.233 0.000 0.282 63 T C -0.777 174.057 174.700 0.224 0.000 1.003 63 T CA -1.438 60.748 62.100 0.144 0.000 1.005 63 T CB 2.328 71.231 68.868 0.057 0.000 1.097 63 T HN -0.907 7.241 8.240 -0.153 0.000 0.532 64 G N 0.993 109.946 108.800 0.256 0.000 2.698 64 G HA2 -0.454 3.633 3.960 0.211 0.000 0.233 64 G HA3 -0.454 3.716 3.960 0.213 -0.082 0.233 64 G C -1.275 173.855 174.900 0.384 0.000 1.352 64 G CA -0.159 45.096 45.100 0.258 0.000 0.879 64 G HN 0.364 8.797 8.290 0.239 0.000 0.567 65 G N -1.551 107.434 108.800 0.307 0.000 2.663 65 G HA2 -0.289 3.933 3.960 0.150 0.000 0.686 65 G HA3 -0.289 3.784 3.960 0.188 0.000 0.686 65 G C 0.239 175.222 174.900 0.138 0.000 1.288 65 G CA -0.533 44.689 45.100 0.203 0.000 0.836 65 G HN -0.514 7.942 8.290 0.236 -0.024 0.584 66 S N 0.436 116.182 115.700 0.077 0.000 2.383 66 S HA -0.219 4.331 4.470 0.134 0.000 0.227 66 S C 1.191 175.846 174.600 0.092 0.000 1.026 66 S CA 2.529 60.786 58.200 0.095 0.000 0.981 66 S CB 0.823 64.061 63.200 0.064 0.000 0.818 66 S HN 0.394 8.708 8.310 0.006 0.000 0.472 67 Y N 4.197 124.450 120.300 -0.078 0.000 1.949 67 Y HA -0.540 3.928 4.550 -0.136 0.000 0.232 67 Y C 1.787 177.623 175.900 -0.107 0.000 1.205 67 Y CA 3.408 61.415 58.100 -0.155 0.000 1.037 67 Y CB -0.392 37.866 38.460 -0.337 0.000 0.849 67 Y HN 0.260 8.620 8.280 0.134 0.000 0.517 68 G N -5.414 103.326 108.800 -0.101 0.000 2.776 68 G HA2 -0.276 3.730 3.960 -0.260 0.000 0.209 68 G HA3 -0.276 3.711 3.960 0.045 0.000 0.209 68 G C 0.121 175.031 174.900 0.015 0.000 1.145 68 G CA -0.228 44.822 45.100 -0.084 0.000 0.791 68 G HN 0.142 8.478 8.290 0.076 0.000 0.530 69 G N 0.386 109.221 108.800 0.058 0.000 2.422 69 G HA2 -0.437 3.704 3.960 0.301 0.000 0.301 69 G HA3 -0.437 3.579 3.960 0.018 -0.045 0.301 69 G C 0.408 175.453 174.900 0.242 0.000 0.981 69 G CA 1.148 46.342 45.100 0.156 0.000 0.994 69 G HN 0.018 8.272 8.290 0.044 0.062 0.514 70 T N -4.236 110.493 114.554 0.291 0.000 3.160 70 T HA -0.259 4.391 4.350 0.501 0.000 0.257 70 T C 0.575 175.481 174.700 0.342 0.000 1.147 70 T CA 1.354 63.686 62.100 0.387 0.000 1.064 70 T CB -0.590 68.485 68.868 0.346 0.000 0.949 70 T HN -0.163 8.222 8.240 0.258 0.009 0.526 71 Y N 2.140 122.564 120.300 0.207 0.000 2.403 71 Y HA -0.348 4.358 4.550 0.110 -0.090 0.291 71 Y C -0.549 175.382 175.900 0.051 0.000 1.143 71 Y CA 2.042 60.205 58.100 0.104 0.000 1.257 71 Y CB -0.307 38.130 38.460 -0.038 0.000 0.984 71 Y HN -0.137 8.384 8.280 0.493 0.055 0.550 72 R N -2.046 118.398 120.500 -0.093 0.000 2.339 72 R HA -0.217 3.696 4.340 -0.710 0.000 0.199 72 R C 0.296 176.209 176.300 -0.646 0.000 1.018 72 R CA 0.919 56.738 56.100 -0.468 0.000 1.036 72 R CB -0.423 29.681 30.300 -0.326 0.000 0.899 72 R HN -0.856 7.455 8.270 0.157 0.054 0.473 73 F N -0.157 119.692 119.950 -0.167 0.000 2.425 73 F HA 0.169 4.597 4.527 -0.166 0.000 0.331 73 F C 1.082 176.797 175.800 -0.142 0.000 1.085 73 F CA -1.385 56.534 58.000 -0.134 0.000 1.028 73 F CB 2.152 41.122 39.000 -0.049 0.000 1.177 73 F HN -0.375 7.736 8.300 -0.033 0.169 0.487 74 K N 3.465 123.901 120.400 0.059 0.000 2.074 74 K HA -0.476 3.847 4.320 0.006 0.000 0.209 74 K C 1.810 178.465 176.600 0.092 0.000 1.048 74 K CA 4.899 61.209 56.287 0.038 0.000 0.926 74 K CB -0.089 32.424 32.500 0.022 0.000 0.713 74 K HN 0.558 8.874 8.250 0.111 0.000 0.444 75 K N -1.677 118.779 120.400 0.094 0.000 2.001 75 K HA -0.367 3.990 4.320 0.061 0.000 0.214 75 K C 1.677 178.327 176.600 0.083 0.000 1.050 75 K CA 3.609 59.942 56.287 0.077 0.000 0.934 75 K CB -0.398 32.141 32.500 0.064 0.000 0.718 75 K HN 0.162 8.463 8.250 0.114 0.017 0.443 76 E N -1.681 118.582 120.200 0.105 0.000 2.047 76 E HA -0.262 4.157 4.350 0.116 0.000 0.191 76 E C 2.723 179.347 176.600 0.040 0.000 0.987 76 E CA 2.768 59.233 56.400 0.108 0.000 0.799 76 E CB -0.179 29.622 29.700 0.169 0.000 0.752 76 E HN -0.515 7.926 8.360 0.136 0.000 0.449 77 F N 0.059 119.817 119.950 -0.319 0.000 2.161 77 F HA -0.315 3.543 4.527 -1.114 0.000 0.300 77 F C 0.251 175.920 175.800 -0.219 0.000 1.089 77 F CA 3.181 60.817 58.000 -0.606 0.000 1.282 77 F CB 0.298 38.886 39.000 -0.688 0.000 1.010 77 F HN 0.016 8.320 8.300 0.006 0.000 0.485 78 N N -4.952 113.758 118.700 0.017 0.000 2.336 78 N HA -0.041 4.658 4.740 -0.069 0.000 0.189 78 N C -0.986 174.520 175.510 -0.007 0.000 1.113 78 N CA 0.928 53.980 53.050 0.005 0.000 0.858 78 N CB 1.059 39.590 38.487 0.073 0.000 0.970 78 N HN -0.237 8.052 8.380 0.082 0.140 0.471 79 D N 2.429 122.835 120.400 0.011 0.000 2.531 79 D HA -0.021 4.646 4.640 0.044 0.000 0.239 79 D C 0.191 176.499 176.300 0.013 0.000 1.144 79 D CA -1.008 53.014 54.000 0.036 0.000 0.869 79 D CB 1.406 42.251 40.800 0.075 0.000 1.160 79 D HN -0.536 7.665 8.370 0.019 0.181 0.484 80 P HA -0.132 4.287 4.420 -0.002 0.000 0.225 80 P C 0.395 177.713 177.300 0.030 0.000 1.148 80 P CA 1.349 64.460 63.100 0.019 0.000 0.779 80 P CB 0.160 31.878 31.700 0.030 0.000 0.780 81 S N -3.718 112.017 115.700 0.059 0.000 2.593 81 S HA -0.121 4.407 4.470 0.098 0.000 0.217 81 S C -0.109 174.482 174.600 -0.015 0.000 0.966 81 S CA 0.951 59.209 58.200 0.096 0.000 0.914 81 S CB -0.323 62.989 63.200 0.187 0.000 0.776 81 S HN -0.080 8.562 8.310 0.070 -0.291 0.523 82 N N 1.655 120.312 118.700 -0.071 0.000 2.235 82 N HA 0.105 4.585 4.740 -0.433 0.000 0.209 82 N C -1.647 173.756 175.510 -0.178 0.000 1.122 82 N CA -1.010 51.921 53.050 -0.198 0.000 0.845 82 N CB 0.174 38.626 38.487 -0.059 0.000 1.004 82 N HN -0.159 7.971 8.380 -0.020 0.238 0.499 83 A N -0.918 121.838 122.820 -0.108 0.000 2.477 83 A HA -0.046 4.206 4.320 -0.113 0.000 0.246 83 A C 0.192 177.728 177.584 -0.080 0.000 1.078 83 A CA 1.263 53.250 52.037 -0.083 0.000 0.770 83 A CB 0.087 19.070 19.000 -0.029 0.000 1.011 83 A HN -0.912 7.121 8.150 -0.067 0.077 0.494 84 G N 2.664 111.418 108.800 -0.077 0.000 2.213 84 G HA2 -0.403 3.537 3.960 -0.033 0.000 0.236 84 G HA3 -0.403 3.533 3.960 -0.040 0.000 0.236 84 G C 0.802 175.677 174.900 -0.041 0.000 0.991 84 G CA 0.788 45.859 45.100 -0.048 0.000 0.629 84 G HN 0.457 8.964 8.290 -0.088 -0.270 0.517 85 L N 0.198 121.361 121.223 -0.100 0.000 2.492 85 L HA -0.212 4.094 4.340 -0.057 0.000 0.223 85 L C 0.883 177.760 176.870 0.010 0.000 1.132 85 L CA 0.911 55.694 54.840 -0.096 0.000 0.850 85 L CB -0.457 41.446 42.059 -0.261 0.000 0.966 85 L HN -0.767 7.301 8.230 -0.147 0.074 0.454 86 Q N -1.154 118.631 119.800 -0.025 0.000 2.181 86 Q HA -0.403 4.102 4.340 0.276 0.000 0.205 86 Q C 2.109 178.257 176.000 0.247 0.000 0.980 86 Q CA 3.681 59.572 55.803 0.148 0.000 0.862 86 Q CB -0.932 27.882 28.738 0.126 0.000 0.905 86 Q HN 0.447 8.613 8.270 -0.103 0.043 0.429 87 N N -1.726 117.058 118.700 0.140 0.000 2.205 87 N HA -0.293 4.517 4.740 0.117 0.000 0.186 87 N C 1.811 177.387 175.510 0.110 0.000 1.015 87 N CA 3.014 56.128 53.050 0.107 0.000 0.862 87 N CB -0.199 38.326 38.487 0.064 0.000 0.986 87 N HN -0.480 7.941 8.380 0.093 0.015 0.429 88 G N -1.073 107.800 108.800 0.121 0.000 2.426 88 G HA2 -0.102 3.913 3.960 0.091 0.000 0.214 88 G HA3 -0.102 3.904 3.960 0.076 0.000 0.214 88 G C 0.748 175.757 174.900 0.182 0.000 1.156 88 G CA 1.156 46.324 45.100 0.114 0.000 0.802 88 G HN -0.246 7.944 8.290 0.110 0.166 0.534 89 F N 2.612 122.635 119.950 0.120 0.000 2.102 89 F HA -0.330 4.313 4.527 0.194 0.000 0.298 89 F C 1.103 177.000 175.800 0.161 0.000 1.105 89 F CA 2.549 60.674 58.000 0.208 0.000 1.239 89 F CB 0.340 39.594 39.000 0.424 0.000 0.991 89 F HN -0.271 8.155 8.300 0.368 0.095 0.474 90 K N -2.006 118.380 120.400 -0.024 0.000 2.032 90 K HA -0.390 3.752 4.320 -0.296 0.000 0.209 90 K C 2.887 179.359 176.600 -0.213 0.000 1.048 90 K CA 3.062 59.265 56.287 -0.140 0.000 0.927 90 K CB -0.510 32.008 32.500 0.029 0.000 0.712 90 K HN -0.194 8.193 8.250 0.228 0.000 0.441 91 F N -1.168 118.576 119.950 -0.344 0.000 2.202 91 F HA -0.284 3.935 4.527 -0.515 0.000 0.301 91 F C 0.312 175.902 175.800 -0.350 0.000 1.082 91 F CA 2.868 60.574 58.000 -0.489 0.000 1.313 91 F CB 0.187 38.711 39.000 -0.794 0.000 1.024 91 F HN -0.771 7.531 8.300 0.004 0.000 0.495 92 L N -6.525 114.529 121.223 -0.282 0.000 2.640 92 L HA 0.014 4.064 4.340 -0.483 0.000 0.230 92 L C 0.548 177.211 176.870 -0.345 0.000 1.123 92 L CA -0.258 54.389 54.840 -0.322 0.000 0.900 92 L CB -0.072 41.939 42.059 -0.081 0.000 1.146 92 L HN -0.705 7.292 8.230 -0.168 0.133 0.484 93 E N 0.563 120.491 120.200 -0.454 0.000 2.077 93 E HA -0.209 3.967 4.350 -0.288 0.000 0.193 93 E C -0.432 176.019 176.600 -0.249 0.000 0.989 93 E CA 4.507 60.671 56.400 -0.394 0.000 0.800 93 E CB -2.306 27.091 29.700 -0.507 0.000 0.746 93 E HN -0.269 7.661 8.360 -0.502 0.128 0.452 94 P HA -0.250 4.034 4.420 -0.227 0.000 0.211 94 P C 1.726 178.868 177.300 -0.263 0.000 1.181 94 P CA 2.468 65.409 63.100 -0.265 0.000 0.929 94 P CB -0.517 31.000 31.700 -0.304 0.000 0.789 95 I N -4.130 116.270 120.570 -0.284 0.000 2.381 95 I HA -0.493 3.515 4.170 -0.270 0.000 0.255 95 I C 1.725 177.766 176.117 -0.127 0.000 1.140 95 I CA 3.919 65.089 61.300 -0.218 0.000 1.404 95 I CB -0.236 37.650 38.000 -0.191 0.000 1.075 95 I HN 0.116 8.114 8.210 -0.353 0.000 0.433 96 H N -0.280 118.640 119.070 -0.250 0.000 2.395 96 H HA -0.348 4.082 4.556 -0.210 0.000 0.299 96 H C 1.499 176.677 175.328 -0.251 0.000 1.070 96 H CA 2.697 58.607 56.048 -0.229 0.000 1.356 96 H CB 0.274 29.909 29.762 -0.211 0.000 1.401 96 H HN -0.315 7.748 8.280 -0.094 0.160 0.524 97 K N -1.853 118.385 120.400 -0.269 0.000 2.097 97 K HA -0.267 3.858 4.320 -0.324 0.000 0.206 97 K C 1.861 178.250 176.600 -0.352 0.000 1.049 97 K CA 2.196 58.303 56.287 -0.300 0.000 0.933 97 K CB -0.188 32.177 32.500 -0.225 0.000 0.717 97 K HN -0.416 7.626 8.250 -0.194 0.092 0.442 98 E N -1.628 118.301 120.200 -0.452 0.000 2.031 98 E HA -0.232 3.790 4.350 -0.548 0.000 0.193 98 E C 0.704 176.786 176.600 -0.862 0.000 0.994 98 E CA 2.833 58.797 56.400 -0.726 0.000 0.800 98 E CB 0.795 29.897 29.700 -0.997 0.000 0.752 98 E HN -0.680 7.343 8.360 -0.399 0.097 0.447 99 F N -3.910 115.827 119.950 -0.355 0.000 2.550 99 F HA 0.429 4.661 4.527 -0.490 0.000 0.312 99 F C -1.977 173.290 175.800 -0.890 0.000 1.256 99 F CA -3.531 54.050 58.000 -0.697 0.000 1.182 99 F CB -0.781 37.658 39.000 -0.935 0.000 1.383 99 F HN -0.588 7.327 8.300 -0.524 0.070 0.541 100 P HA -0.030 3.970 4.420 -0.785 -0.051 0.236 100 P C -0.953 176.197 177.300 -0.251 0.000 1.172 100 P CA 1.080 63.899 63.100 -0.468 0.000 0.759 100 P CB -0.049 31.465 31.700 -0.311 0.000 0.843 101 W N -5.056 116.245 121.300 0.003 0.000 2.523 101 W HA -0.043 4.627 4.660 0.016 0.000 0.278 101 W C -0.287 176.291 176.519 0.097 0.000 1.236 101 W CA -0.789 56.576 57.345 0.034 0.000 1.306 101 W CB -0.787 28.684 29.460 0.018 0.000 1.101 101 W HN -0.846 6.689 8.180 -0.940 0.081 0.577 102 I N 2.501 123.024 120.570 -0.078 0.000 2.752 102 I HA -0.237 4.365 4.170 0.424 -0.177 0.287 102 I C -0.437 175.759 176.117 0.132 0.000 1.188 102 I CA 0.017 61.371 61.300 0.090 0.000 1.427 102 I CB 1.813 39.675 38.000 -0.230 0.000 1.365 102 I HN -0.837 6.874 8.210 -0.831 0.000 0.585 103 S N 6.430 122.207 115.700 0.128 0.000 2.632 103 S HA 0.140 4.753 4.470 0.057 -0.109 0.267 103 S C 1.109 175.617 174.600 -0.154 0.000 1.276 103 S CA -0.796 57.415 58.200 0.018 0.000 0.998 103 S CB 2.246 65.431 63.200 -0.025 0.000 0.953 103 S HN -0.271 8.298 8.310 0.196 -0.142 0.547 104 S N 3.332 118.865 115.700 -0.279 0.000 2.370 104 S HA -0.319 3.570 4.470 -0.968 0.000 0.226 104 S C 1.789 175.948 174.600 -0.736 0.000 1.033 104 S CA 4.039 61.845 58.200 -0.657 0.000 1.011 104 S CB -0.240 62.682 63.200 -0.463 0.000 0.852 104 S HN 0.074 8.678 8.310 -0.165 -0.394 0.457 105 G N 0.277 108.900 108.800 -0.295 0.000 2.418 105 G HA2 -0.309 3.667 3.960 0.027 0.000 0.217 105 G HA3 -0.309 3.678 3.960 -0.079 -0.076 0.217 105 G C 0.682 175.574 174.900 -0.013 0.000 1.158 105 G CA 1.932 46.974 45.100 -0.095 0.000 0.771 105 G HN 0.027 8.181 8.290 -0.227 0.000 0.545 106 D N 2.396 122.799 120.400 0.006 0.000 2.183 106 D HA -0.075 4.835 4.640 0.450 0.000 0.203 106 D C 2.336 178.749 176.300 0.187 0.000 0.969 106 D CA 2.888 57.047 54.000 0.265 0.000 0.842 106 D CB 0.172 41.167 40.800 0.324 0.000 0.957 106 D HN -0.519 7.722 8.370 -0.063 0.090 0.484 107 L N 0.429 121.589 121.223 -0.106 0.000 2.044 107 L HA -0.257 3.995 4.340 -0.147 0.000 0.205 107 L C 1.721 178.560 176.870 -0.051 0.000 1.075 107 L CA 3.451 58.172 54.840 -0.198 0.000 0.747 107 L CB 0.081 41.879 42.059 -0.435 0.000 0.903 107 L HN -0.463 7.519 8.230 -0.229 0.111 0.435 108 F N -2.484 117.484 119.950 0.030 0.000 2.171 108 F HA -0.363 4.189 4.527 0.041 0.000 0.300 108 F C 2.354 178.199 175.800 0.075 0.000 1.090 108 F CA 1.809 59.840 58.000 0.053 0.000 1.293 108 F CB -0.971 38.068 39.000 0.066 0.000 1.013 108 F HN 0.217 8.224 8.300 -0.488 0.000 0.486 109 S N -0.714 115.160 115.700 0.291 0.000 2.377 109 S HA -0.290 4.317 4.470 0.230 0.000 0.223 109 S C 1.795 176.483 174.600 0.147 0.000 1.030 109 S CA 3.380 61.742 58.200 0.270 0.000 0.970 109 S CB 0.552 63.972 63.200 0.368 0.000 0.830 109 S HN -0.527 7.946 8.310 0.270 0.000 0.473 110 L N 3.237 124.420 121.223 -0.067 0.000 2.079 110 L HA -0.292 3.418 4.340 -1.050 0.000 0.210 110 L C 1.486 178.190 176.870 -0.278 0.000 1.081 110 L CA 2.895 57.375 54.840 -0.601 0.000 0.752 110 L CB -0.436 41.119 42.059 -0.840 0.000 0.896 110 L HN -0.421 7.851 8.230 0.070 0.000 0.433 111 G N -3.476 105.261 108.800 -0.105 0.000 2.442 111 G HA2 -0.355 3.546 3.960 -0.099 0.000 0.219 111 G HA3 -0.355 3.641 3.960 0.060 0.000 0.219 111 G C 1.070 175.995 174.900 0.042 0.000 1.141 111 G CA 2.205 47.292 45.100 -0.022 0.000 0.763 111 G HN 0.005 8.252 8.290 -0.053 0.011 0.554 112 G N 0.794 109.681 108.800 0.146 0.000 2.464 112 G HA2 -0.061 4.003 3.960 0.173 0.000 0.217 112 G HA3 -0.061 4.159 3.960 0.433 0.000 0.217 112 G C 1.143 176.200 174.900 0.263 0.000 1.138 112 G CA 0.985 46.240 45.100 0.257 0.000 0.793 112 G HN -0.443 7.794 8.290 0.153 0.145 0.539 113 V N 3.193 123.240 119.914 0.223 0.000 2.427 113 V HA -0.550 3.772 4.120 0.338 0.000 0.248 113 V C 1.511 177.697 176.094 0.153 0.000 1.051 113 V CA 4.394 66.830 62.300 0.226 0.000 1.048 113 V CB 0.045 31.963 31.823 0.159 0.000 0.666 113 V HN -0.327 7.855 8.190 0.144 0.095 0.456 114 T N 1.830 116.376 114.554 -0.013 0.000 2.777 114 T HA -0.370 3.875 4.350 -0.175 0.000 0.266 114 T C 1.322 175.941 174.700 -0.135 0.000 1.040 114 T CA 4.870 66.812 62.100 -0.262 0.000 1.141 114 T CB -0.722 67.765 68.868 -0.635 0.000 0.868 114 T HN 0.289 8.475 8.240 -0.068 0.013 0.444 115 A N 0.795 123.572 122.820 -0.072 0.000 1.930 115 A HA -0.167 4.118 4.320 -0.058 0.000 0.217 115 A C 2.058 179.604 177.584 -0.064 0.000 1.175 115 A CA 2.983 54.987 52.037 -0.055 0.000 0.627 115 A CB -0.897 18.082 19.000 -0.035 0.000 0.815 115 A HN -0.590 7.449 8.150 -0.043 0.085 0.443 116 V N -0.812 119.054 119.914 -0.080 0.000 2.270 116 V HA -0.668 3.243 4.120 -0.349 0.000 0.245 116 V C 1.910 177.961 176.094 -0.072 0.000 1.043 116 V CA 4.726 66.907 62.300 -0.197 0.000 1.014 116 V CB -0.077 31.617 31.823 -0.215 0.000 0.645 116 V HN -0.470 7.705 8.190 -0.024 0.000 0.447 117 Q N -0.391 119.439 119.800 0.050 0.000 2.050 117 Q HA -0.361 4.043 4.340 0.107 0.000 0.202 117 Q C 3.390 179.475 176.000 0.141 0.000 0.980 117 Q CA 3.290 59.177 55.803 0.140 0.000 0.840 117 Q CB -0.081 28.826 28.738 0.282 0.000 0.898 117 Q HN -0.414 7.905 8.270 0.082 0.000 0.424 118 E N -0.676 119.591 120.200 0.111 0.000 2.160 118 E HA -0.244 4.184 4.350 0.131 0.000 0.195 118 E C 1.533 178.182 176.600 0.082 0.000 0.991 118 E CA 2.430 58.883 56.400 0.089 0.000 0.810 118 E CB -0.097 29.614 29.700 0.019 0.000 0.742 118 E HN 0.301 8.588 8.360 0.078 0.120 0.466 119 M N -2.923 116.715 119.600 0.064 0.000 2.639 119 M HA -0.004 4.535 4.480 0.099 0.000 0.220 119 M C -0.996 175.394 176.300 0.150 0.000 1.155 119 M CA 0.436 55.791 55.300 0.092 0.000 1.003 119 M CB -0.296 32.342 32.600 0.063 0.000 1.725 119 M HN -0.543 7.754 8.290 0.030 0.010 0.489 120 Q N -6.372 113.519 119.800 0.152 0.000 2.504 120 Q HA -0.360 4.092 4.340 0.187 0.000 0.269 120 Q C -0.676 175.487 176.000 0.272 0.000 0.970 120 Q CA 0.839 56.765 55.803 0.205 0.000 1.064 120 Q CB -2.350 26.516 28.738 0.213 0.000 1.355 120 Q HN -0.038 8.105 8.270 0.128 0.204 0.557 121 G N -1.032 107.854 108.800 0.143 0.000 2.535 121 G HA2 0.316 4.232 3.960 -0.073 0.000 0.282 121 G HA3 0.316 4.229 3.960 -0.136 -0.035 0.282 121 G C -2.326 172.470 174.900 -0.174 0.000 1.350 121 G CA -1.147 43.915 45.100 -0.063 0.000 1.039 121 G HN 0.297 8.520 8.290 0.086 0.119 0.509 122 P HA 0.106 4.555 4.420 0.049 0.000 0.277 122 P C -0.957 176.340 177.300 -0.005 0.000 1.271 122 P CA -0.903 62.114 63.100 -0.137 0.000 0.795 122 P CB 1.051 32.631 31.700 -0.200 0.000 1.101 123 K N -1.263 119.171 120.400 0.057 0.000 2.270 123 K HA -0.024 4.366 4.320 0.118 0.000 0.276 123 K C -0.591 176.061 176.600 0.086 0.000 1.023 123 K CA 0.166 56.506 56.287 0.088 0.000 0.955 123 K CB 0.475 33.021 32.500 0.077 0.000 0.975 123 K HN 0.107 8.395 8.250 0.065 0.000 0.471 124 I N 5.203 125.854 120.570 0.136 0.000 2.466 124 I HA 0.307 4.526 4.170 0.082 0.000 0.279 124 I C -2.164 174.052 176.117 0.164 0.000 1.033 124 I CA -3.273 58.111 61.300 0.140 0.000 1.123 124 I CB 1.672 39.796 38.000 0.208 0.000 1.237 124 I HN -0.300 8.262 8.210 0.176 -0.245 0.460 125 P HA -0.050 4.603 4.420 0.033 -0.213 0.267 125 P C -2.132 175.263 177.300 0.159 0.000 1.195 125 P CA -0.205 62.921 63.100 0.044 0.000 0.773 125 P CB 0.689 32.349 31.700 -0.066 0.000 0.837 126 W N 0.511 121.779 121.300 -0.055 0.000 3.118 126 W HA 0.173 4.809 4.660 -0.040 0.000 0.328 126 W C -2.871 173.611 176.519 -0.061 0.000 1.239 126 W CA -0.938 56.418 57.345 0.018 0.000 1.176 126 W CB 3.710 33.333 29.460 0.270 0.000 1.433 126 W HN 0.190 8.540 8.180 0.147 -0.081 0.562 127 R N 0.761 120.611 120.500 -1.084 0.000 2.837 127 R HA 0.288 4.165 4.340 -0.771 0.000 0.271 127 R C -1.765 173.607 176.300 -1.546 0.000 0.993 127 R CA -1.304 54.167 56.100 -1.047 0.000 0.931 127 R CB 3.326 33.143 30.300 -0.805 0.000 1.206 127 R HN 0.287 7.684 8.270 -1.454 0.000 0.474 128 C N -1.589 117.184 119.300 -0.877 0.000 2.423 128 C HA 0.760 4.834 4.460 -0.962 -0.192 0.378 128 C C 0.573 175.478 174.990 -0.142 0.000 1.244 128 C CA -2.431 56.197 59.018 -0.651 0.000 1.978 128 C CB 3.753 31.218 27.740 -0.459 0.000 2.252 128 C HN 0.409 8.346 8.230 -0.488 0.000 0.526 129 G N -1.282 107.503 108.800 -0.025 0.000 2.367 129 G HA2 -0.188 3.974 3.960 0.101 0.000 0.181 129 G HA3 -0.188 3.808 3.960 0.060 0.000 0.181 129 G C -0.635 174.261 174.900 -0.007 0.000 1.000 129 G CA -0.392 44.736 45.100 0.048 0.000 0.693 129 G HN 0.023 8.653 8.290 -0.007 -0.344 0.480 130 R N 1.807 122.268 120.500 -0.065 0.000 2.697 130 R HA -0.067 4.112 4.340 -0.269 0.000 0.265 130 R C -1.024 175.061 176.300 -0.357 0.000 1.009 130 R CA 1.437 57.393 56.100 -0.240 0.000 1.099 130 R CB 0.509 30.704 30.300 -0.174 0.000 0.965 130 R HN -0.674 7.811 8.270 -0.065 -0.253 0.428 131 V N 1.736 121.172 119.914 -0.796 0.000 2.735 131 V HA 0.133 4.115 4.120 -0.230 0.000 0.310 131 V C -1.478 174.307 176.094 -0.515 0.000 1.061 131 V CA -1.551 60.455 62.300 -0.490 0.000 0.913 131 V CB 3.948 35.595 31.823 -0.294 0.000 1.005 131 V HN -0.164 7.028 8.190 -1.664 0.000 0.428 132 D N 5.969 126.239 120.400 -0.217 0.000 2.345 132 D HA 0.051 4.790 4.640 -0.110 -0.165 0.247 132 D C -0.347 175.940 176.300 -0.023 0.000 1.108 132 D CA 0.521 54.465 54.000 -0.094 0.000 0.894 132 D CB 1.022 41.815 40.800 -0.011 0.000 1.203 132 D HN 0.114 8.404 8.370 -0.135 0.000 0.430 133 T N 0.568 115.158 114.554 0.060 0.000 2.893 133 T HA 0.436 4.840 4.350 0.091 0.000 0.293 133 T C -2.211 172.581 174.700 0.153 0.000 1.027 133 T CA -3.110 59.052 62.100 0.103 0.000 0.988 133 T CB 1.182 70.114 68.868 0.107 0.000 1.043 133 T HN -0.290 8.008 8.240 0.097 0.000 0.461 134 P HA -0.074 4.366 4.420 0.034 0.000 0.267 134 P C 0.841 177.981 177.300 -0.267 0.000 1.195 134 P CA -0.385 62.702 63.100 -0.022 0.000 0.773 134 P CB 0.757 32.445 31.700 -0.020 0.000 0.837 135 E N 1.473 121.270 120.200 -0.672 0.000 2.284 135 E HA -0.483 2.408 4.350 -2.431 0.000 0.200 135 E C 1.500 177.778 176.600 -0.536 0.000 1.008 135 E CA 3.140 58.789 56.400 -1.252 0.000 0.829 135 E CB -0.063 29.041 29.700 -0.993 0.000 0.744 135 E HN 0.532 8.623 8.360 -0.449 0.000 0.491 136 D N -6.629 113.605 120.400 -0.275 0.000 2.269 136 D HA -0.213 4.339 4.640 -0.147 0.000 0.208 136 D C 1.044 177.299 176.300 -0.076 0.000 0.963 136 D CA 1.664 55.580 54.000 -0.139 0.000 0.864 136 D CB -0.733 40.020 40.800 -0.078 0.000 0.936 136 D HN -0.101 8.066 8.370 -0.236 0.062 0.505 137 T N -4.020 110.503 114.554 -0.051 0.000 3.215 137 T HA -0.054 4.326 4.350 0.051 0.000 0.254 137 T C 0.299 175.030 174.700 0.051 0.000 1.149 137 T CA 0.356 62.480 62.100 0.038 0.000 1.042 137 T CB -0.242 68.686 68.868 0.099 0.000 0.966 137 T HN -0.197 7.849 8.240 -0.086 0.142 0.534 138 T N 6.646 121.199 114.554 -0.002 0.000 2.769 138 T HA 0.107 4.528 4.350 0.119 0.000 0.293 138 T C -1.744 172.993 174.700 0.063 0.000 0.931 138 T CA -0.021 62.112 62.100 0.056 0.000 1.139 138 T CB 0.099 68.987 68.868 0.033 0.000 0.881 138 T HN -0.752 7.339 8.240 -0.084 0.098 0.532 139 P HA -0.137 4.325 4.420 0.070 0.000 0.266 139 P C -1.289 176.055 177.300 0.074 0.000 1.195 139 P CA -0.446 62.705 63.100 0.084 0.000 0.768 139 P CB 0.808 32.570 31.700 0.104 0.000 0.838 140 D N 1.142 121.577 120.400 0.058 0.000 2.382 140 D HA -0.111 4.559 4.640 0.051 0.000 0.240 140 D C 0.012 176.353 176.300 0.068 0.000 1.146 140 D CA 0.983 55.015 54.000 0.054 0.000 0.897 140 D CB 0.997 41.822 40.800 0.042 0.000 1.197 140 D HN 0.062 8.462 8.370 0.051 0.000 0.432 141 N N 0.400 119.141 118.700 0.068 0.000 2.479 141 N HA -0.389 4.562 4.740 0.088 -0.158 0.257 141 N C 1.021 176.581 175.510 0.083 0.000 1.232 141 N CA 1.287 54.384 53.050 0.078 0.000 0.920 141 N CB 0.125 38.653 38.487 0.067 0.000 1.105 141 N HN 0.292 8.708 8.380 0.060 0.000 0.444 142 G N 1.723 110.584 108.800 0.101 0.000 2.192 142 G HA2 -0.332 3.700 3.960 0.120 0.000 0.193 142 G HA3 -0.332 3.690 3.960 0.102 0.000 0.193 142 G C 0.049 175.041 174.900 0.152 0.000 0.999 142 G CA -0.022 45.148 45.100 0.117 0.000 0.659 142 G HN 0.250 8.815 8.290 0.108 -0.210 0.503 143 R N -0.705 119.882 120.500 0.146 0.000 2.310 143 R HA 0.003 4.471 4.340 0.215 0.000 0.202 143 R C -1.237 175.247 176.300 0.306 0.000 0.933 143 R CA 0.285 56.494 56.100 0.183 0.000 1.054 143 R CB 0.377 30.735 30.300 0.096 0.000 0.985 143 R HN 0.094 8.436 8.270 0.120 0.000 0.489 144 L N -1.977 119.381 121.223 0.226 0.000 2.334 144 L HA 0.358 4.862 4.340 0.273 0.000 0.270 144 L C -1.953 174.923 176.870 0.011 0.000 1.018 144 L CA -2.734 52.193 54.840 0.146 0.000 0.811 144 L CB 0.676 42.766 42.059 0.051 0.000 1.271 144 L HN -0.458 7.812 8.230 0.178 0.067 0.443 145 P HA -0.035 4.138 4.420 -0.411 0.000 0.272 145 P C -1.383 175.898 177.300 -0.032 0.000 1.223 145 P CA -0.784 62.057 63.100 -0.433 0.000 0.784 145 P CB 0.416 31.666 31.700 -0.749 0.000 0.923 146 D N -0.169 120.248 120.400 0.028 0.000 2.193 146 D HA 0.051 4.740 4.640 0.081 0.000 0.249 146 D C -0.435 175.898 176.300 0.055 0.000 1.034 146 D CA -0.865 53.152 54.000 0.029 0.000 0.902 146 D CB 1.795 42.534 40.800 -0.101 0.000 1.182 146 D HN 0.009 8.444 8.370 0.108 0.000 0.436 147 A N 2.316 125.189 122.820 0.089 0.000 2.044 147 A HA 0.084 4.431 4.320 0.045 0.000 0.213 147 A C -0.335 177.270 177.584 0.036 0.000 1.169 147 A CA 0.778 52.835 52.037 0.034 0.000 0.724 147 A CB 1.303 20.231 19.000 -0.119 0.000 0.840 147 A HN 0.323 8.557 8.150 0.140 0.000 0.463 148 D N -2.599 117.860 120.400 0.099 0.000 2.856 148 D HA -0.034 4.695 4.640 0.148 0.000 0.242 148 D C -0.922 175.412 176.300 0.056 0.000 1.226 148 D CA 0.668 54.738 54.000 0.118 0.000 0.855 148 D CB -0.950 39.938 40.800 0.146 0.000 1.065 148 D HN -0.150 8.293 8.370 0.120 0.000 0.462 149 K N -1.575 118.865 120.400 0.066 0.000 2.137 149 K HA 0.332 4.681 4.320 0.048 0.000 0.251 149 K C -2.088 174.612 176.600 0.166 0.000 1.048 149 K CA -1.945 54.382 56.287 0.066 0.000 0.873 149 K CB 2.837 35.308 32.500 -0.048 0.000 1.442 149 K HN -0.634 7.596 8.250 0.094 0.077 0.467 150 D N -4.943 115.585 120.400 0.214 0.000 2.687 150 D HA 0.103 4.872 4.640 0.215 0.000 0.264 150 D C 0.800 177.259 176.300 0.265 0.000 1.091 150 D CA -1.519 52.614 54.000 0.223 0.000 1.123 150 D CB 2.311 43.227 40.800 0.193 0.000 1.407 150 D HN -0.243 8.272 8.370 0.242 0.000 0.591 151 A N -1.010 121.960 122.820 0.251 0.000 1.958 151 A HA -0.291 4.284 4.320 0.424 0.000 0.221 151 A C 1.675 179.450 177.584 0.318 0.000 1.178 151 A CA 2.866 55.102 52.037 0.333 0.000 0.642 151 A CB -0.038 19.136 19.000 0.290 0.000 0.816 151 A HN 0.518 8.796 8.150 0.213 0.000 0.453 152 G N -3.578 105.362 108.800 0.234 0.000 2.430 152 G HA2 -0.188 3.871 3.960 0.165 0.000 0.216 152 G HA3 -0.188 3.873 3.960 0.168 0.000 0.216 152 G C 0.530 175.583 174.900 0.255 0.000 1.146 152 G CA 1.224 46.446 45.100 0.203 0.000 0.793 152 G HN -0.240 8.421 8.290 0.213 -0.244 0.537 153 Y N 3.458 123.865 120.300 0.178 0.000 2.293 153 Y HA -0.208 4.450 4.550 0.181 0.000 0.291 153 Y C 1.858 177.918 175.900 0.267 0.000 1.137 153 Y CA 2.359 60.575 58.100 0.192 0.000 1.202 153 Y CB 0.217 38.769 38.460 0.154 0.000 0.990 153 Y HN -0.640 7.871 8.280 0.385 0.000 0.537 154 V N -0.122 119.963 119.914 0.286 0.000 2.261 154 V HA -0.608 3.696 4.120 0.306 0.000 0.246 154 V C 1.821 178.157 176.094 0.404 0.000 1.047 154 V CA 4.750 67.249 62.300 0.333 0.000 1.015 154 V CB -0.900 31.118 31.823 0.326 0.000 0.642 154 V HN -0.474 7.922 8.190 0.378 0.021 0.446 155 R N -1.309 119.418 120.500 0.378 0.000 2.091 155 R HA -0.278 4.327 4.340 0.442 0.000 0.238 155 R C 2.549 178.993 176.300 0.240 0.000 1.136 155 R CA 3.575 59.883 56.100 0.346 0.000 0.959 155 R CB -0.028 30.405 30.300 0.222 0.000 0.856 155 R HN -0.158 8.333 8.270 0.369 0.000 0.437 156 T N -1.580 113.062 114.554 0.146 0.000 2.896 156 T HA -0.134 4.418 4.350 0.077 -0.156 0.263 156 T C 1.732 176.426 174.700 -0.009 0.000 1.050 156 T CA 2.925 65.062 62.100 0.061 0.000 1.140 156 T CB -0.154 68.735 68.868 0.036 0.000 0.877 156 T HN -0.576 7.742 8.240 0.143 0.008 0.457 157 F N 3.756 123.559 119.950 -0.246 0.000 2.126 157 F HA -0.408 3.920 4.527 -0.332 0.000 0.299 157 F C 1.536 177.220 175.800 -0.193 0.000 1.096 157 F CA 3.767 61.552 58.000 -0.358 0.000 1.255 157 F CB 0.173 38.822 39.000 -0.584 0.000 0.997 157 F HN 0.002 8.162 8.300 -0.047 0.113 0.479 158 F N -2.257 117.758 119.950 0.108 0.000 2.325 158 F HA -0.381 4.145 4.527 -0.001 0.000 0.299 158 F C 1.932 177.725 175.800 -0.012 0.000 1.090 158 F CA 4.048 62.084 58.000 0.059 0.000 1.392 158 F CB -0.305 38.786 39.000 0.152 0.000 1.053 158 F HN 0.160 8.731 8.300 0.436 -0.009 0.521 159 Q N -0.876 119.002 119.800 0.130 0.000 2.234 159 Q HA -0.394 4.016 4.340 0.117 0.000 0.206 159 Q C 2.025 178.014 176.000 -0.019 0.000 0.980 159 Q CA 2.809 58.656 55.803 0.074 0.000 0.869 159 Q CB -0.444 28.329 28.738 0.057 0.000 0.912 159 Q HN -0.427 7.821 8.270 0.127 0.098 0.436 160 R N -1.285 119.140 120.500 -0.124 0.000 2.152 160 R HA -0.270 3.962 4.340 -0.179 0.000 0.232 160 R C 1.321 177.506 176.300 -0.192 0.000 1.117 160 R CA 2.829 58.801 56.100 -0.213 0.000 0.981 160 R CB -0.088 30.001 30.300 -0.351 0.000 0.870 160 R HN -0.592 7.546 8.270 -0.175 0.027 0.451 161 L N -5.618 115.592 121.223 -0.021 0.000 2.585 161 L HA -0.020 4.580 4.340 0.432 0.000 0.226 161 L C -0.788 176.317 176.870 0.392 0.000 1.113 161 L CA -0.005 55.005 54.840 0.283 0.000 0.876 161 L CB 0.424 42.681 42.059 0.329 0.000 1.072 161 L HN -0.520 7.535 8.230 -0.040 0.151 0.468 162 N N -3.710 115.124 118.700 0.224 0.000 2.920 162 N HA -0.295 4.578 4.740 0.109 -0.068 0.247 162 N C -1.816 173.807 175.510 0.190 0.000 1.123 162 N CA 0.846 54.011 53.050 0.191 0.000 0.711 162 N CB -0.810 37.839 38.487 0.270 0.000 1.065 162 N HN -0.751 7.519 8.380 0.133 0.190 0.554 163 M N -4.655 115.080 119.600 0.224 0.000 2.456 163 M HA 0.491 5.188 4.480 0.134 -0.137 0.324 163 M C -0.445 175.937 176.300 0.136 0.000 1.124 163 M CA -2.731 52.676 55.300 0.179 0.000 0.959 163 M CB 2.005 34.734 32.600 0.217 0.000 1.692 163 M HN -0.818 7.631 8.290 0.264 0.000 0.444 164 N N 2.166 120.917 118.700 0.086 0.000 2.418 164 N HA 0.028 4.827 4.740 0.099 0.000 0.283 164 N C 0.102 175.659 175.510 0.078 0.000 1.267 164 N CA -0.642 52.457 53.050 0.081 0.000 0.975 164 N CB 0.609 39.135 38.487 0.064 0.000 1.167 164 N HN -0.068 8.355 8.380 0.073 0.000 0.581 165 D N -1.644 118.827 120.400 0.119 0.000 2.117 165 D HA -0.333 4.506 4.640 0.332 0.000 0.197 165 D C 1.993 178.376 176.300 0.139 0.000 0.987 165 D CA 4.672 58.800 54.000 0.213 0.000 0.829 165 D CB -0.109 40.808 40.800 0.195 0.000 0.961 165 D HN 0.223 8.651 8.370 0.097 0.000 0.460 166 R N -1.078 119.480 120.500 0.097 0.000 2.073 166 R HA -0.345 4.065 4.340 0.117 0.000 0.229 166 R C 1.993 178.372 176.300 0.132 0.000 1.120 166 R CA 3.316 59.483 56.100 0.112 0.000 0.967 166 R CB 0.155 30.517 30.300 0.102 0.000 0.862 166 R HN -0.468 7.997 8.270 0.084 -0.145 0.436 167 E N -1.568 118.670 120.200 0.063 0.000 2.204 167 E HA -0.283 4.103 4.350 0.060 0.000 0.194 167 E C 2.355 178.889 176.600 -0.110 0.000 0.989 167 E CA 2.960 59.368 56.400 0.013 0.000 0.824 167 E CB 0.079 29.781 29.700 0.003 0.000 0.756 167 E HN -0.597 8.048 8.360 0.056 -0.251 0.477 168 V N -3.533 116.247 119.914 -0.224 0.000 2.649 168 V HA -0.212 3.473 4.120 -0.725 0.000 0.248 168 V C 1.486 177.364 176.094 -0.360 0.000 1.054 168 V CA 3.542 65.514 62.300 -0.547 0.000 1.073 168 V CB -0.055 31.299 31.823 -0.782 0.000 0.699 168 V HN -0.497 7.480 8.190 -0.115 0.144 0.463 169 V N 1.258 121.091 119.914 -0.135 0.000 2.379 169 V HA -0.485 3.600 4.120 -0.058 0.000 0.245 169 V C 1.664 177.953 176.094 0.324 0.000 1.044 169 V CA 3.929 66.260 62.300 0.050 0.000 1.036 169 V CB -0.271 31.616 31.823 0.105 0.000 0.664 169 V HN -0.536 7.611 8.190 -0.071 0.000 0.453 170 A N -0.329 122.720 122.820 0.381 0.000 1.858 170 A HA -0.188 4.517 4.320 0.642 0.000 0.216 170 A C 2.557 180.441 177.584 0.500 0.000 1.190 170 A CA 2.806 55.145 52.037 0.503 0.000 0.617 170 A CB -0.329 18.871 19.000 0.332 0.000 0.827 170 A HN -0.321 8.004 8.150 0.291 0.000 0.443 171 L N -2.361 118.986 121.223 0.207 0.000 2.043 171 L HA -0.427 4.198 4.340 0.474 0.000 0.212 171 L C 2.590 179.413 176.870 -0.078 0.000 1.075 171 L CA 2.986 57.908 54.840 0.137 0.000 0.752 171 L CB -0.354 41.629 42.059 -0.126 0.000 0.891 171 L HN -0.468 7.805 8.230 0.072 0.000 0.432 172 M N -1.342 118.100 119.600 -0.263 0.000 2.296 172 M HA -0.255 3.711 4.480 -0.856 0.000 0.265 172 M C 1.830 177.541 176.300 -0.980 0.000 1.064 172 M CA 2.622 57.518 55.300 -0.674 0.000 1.109 172 M CB -0.502 31.752 32.600 -0.577 0.000 1.396 172 M HN -0.440 7.650 8.290 -0.175 0.095 0.430 173 G N -1.916 106.590 108.800 -0.490 0.000 2.501 173 G HA2 -0.321 2.810 3.960 -1.382 0.000 0.220 173 G HA3 -0.321 3.428 3.960 -0.351 0.000 0.220 173 G C 0.437 175.070 174.900 -0.446 0.000 1.114 173 G CA 1.693 46.373 45.100 -0.700 0.000 0.757 173 G HN -0.014 8.151 8.290 0.016 0.135 0.559 174 A N 1.827 124.454 122.820 -0.322 0.000 2.125 174 A HA -0.345 4.004 4.320 0.048 0.000 0.219 174 A C 0.918 178.293 177.584 -0.348 0.000 1.156 174 A CA 1.720 53.617 52.037 -0.234 0.000 0.671 174 A CB -0.683 18.146 19.000 -0.284 0.000 0.794 174 A HN -0.408 7.388 8.150 -0.307 0.170 0.459 175 H N -2.376 116.082 119.070 -1.020 0.000 2.562 175 H HA -0.134 3.550 4.556 -1.453 0.000 0.272 175 H C -0.071 174.747 175.328 -0.851 0.000 1.019 175 H CA 0.435 55.602 56.048 -1.468 0.000 1.160 175 H CB -0.471 28.038 29.762 -2.087 0.000 1.334 175 H HN 0.367 7.841 8.280 -1.026 0.190 0.611 176 A N -1.072 121.563 122.820 -0.308 0.000 2.067 176 A HA -0.091 4.275 4.320 0.078 0.000 0.217 176 A C -0.824 176.824 177.584 0.106 0.000 1.156 176 A CA 0.958 52.988 52.037 -0.011 0.000 0.683 176 A CB 0.971 19.959 19.000 -0.021 0.000 0.808 176 A HN -0.437 7.321 8.150 -0.302 0.211 0.455 177 L N -2.985 118.281 121.223 0.072 0.000 2.292 177 L HA 0.124 4.745 4.340 0.148 -0.192 0.284 177 L C 0.894 177.886 176.870 0.202 0.000 1.065 177 L CA -0.797 54.112 54.840 0.115 0.000 0.806 177 L CB 0.350 42.437 42.059 0.047 0.000 1.175 177 L HN -0.872 7.283 8.230 -0.047 0.047 0.431 178 G N 2.883 111.808 108.800 0.208 0.000 2.553 178 G HA2 -0.360 3.687 3.960 0.144 0.000 0.242 178 G HA3 -0.360 3.756 3.960 0.260 0.000 0.242 178 G C -2.747 172.292 174.900 0.232 0.000 1.277 178 G CA 0.416 45.650 45.100 0.224 0.000 0.910 178 G HN 0.735 9.004 8.290 0.159 0.116 0.576 179 K N -1.863 118.591 120.400 0.090 0.000 2.580 179 K HA 0.046 3.894 4.320 -0.786 0.000 0.288 179 K C -2.442 173.864 176.600 -0.489 0.000 1.041 179 K CA -1.227 54.810 56.287 -0.417 0.000 0.855 179 K CB 2.476 34.744 32.500 -0.387 0.000 1.543 179 K HN -0.386 7.961 8.250 0.161 0.000 0.388 180 T N -0.959 113.201 114.554 -0.657 0.000 2.902 180 T HA 0.411 4.718 4.350 -0.072 0.000 0.283 180 T C -0.447 174.063 174.700 -0.317 0.000 1.009 180 T CA -1.418 60.510 62.100 -0.286 0.000 1.051 180 T CB 1.767 70.530 68.868 -0.175 0.000 0.999 180 T HN 1.170 8.810 8.240 -0.760 0.144 0.474 181 H N 5.078 124.134 119.070 -0.023 0.000 2.551 181 H HA 0.369 5.051 4.556 -0.050 -0.156 0.321 181 H C 0.353 175.676 175.328 -0.008 0.000 1.028 181 H CA -1.032 55.000 56.048 -0.027 0.000 1.215 181 H CB 1.331 31.082 29.762 -0.020 0.000 1.414 181 H HN 0.553 8.945 8.280 0.186 0.000 0.480 182 L N 6.172 127.428 121.223 0.056 0.000 2.089 182 L HA -0.405 4.002 4.340 -0.013 -0.074 0.213 182 L C 1.274 178.155 176.870 0.019 0.000 1.079 182 L CA 3.931 58.776 54.840 0.009 0.000 0.758 182 L CB 0.323 42.368 42.059 -0.023 0.000 0.891 182 L HN 0.779 9.344 8.230 0.013 -0.328 0.433 183 K N -3.718 116.709 120.400 0.045 0.000 2.288 183 K HA -0.272 4.052 4.320 0.007 0.000 0.201 183 K C 0.686 177.303 176.600 0.030 0.000 1.048 183 K CA 2.552 58.854 56.287 0.026 0.000 0.956 183 K CB -0.852 31.662 32.500 0.023 0.000 0.746 183 K HN 0.065 8.340 8.250 0.073 0.019 0.461 184 N N -1.515 117.223 118.700 0.063 0.000 2.305 184 N HA -0.018 4.737 4.740 0.026 0.000 0.179 184 N C 0.268 175.819 175.510 0.068 0.000 1.019 184 N CA 2.046 55.130 53.050 0.057 0.000 0.869 184 N CB 0.953 39.490 38.487 0.085 0.000 1.000 184 N HN -0.199 8.098 8.380 0.107 0.147 0.431 185 S N -5.486 110.267 115.700 0.089 0.000 2.911 185 S HA 0.134 4.658 4.470 0.089 0.000 0.261 185 S C -0.021 174.569 174.600 -0.015 0.000 1.021 185 S CA -0.854 57.413 58.200 0.112 0.000 1.222 185 S CB 2.072 65.428 63.200 0.259 0.000 1.171 185 S HN -0.433 7.931 8.310 0.091 0.000 0.669 186 G N -0.120 108.604 108.800 -0.126 0.000 2.199 186 G HA2 -0.338 3.470 3.960 -0.253 0.000 0.254 186 G HA3 -0.338 3.309 3.960 -0.522 0.000 0.254 186 G C -1.235 173.315 174.900 -0.584 0.000 0.982 186 G CA 0.693 45.564 45.100 -0.381 0.000 0.632 186 G HN 0.006 8.153 8.290 -0.053 0.111 0.529 187 Y N -1.912 118.389 120.300 0.002 0.000 2.549 187 Y HA 0.145 4.678 4.550 -0.029 0.000 0.339 187 Y C -2.097 173.757 175.900 -0.075 0.000 1.053 187 Y CA -2.243 55.841 58.100 -0.028 0.000 1.105 187 Y CB 2.717 41.172 38.460 -0.007 0.000 1.258 187 Y HN -0.972 7.237 8.280 0.024 0.086 0.478 188 E N -0.333 119.892 120.200 0.040 0.000 2.291 188 E HA 0.207 4.685 4.350 -0.122 -0.201 0.276 188 E C -0.990 175.522 176.600 -0.146 0.000 0.896 188 E CA -1.268 55.084 56.400 -0.080 0.000 0.774 188 E CB 2.712 32.375 29.700 -0.061 0.000 1.227 188 E HN 0.147 8.559 8.360 0.087 0.000 0.413 189 G N 4.371 113.013 108.800 -0.263 0.000 2.340 189 G HA2 -0.128 3.715 3.960 -0.195 0.000 0.527 189 G HA3 -0.128 3.729 3.960 -0.173 0.000 0.527 189 G C -3.602 171.039 174.900 -0.431 0.000 1.381 189 G CA -0.346 44.605 45.100 -0.249 0.000 1.001 189 G HN 0.561 8.557 8.290 -0.334 0.094 0.626 190 P HA 0.480 4.622 4.420 -0.464 0.000 0.289 190 P C -0.151 177.032 177.300 -0.195 0.000 1.293 190 P CA -1.344 61.583 63.100 -0.288 0.000 0.897 190 P CB 1.828 33.516 31.700 -0.020 0.000 1.166 191 W N -0.568 120.767 121.300 0.058 0.000 2.518 191 W HA 0.276 5.230 4.660 0.170 -0.192 0.273 191 W C 0.438 176.897 176.519 -0.100 0.000 1.247 191 W CA 1.506 58.900 57.345 0.082 0.000 1.288 191 W CB 1.216 30.741 29.460 0.108 0.000 1.107 191 W HN 0.249 8.528 8.180 0.165 0.000 0.586 192 G N -5.474 103.327 108.800 0.001 0.000 2.706 192 G HA2 0.321 3.431 3.960 -1.416 0.000 0.307 192 G HA3 0.321 4.114 3.960 -0.279 0.000 0.307 192 G C -2.204 172.591 174.900 -0.174 0.000 1.307 192 G CA -0.214 44.602 45.100 -0.472 0.000 0.790 192 G HN -0.991 7.351 8.290 0.143 0.034 0.503 193 A N -1.023 121.699 122.820 -0.164 0.000 1.887 193 A HA 0.128 4.538 4.320 0.151 0.000 0.212 193 A C 0.832 178.448 177.584 0.052 0.000 1.198 193 A CA 1.542 53.615 52.037 0.059 0.000 0.628 193 A CB 1.179 20.243 19.000 0.108 0.000 0.847 193 A HN -0.073 8.143 8.150 -0.307 -0.250 0.449 194 A N -1.772 121.070 122.820 0.036 0.000 3.168 194 A HA 0.073 4.432 4.320 0.065 0.000 0.260 194 A C -0.482 177.150 177.584 0.081 0.000 1.598 194 A CA -1.220 50.853 52.037 0.060 0.000 1.285 194 A CB -1.500 17.535 19.000 0.058 0.000 1.149 194 A HN -0.499 7.904 8.150 0.005 -0.250 0.630 195 N N 1.391 120.144 118.700 0.088 0.000 2.503 195 N HA -0.331 4.666 4.740 0.133 -0.177 0.189 195 N C -0.186 175.390 175.510 0.109 0.000 1.048 195 N CA 2.279 55.395 53.050 0.110 0.000 0.905 195 N CB 0.133 38.679 38.487 0.099 0.000 0.951 195 N HN -0.103 8.282 8.380 0.080 0.043 0.446 196 N N -6.004 112.756 118.700 0.101 0.000 2.160 196 N HA 0.026 4.822 4.740 0.093 0.000 0.226 196 N C -1.199 174.379 175.510 0.113 0.000 1.256 196 N CA -0.582 52.526 53.050 0.097 0.000 0.890 196 N CB 1.201 39.737 38.487 0.083 0.000 1.116 196 N HN -0.300 8.058 8.380 0.096 0.079 0.517 197 V N -0.560 119.435 119.914 0.135 0.000 2.588 197 V HA 0.218 4.578 4.120 0.178 -0.134 0.304 197 V C -2.145 174.094 176.094 0.242 0.000 1.042 197 V CA -1.747 60.654 62.300 0.168 0.000 0.877 197 V CB 2.273 34.178 31.823 0.136 0.000 0.996 197 V HN -0.523 7.743 8.190 0.126 0.000 0.425 198 F N 8.767 128.767 119.950 0.084 0.000 2.468 198 F HA 0.125 4.690 4.527 0.063 0.000 0.356 198 F C -1.274 174.718 175.800 0.321 0.000 1.167 198 F CA 0.031 58.096 58.000 0.109 0.000 1.135 198 F CB -0.725 38.253 39.000 -0.036 0.000 1.197 198 F HN -0.076 8.444 8.300 0.367 0.000 0.569 199 T N 3.065 117.562 114.554 -0.094 0.000 2.591 199 T HA 0.314 4.685 4.350 0.034 0.000 0.274 199 T C -0.865 173.742 174.700 -0.156 0.000 0.945 199 T CA -2.108 59.958 62.100 -0.057 0.000 1.087 199 T CB 2.269 71.122 68.868 -0.024 0.000 1.416 199 T HN -0.520 7.653 8.240 -0.112 0.000 0.514 200 N N -2.441 116.196 118.700 -0.105 0.000 2.321 200 N HA 0.198 4.712 4.740 -0.377 0.000 0.242 200 N C 0.528 175.991 175.510 -0.077 0.000 1.141 200 N CA -0.932 52.029 53.050 -0.147 0.000 0.864 200 N CB 0.293 38.742 38.487 -0.063 0.000 1.100 200 N HN 0.249 8.580 8.380 -0.082 0.000 0.510 201 E N 1.017 121.162 120.200 -0.092 0.000 2.097 201 E HA -0.438 3.879 4.350 -0.055 0.000 0.196 201 E C 0.793 177.334 176.600 -0.098 0.000 1.000 201 E CA 3.224 59.581 56.400 -0.071 0.000 0.804 201 E CB -0.063 29.599 29.700 -0.062 0.000 0.740 201 E HN -0.593 7.613 8.360 -0.101 0.094 0.454 202 F N -0.651 119.102 119.950 -0.328 0.000 2.039 202 F HA -0.441 3.919 4.527 -0.278 0.000 0.296 202 F C 1.388 176.931 175.800 -0.428 0.000 1.119 202 F CA 3.668 61.389 58.000 -0.466 0.000 1.211 202 F CB -0.400 38.100 39.000 -0.833 0.000 0.956 202 F HN 0.115 8.370 8.300 -0.071 0.002 0.496 203 Y N -4.456 115.648 120.300 -0.327 0.000 2.200 203 Y HA -0.359 3.900 4.550 -0.485 0.000 0.290 203 Y C 2.278 178.053 175.900 -0.208 0.000 1.137 203 Y CA 3.590 61.494 58.100 -0.327 0.000 1.163 203 Y CB -0.590 37.758 38.460 -0.187 0.000 0.988 203 Y HN -0.848 7.060 8.280 -0.620 0.000 0.518 204 L N -1.057 120.168 121.223 0.004 0.000 2.141 204 L HA -0.370 3.979 4.340 0.014 0.000 0.209 204 L C 2.265 179.142 176.870 0.011 0.000 1.094 204 L CA 2.870 57.713 54.840 0.004 0.000 0.763 204 L CB -0.430 41.628 42.059 -0.001 0.000 0.908 204 L HN -0.409 7.748 8.230 0.003 0.075 0.437 205 N N -0.389 118.307 118.700 -0.006 0.000 2.106 205 N HA -0.261 4.555 4.740 0.127 0.000 0.188 205 N C 2.285 177.996 175.510 0.335 0.000 1.029 205 N CA 3.023 56.154 53.050 0.135 0.000 0.848 205 N CB -0.504 38.056 38.487 0.122 0.000 1.007 205 N HN 0.162 8.477 8.380 -0.076 0.019 0.423 206 L N 0.090 121.381 121.223 0.113 0.000 1.978 206 L HA -0.282 4.106 4.340 0.080 0.000 0.218 206 L C 1.838 178.834 176.870 0.209 0.000 1.075 206 L CA 3.263 58.113 54.840 0.015 0.000 0.767 206 L CB -0.287 41.504 42.059 -0.448 0.000 0.890 206 L HN -0.403 7.740 8.230 -0.146 0.000 0.434 207 L N -8.366 112.899 121.223 0.070 0.000 2.446 207 L HA 0.022 4.416 4.340 0.091 0.000 0.219 207 L C 1.054 177.969 176.870 0.075 0.000 1.116 207 L CA 2.128 57.005 54.840 0.061 0.000 0.844 207 L CB -0.057 41.998 42.059 -0.006 0.000 0.970 207 L HN -0.529 7.701 8.230 0.002 0.000 0.457 208 N N -2.913 115.830 118.700 0.072 0.000 2.368 208 N HA 0.056 4.803 4.740 0.012 0.000 0.178 208 N C 0.384 175.874 175.510 -0.033 0.000 1.076 208 N CA 1.206 54.267 53.050 0.019 0.000 0.889 208 N CB 1.139 39.632 38.487 0.010 0.000 1.040 208 N HN -0.035 8.210 8.380 0.094 0.192 0.463 209 E N 0.373 120.530 120.200 -0.072 0.000 2.397 209 E HA -0.060 4.117 4.350 -0.289 0.000 0.254 209 E C -0.806 175.524 176.600 -0.450 0.000 1.231 209 E CA -0.277 55.886 56.400 -0.394 0.000 0.954 209 E CB 0.656 29.823 29.700 -0.888 0.000 1.024 209 E HN -0.336 7.955 8.360 0.061 0.106 0.481 210 D N 0.614 120.685 120.400 -0.548 0.000 2.461 210 D HA 0.133 4.708 4.640 -0.108 0.000 0.240 210 D C -1.153 174.945 176.300 -0.338 0.000 1.094 210 D CA -0.418 53.413 54.000 -0.281 0.000 0.868 210 D CB 0.505 41.199 40.800 -0.176 0.000 1.062 210 D HN 0.342 8.324 8.370 -0.647 0.000 0.530 211 W N 2.508 123.909 121.300 0.168 0.000 2.438 211 W HA 0.320 5.281 4.660 0.213 -0.174 0.324 211 W C -0.146 176.565 176.519 0.320 0.000 1.119 211 W CA -1.386 56.106 57.345 0.245 0.000 1.221 211 W CB 1.829 31.435 29.460 0.244 0.000 1.253 211 W HN 0.241 8.564 8.180 0.238 0.000 0.555 212 K N 1.953 122.656 120.400 0.505 0.000 2.378 212 K HA 0.377 4.854 4.320 0.263 0.000 0.252 212 K C -2.101 174.521 176.600 0.037 0.000 0.931 212 K CA -1.299 55.135 56.287 0.245 0.000 0.794 212 K CB 3.332 35.893 32.500 0.101 0.000 1.181 212 K HN 0.502 9.062 8.250 0.516 0.000 0.425 213 L N 3.608 124.587 121.223 -0.407 0.000 2.379 213 L HA 0.686 4.585 4.340 -0.886 -0.091 0.269 213 L C -1.052 175.585 176.870 -0.389 0.000 1.084 213 L CA -0.248 54.074 54.840 -0.863 0.000 0.802 213 L CB 1.736 42.922 42.059 -1.455 0.000 1.175 213 L HN 0.258 8.289 8.230 -0.332 0.000 0.448 214 E N 2.339 122.352 120.200 -0.312 0.000 2.422 214 E HA 0.220 4.478 4.350 -0.154 0.000 0.280 214 E C -2.710 173.809 176.600 -0.134 0.000 1.091 214 E CA -1.357 54.942 56.400 -0.167 0.000 0.849 214 E CB 4.280 33.924 29.700 -0.093 0.000 1.353 214 E HN 1.099 9.134 8.360 -0.385 0.094 0.449 215 K N -0.296 120.048 120.400 -0.093 0.000 2.182 215 K HA 0.757 5.182 4.320 -0.074 -0.149 0.262 215 K C -0.250 176.317 176.600 -0.055 0.000 0.957 215 K CA -1.192 55.051 56.287 -0.073 0.000 0.842 215 K CB 1.354 33.812 32.500 -0.069 0.000 1.099 215 K HN 0.162 8.360 8.250 -0.087 0.000 0.438 216 N N 3.786 122.453 118.700 -0.054 0.000 2.514 216 N HA 0.026 4.741 4.740 -0.043 0.000 0.299 216 N C 0.075 175.548 175.510 -0.061 0.000 1.292 216 N CA -0.922 52.097 53.050 -0.052 0.000 0.963 216 N CB 0.475 38.931 38.487 -0.052 0.000 1.124 216 N HN 0.774 9.012 8.380 -0.060 0.106 0.580 217 D N -2.777 117.586 120.400 -0.061 0.000 2.333 217 D HA -0.062 4.549 4.640 -0.049 0.000 0.208 217 D C 0.152 176.413 176.300 -0.066 0.000 0.984 217 D CA 2.230 56.197 54.000 -0.055 0.000 0.873 217 D CB -0.130 40.642 40.800 -0.046 0.000 0.935 217 D HN 0.312 8.645 8.370 -0.060 0.000 0.521 218 A N -2.304 120.462 122.820 -0.091 0.000 2.208 218 A HA -0.027 4.243 4.320 -0.084 0.000 0.209 218 A C 0.299 177.818 177.584 -0.110 0.000 1.161 218 A CA 0.310 52.282 52.037 -0.109 0.000 0.782 218 A CB 0.452 19.355 19.000 -0.161 0.000 0.816 218 A HN -0.576 7.615 8.150 -0.098 -0.099 0.477 219 N N -5.329 113.312 118.700 -0.099 0.000 3.003 219 N HA -0.313 4.488 4.740 -0.071 -0.104 0.237 219 N C -1.604 173.850 175.510 -0.092 0.000 0.969 219 N CA 1.113 54.114 53.050 -0.082 0.000 0.941 219 N CB -0.879 37.569 38.487 -0.065 0.000 1.098 219 N HN -0.268 8.024 8.380 -0.095 0.031 0.563 220 N N -1.904 116.718 118.700 -0.131 0.000 2.482 220 N HA 0.232 4.925 4.740 -0.079 0.000 0.279 220 N C -1.674 173.806 175.510 -0.051 0.000 1.182 220 N CA 0.193 53.173 53.050 -0.117 0.000 0.969 220 N CB 2.396 40.706 38.487 -0.295 0.000 1.201 220 N HN -0.133 8.437 8.380 -0.160 -0.286 0.523 221 E N -1.606 118.596 120.200 0.003 0.000 2.202 221 E HA 0.654 5.049 4.350 -0.072 -0.087 0.272 221 E C -1.090 175.531 176.600 0.035 0.000 0.951 221 E CA -1.025 55.348 56.400 -0.045 0.000 0.813 221 E CB 2.409 32.032 29.700 -0.128 0.000 1.151 221 E HN 0.414 8.796 8.360 0.036 0.000 0.398 222 Q N -1.754 118.004 119.800 -0.070 0.000 2.534 222 Q HA 0.356 4.699 4.340 0.005 0.000 0.290 222 Q C -2.090 173.798 176.000 -0.187 0.000 0.991 222 Q CA -1.609 54.184 55.803 -0.015 0.000 0.783 222 Q CB 3.056 31.888 28.738 0.156 0.000 1.470 222 Q HN 0.988 9.053 8.270 -0.137 0.122 0.406 223 W N -0.660 120.641 121.300 0.002 0.000 2.331 223 W HA 0.334 5.132 4.660 0.030 -0.120 0.306 223 W C -0.395 176.280 176.519 0.260 0.000 1.162 223 W CA -0.582 56.788 57.345 0.043 0.000 1.232 223 W CB 1.094 30.457 29.460 -0.162 0.000 1.235 223 W HN -0.060 8.282 8.180 0.271 0.000 0.479 224 D N 3.806 124.500 120.400 0.491 0.000 2.350 224 D HA 0.790 5.875 4.640 0.471 -0.163 0.245 224 D C -0.675 175.837 176.300 0.353 0.000 1.036 224 D CA -0.614 53.625 54.000 0.398 0.000 0.848 224 D CB 4.550 45.440 40.800 0.150 0.000 1.307 224 D HN 0.989 9.476 8.370 0.375 0.108 0.469 225 S N 1.363 117.130 115.700 0.111 0.000 2.638 225 S HA 0.917 5.389 4.470 -0.352 -0.213 0.298 225 S C 1.743 176.190 174.600 -0.255 0.000 1.111 225 S CA -1.635 56.337 58.200 -0.380 0.000 1.027 225 S CB 3.101 65.711 63.200 -0.983 0.000 1.064 225 S HN 0.781 9.115 8.310 0.226 0.112 0.525 226 K N 2.989 123.234 120.400 -0.259 0.000 2.152 226 K HA -0.247 3.984 4.320 -0.148 0.000 0.206 226 K C 1.510 177.954 176.600 -0.259 0.000 1.048 226 K CA 2.442 58.608 56.287 -0.201 0.000 0.933 226 K CB -0.649 31.753 32.500 -0.163 0.000 0.721 226 K HN 0.542 8.619 8.250 -0.289 0.000 0.447 227 S N -1.087 114.380 115.700 -0.389 0.000 2.595 227 S HA -0.127 4.122 4.470 -0.368 0.000 0.235 227 S C 0.633 174.795 174.600 -0.730 0.000 0.974 227 S CA 0.594 58.465 58.200 -0.549 0.000 0.942 227 S CB 0.074 62.865 63.200 -0.681 0.000 0.766 227 S HN -0.205 7.827 8.310 -0.405 0.035 0.536 228 G N -1.069 107.416 108.800 -0.525 0.000 2.176 228 G HA2 -0.364 3.476 3.960 -0.199 0.000 0.232 228 G HA3 -0.364 3.398 3.960 -0.329 0.000 0.232 228 G C -0.503 174.249 174.900 -0.247 0.000 0.986 228 G CA 0.055 44.943 45.100 -0.352 0.000 0.643 228 G HN -0.499 7.467 8.290 -0.392 0.088 0.522 229 Y N -2.083 118.251 120.300 0.056 0.000 2.392 229 Y HA 0.175 4.898 4.550 0.079 -0.126 0.323 229 Y C -0.653 175.438 175.900 0.319 0.000 1.291 229 Y CA -2.177 56.026 58.100 0.172 0.000 1.345 229 Y CB 1.013 39.660 38.460 0.311 0.000 1.320 229 Y HN -0.782 6.954 8.280 -0.824 0.049 0.518 230 M N -4.259 115.606 119.600 0.443 0.000 2.619 230 M HA 1.091 6.082 4.480 0.466 -0.232 0.297 230 M C -1.294 175.077 176.300 0.119 0.000 1.229 230 M CA -1.107 54.370 55.300 0.295 0.000 0.860 230 M CB 4.542 37.167 32.600 0.041 0.000 1.741 230 M HN 0.014 8.499 8.290 0.325 0.000 0.462 231 M N -1.740 117.874 119.600 0.023 0.000 2.386 231 M HA 0.398 5.023 4.480 0.242 0.000 0.293 231 M C -1.859 174.534 176.300 0.155 0.000 1.120 231 M CA -1.623 53.673 55.300 -0.008 0.000 0.909 231 M CB 3.784 36.069 32.600 -0.524 0.000 1.661 231 M HN 0.427 8.805 8.290 0.148 0.000 0.452 232 L N 3.171 124.535 121.223 0.236 0.000 2.453 232 L HA 0.347 4.674 4.340 -0.021 0.000 0.261 232 L C -0.193 176.791 176.870 0.190 0.000 1.179 232 L CA -1.651 53.245 54.840 0.094 0.000 0.813 232 L CB -0.711 41.362 42.059 0.023 0.000 1.110 232 L HN -0.031 8.691 8.230 0.455 -0.219 0.466 233 P HA -0.327 4.381 4.420 0.480 0.000 0.218 233 P C 1.192 178.617 177.300 0.209 0.000 1.165 233 P CA 3.329 66.604 63.100 0.291 0.000 0.922 233 P CB -0.146 31.686 31.700 0.220 0.000 0.794 234 T N -5.410 109.230 114.554 0.143 0.000 2.822 234 T HA -0.334 4.102 4.350 0.143 0.000 0.270 234 T C 1.130 175.880 174.700 0.084 0.000 1.064 234 T CA 2.908 65.081 62.100 0.122 0.000 1.131 234 T CB -0.765 68.167 68.868 0.107 0.000 0.858 234 T HN -0.103 8.202 8.240 0.109 0.000 0.483 235 D N 0.361 120.826 120.400 0.109 0.000 2.149 235 D HA -0.093 4.607 4.640 0.101 0.000 0.206 235 D C 1.946 178.214 176.300 -0.052 0.000 0.967 235 D CA 2.729 56.787 54.000 0.098 0.000 0.848 235 D CB 0.132 41.079 40.800 0.244 0.000 0.998 235 D HN 0.064 8.360 8.370 0.146 0.162 0.474 236 Y N 1.902 122.059 120.300 -0.239 0.000 2.193 236 Y HA -0.411 3.802 4.550 -0.562 0.000 0.285 236 Y C 1.838 177.580 175.900 -0.264 0.000 1.166 236 Y CA 3.068 60.891 58.100 -0.463 0.000 1.181 236 Y CB 0.201 38.134 38.460 -0.877 0.000 0.976 236 Y HN 0.070 8.390 8.280 0.068 0.000 0.520 237 S N -0.851 114.841 115.700 -0.015 0.000 2.465 237 S HA -0.371 4.111 4.470 0.021 0.000 0.241 237 S C 1.566 176.178 174.600 0.021 0.000 1.000 237 S CA 3.095 61.319 58.200 0.040 0.000 0.964 237 S CB -0.364 62.929 63.200 0.155 0.000 0.763 237 S HN 0.395 8.733 8.310 0.080 0.019 0.512 238 L N -0.897 120.281 121.223 -0.075 0.000 2.240 238 L HA -0.189 4.218 4.340 0.112 0.000 0.211 238 L C 0.747 177.577 176.870 -0.067 0.000 1.106 238 L CA 2.303 57.116 54.840 -0.045 0.000 0.793 238 L CB 0.315 42.303 42.059 -0.118 0.000 0.927 238 L HN -0.413 7.535 8.230 -0.131 0.203 0.446 239 I N -8.875 111.528 120.570 -0.278 0.000 3.860 239 I HA 0.015 4.090 4.170 -0.158 0.000 0.319 239 I C 0.666 176.625 176.117 -0.263 0.000 1.279 239 I CA 0.259 61.383 61.300 -0.293 0.000 1.220 239 I CB 0.665 38.410 38.000 -0.426 0.000 1.027 239 I HN -0.358 7.462 8.210 -0.431 0.132 0.428 240 Q N -1.132 118.522 119.800 -0.244 0.000 2.389 240 Q HA -0.120 4.143 4.340 -0.128 0.000 0.204 240 Q C 0.061 176.039 176.000 -0.036 0.000 0.944 240 Q CA 1.221 56.951 55.803 -0.121 0.000 0.908 240 Q CB 0.931 29.638 28.738 -0.052 0.000 1.002 240 Q HN -0.722 7.278 8.270 -0.269 0.109 0.493 241 D N 0.056 120.456 120.400 -0.001 0.000 2.317 241 D HA 0.386 4.997 4.640 -0.048 0.000 0.234 241 D C -1.151 175.117 176.300 -0.054 0.000 1.112 241 D CA -2.860 51.120 54.000 -0.032 0.000 0.840 241 D CB 1.358 42.110 40.800 -0.080 0.000 1.078 241 D HN -0.727 7.627 8.370 0.031 0.034 0.486 242 P HA -0.188 4.200 4.420 -0.054 0.000 0.218 242 P C 0.324 177.579 177.300 -0.075 0.000 1.146 242 P CA 1.939 65.000 63.100 -0.065 0.000 0.813 242 P CB 0.315 31.979 31.700 -0.060 0.000 0.778 243 K N -5.841 114.486 120.400 -0.123 0.000 2.242 243 K HA -0.022 4.245 4.320 -0.089 0.000 0.200 243 K C 1.505 178.077 176.600 -0.046 0.000 1.050 243 K CA 1.705 57.914 56.287 -0.131 0.000 0.981 243 K CB 0.127 32.497 32.500 -0.216 0.000 0.795 243 K HN -0.194 7.890 8.250 -0.169 0.065 0.477 244 Y N -0.185 120.081 120.300 -0.058 0.000 2.206 244 Y HA -0.164 4.352 4.550 -0.055 0.000 0.292 244 Y C 1.626 177.473 175.900 -0.088 0.000 1.123 244 Y CA 0.192 58.256 58.100 -0.059 0.000 1.142 244 Y CB 0.071 38.507 38.460 -0.041 0.000 1.006 244 Y HN -0.704 7.429 8.280 -0.080 0.098 0.518 245 L N -1.787 119.480 121.223 0.074 0.000 2.187 245 L HA -0.345 3.972 4.340 -0.038 0.000 0.213 245 L C 1.685 178.517 176.870 -0.064 0.000 1.100 245 L CA 3.505 58.330 54.840 -0.025 0.000 0.765 245 L CB -0.789 41.239 42.059 -0.053 0.000 0.904 245 L HN 0.325 8.601 8.230 0.076 0.000 0.437 246 S N -2.062 113.597 115.700 -0.069 0.000 2.478 246 S HA -0.142 4.265 4.470 -0.106 0.000 0.222 246 S C 2.064 176.556 174.600 -0.181 0.000 1.008 246 S CA 2.536 60.671 58.200 -0.107 0.000 0.928 246 S CB -0.084 63.063 63.200 -0.089 0.000 0.781 246 S HN -0.384 7.872 8.310 -0.045 0.027 0.518 247 I N 3.399 123.852 120.570 -0.195 0.000 2.406 247 I HA -0.283 3.576 4.170 -0.518 0.000 0.249 247 I C 1.175 176.961 176.117 -0.551 0.000 1.122 247 I CA 3.651 64.703 61.300 -0.413 0.000 1.431 247 I CB 0.022 37.849 38.000 -0.289 0.000 1.087 247 I HN -0.407 7.612 8.210 -0.102 0.130 0.424 248 V N 0.195 119.950 119.914 -0.266 0.000 2.407 248 V HA -0.523 3.422 4.120 -0.291 0.000 0.248 248 V C 1.956 177.911 176.094 -0.232 0.000 1.055 248 V CA 4.507 66.692 62.300 -0.193 0.000 1.049 248 V CB -0.861 30.957 31.823 -0.008 0.000 0.662 248 V HN 0.234 8.337 8.190 -0.145 0.000 0.455 249 K N -1.587 118.694 120.400 -0.200 0.000 2.116 249 K HA -0.266 3.990 4.320 -0.107 0.000 0.203 249 K C 2.217 178.713 176.600 -0.173 0.000 1.052 249 K CA 3.074 59.274 56.287 -0.146 0.000 0.952 249 K CB -0.100 32.335 32.500 -0.108 0.000 0.729 249 K HN -0.725 7.285 8.250 -0.193 0.125 0.446 250 E N 0.575 120.619 120.200 -0.261 0.000 2.021 250 E HA -0.362 3.897 4.350 -0.151 0.000 0.200 250 E C 2.475 178.992 176.600 -0.139 0.000 1.015 250 E CA 3.390 59.645 56.400 -0.241 0.000 0.824 250 E CB -0.265 29.169 29.700 -0.444 0.000 0.762 250 E HN -0.705 7.471 8.360 -0.306 0.000 0.454 251 Y N -3.178 116.945 120.300 -0.295 0.000 2.241 251 Y HA -0.190 4.227 4.550 -0.222 0.000 0.286 251 Y C 1.979 177.680 175.900 -0.333 0.000 1.166 251 Y CA 1.075 58.920 58.100 -0.426 0.000 1.203 251 Y CB -0.775 37.065 38.460 -1.033 0.000 0.977 251 Y HN -0.245 7.615 8.280 -0.700 0.000 0.529 252 A N -4.563 118.195 122.820 -0.103 0.000 2.119 252 A HA -0.163 4.176 4.320 0.032 0.000 0.217 252 A C 0.724 178.296 177.584 -0.020 0.000 1.153 252 A CA 1.362 53.387 52.037 -0.019 0.000 0.692 252 A CB -0.145 18.849 19.000 -0.009 0.000 0.799 252 A HN -0.609 7.327 8.150 -0.154 0.122 0.458 253 N N -2.511 116.174 118.700 -0.026 0.000 2.432 253 N HA 0.011 4.738 4.740 -0.021 0.000 0.174 253 N C -0.467 175.039 175.510 -0.007 0.000 1.037 253 N CA 1.227 54.265 53.050 -0.020 0.000 0.892 253 N CB 1.494 39.964 38.487 -0.029 0.000 1.049 253 N HN -0.234 7.932 8.380 -0.039 0.191 0.442 254 D N -1.627 118.785 120.400 0.019 0.000 2.358 254 D HA 0.311 4.949 4.640 -0.003 0.000 0.253 254 D C 0.761 177.092 176.300 0.052 0.000 1.288 254 D CA -0.009 54.010 54.000 0.031 0.000 0.950 254 D CB 0.765 41.594 40.800 0.049 0.000 1.197 254 D HN -0.239 8.051 8.370 0.035 0.101 0.550 255 Q N 6.808 126.589 119.800 -0.033 0.000 2.124 255 Q HA -0.293 4.068 4.340 0.035 0.000 0.202 255 Q C 1.070 176.984 176.000 -0.142 0.000 0.977 255 Q CA 1.816 57.553 55.803 -0.111 0.000 0.850 255 Q CB 0.312 28.865 28.738 -0.308 0.000 0.901 255 Q HN 0.495 nan 8.270 nan 0.000 0.429 256 D N -0.619 119.722 120.400 -0.098 0.000 2.104 256 D HA -0.306 4.308 4.640 -0.043 0.000 0.194 256 D C 1.898 178.244 176.300 0.077 0.000 0.994 256 D CA 3.064 57.049 54.000 -0.025 0.000 0.830 256 D CB -0.042 40.756 40.800 -0.003 0.000 0.959 256 D HN 0.166 8.472 8.370 -0.079 0.017 0.452 257 K N -0.021 120.436 120.400 0.095 0.000 2.009 257 K HA -0.318 4.081 4.320 0.130 0.000 0.210 257 K C 1.696 178.353 176.600 0.094 0.000 1.049 257 K CA 3.049 59.427 56.287 0.151 0.000 0.929 257 K CB -0.301 32.341 32.500 0.237 0.000 0.714 257 K HN -0.881 7.572 8.250 0.077 -0.156 0.440 258 F N 0.975 120.814 119.950 -0.186 0.000 2.065 258 F HA -0.391 3.323 4.527 -1.355 0.000 0.298 258 F C 1.232 177.025 175.800 -0.013 0.000 1.112 258 F CA 2.691 60.355 58.000 -0.560 0.000 1.212 258 F CB -0.304 38.428 39.000 -0.446 0.000 0.975 258 F HN -0.517 7.890 8.300 0.178 0.000 0.476 259 F N -1.230 118.514 119.950 -0.344 0.000 2.126 259 F HA -0.500 3.709 4.527 -0.531 0.000 0.299 259 F C 2.374 178.078 175.800 -0.159 0.000 1.096 259 F CA 2.827 60.640 58.000 -0.312 0.000 1.255 259 F CB -0.875 38.064 39.000 -0.102 0.000 0.997 259 F HN 0.762 9.011 8.300 0.222 0.184 0.479 260 K N -0.449 120.012 120.400 0.102 0.000 2.097 260 K HA -0.251 4.103 4.320 0.057 0.000 0.205 260 K C 2.658 179.269 176.600 0.018 0.000 1.050 260 K CA 3.311 59.633 56.287 0.058 0.000 0.938 260 K CB -0.132 32.410 32.500 0.071 0.000 0.718 260 K HN 0.410 8.550 8.250 0.129 0.187 0.442 261 D N 0.669 121.071 120.400 0.003 0.000 2.123 261 D HA -0.220 4.446 4.640 0.044 0.000 0.200 261 D C 2.008 178.306 176.300 -0.003 0.000 0.976 261 D CA 4.366 58.385 54.000 0.032 0.000 0.831 261 D CB 0.015 40.893 40.800 0.131 0.000 0.974 261 D HN 0.261 8.432 8.370 -0.019 0.188 0.469 262 F N 1.684 121.484 119.950 -0.250 0.000 2.091 262 F HA -0.478 3.989 4.527 -0.100 0.000 0.299 262 F C 0.864 176.607 175.800 -0.095 0.000 1.103 262 F CA 4.252 62.115 58.000 -0.228 0.000 1.228 262 F CB 0.128 38.810 39.000 -0.531 0.000 0.984 262 F HN 0.512 8.609 8.300 -0.155 0.111 0.477 263 S N -1.377 114.252 115.700 -0.118 0.000 2.368 263 S HA -0.416 3.929 4.470 -0.209 0.000 0.225 263 S C 1.879 176.395 174.600 -0.140 0.000 1.030 263 S CA 4.327 62.445 58.200 -0.135 0.000 0.999 263 S CB -0.624 62.562 63.200 -0.023 0.000 0.844 263 S HN -0.182 8.116 8.310 -0.021 0.000 0.459 264 K N 2.322 122.665 120.400 -0.095 0.000 2.026 264 K HA -0.331 3.946 4.320 -0.070 0.000 0.208 264 K C 2.079 178.621 176.600 -0.097 0.000 1.048 264 K CA 2.908 59.150 56.287 -0.075 0.000 0.929 264 K CB -0.114 32.365 32.500 -0.034 0.000 0.713 264 K HN -0.615 7.468 8.250 -0.071 0.125 0.439 265 A N 0.985 123.735 122.820 -0.117 0.000 1.877 265 A HA -0.102 4.341 4.320 -0.051 -0.154 0.216 265 A C 1.983 179.493 177.584 -0.123 0.000 1.186 265 A CA 2.898 54.875 52.037 -0.101 0.000 0.620 265 A CB -0.436 18.518 19.000 -0.076 0.000 0.822 265 A HN 0.454 8.428 8.150 -0.112 0.109 0.443 266 F N -0.388 119.217 119.950 -0.576 0.000 2.091 266 F HA -0.423 3.889 4.527 -0.360 0.000 0.299 266 F C 1.782 177.446 175.800 -0.227 0.000 1.103 266 F CA 2.492 60.182 58.000 -0.516 0.000 1.228 266 F CB 0.016 38.467 39.000 -0.916 0.000 0.984 266 F HN 0.868 8.717 8.300 -0.544 0.125 0.477 267 E N -0.741 119.342 120.200 -0.194 0.000 2.106 267 E HA -0.474 3.716 4.350 -0.267 0.000 0.192 267 E C 2.323 178.808 176.600 -0.191 0.000 0.984 267 E CA 3.284 59.556 56.400 -0.213 0.000 0.806 267 E CB -0.252 29.370 29.700 -0.131 0.000 0.750 267 E HN -0.227 8.043 8.360 -0.149 0.000 0.458 268 K N -0.200 120.118 120.400 -0.137 0.000 2.097 268 K HA -0.279 3.970 4.320 -0.118 0.000 0.206 268 K C 2.453 178.987 176.600 -0.111 0.000 1.049 268 K CA 3.193 59.415 56.287 -0.108 0.000 0.933 268 K CB -0.165 32.301 32.500 -0.056 0.000 0.717 268 K HN -0.305 7.789 8.250 -0.123 0.083 0.442 269 L N -1.840 119.334 121.223 -0.082 0.000 2.079 269 L HA -0.343 4.036 4.340 0.066 0.000 0.210 269 L C 1.187 177.994 176.870 -0.104 0.000 1.081 269 L CA 2.820 57.654 54.840 -0.010 0.000 0.752 269 L CB 0.181 42.316 42.059 0.126 0.000 0.896 269 L HN 0.240 8.216 8.230 -0.087 0.202 0.433 270 L N -5.909 115.179 121.223 -0.225 0.000 2.341 270 L HA -0.159 4.099 4.340 -0.137 0.000 0.214 270 L C 1.637 178.424 176.870 -0.138 0.000 1.115 270 L CA 1.712 56.436 54.840 -0.194 0.000 0.820 270 L CB 0.405 42.307 42.059 -0.261 0.000 0.944 270 L HN -0.749 7.171 8.230 -0.289 0.136 0.452 271 E N -2.803 117.306 120.200 -0.151 0.000 2.474 271 E HA -0.061 4.281 4.350 -0.013 0.000 0.194 271 E C -0.323 176.146 176.600 -0.218 0.000 1.041 271 E CA 0.433 56.783 56.400 -0.083 0.000 0.874 271 E CB 0.416 30.109 29.700 -0.012 0.000 0.914 271 E HN -0.529 7.728 8.360 -0.173 0.000 0.498 272 N N 0.238 118.683 118.700 -0.424 0.000 2.294 272 N HA -0.314 3.932 4.740 -0.823 0.000 0.263 272 N C 0.459 175.303 175.510 -1.110 0.000 1.281 272 N CA 2.287 54.775 53.050 -0.937 0.000 0.846 272 N CB 0.025 37.778 38.487 -1.224 0.000 1.061 272 N HN -0.803 7.374 8.380 -0.338 0.000 0.478 273 G N -0.185 108.050 108.800 -0.942 0.000 2.175 273 G HA2 -0.357 3.846 3.960 0.090 0.000 0.244 273 G HA3 -0.357 3.420 3.960 -0.305 0.000 0.244 273 G C -1.088 173.723 174.900 -0.149 0.000 0.982 273 G CA 0.217 45.122 45.100 -0.325 0.000 0.641 273 G HN 0.347 8.171 8.290 -0.777 0.000 0.527 274 I N 0.856 121.264 120.570 -0.270 0.000 2.404 274 I HA 0.116 4.166 4.170 -0.403 -0.122 0.293 274 I C -0.887 174.963 176.117 -0.446 0.000 0.992 274 I CA -1.090 59.969 61.300 -0.402 0.000 1.149 274 I CB 2.112 39.820 38.000 -0.487 0.000 1.315 274 I HN -0.677 7.301 8.210 -0.299 0.052 0.446 275 T N 8.188 122.465 114.554 -0.461 0.000 2.758 275 T HA 0.319 4.567 4.350 -0.170 0.000 0.285 275 T C -1.184 173.257 174.700 -0.432 0.000 0.981 275 T CA -0.995 60.922 62.100 -0.304 0.000 0.965 275 T CB 1.174 69.939 68.868 -0.172 0.000 0.927 275 T HN 1.270 9.113 8.240 -0.454 0.124 0.448 276 F N 6.803 126.708 119.950 -0.075 0.000 2.371 276 F HA 0.296 4.789 4.527 -0.057 0.000 0.363 276 F C -1.117 174.649 175.800 -0.056 0.000 1.122 276 F CA -2.330 55.627 58.000 -0.072 0.000 1.129 276 F CB 0.074 39.008 39.000 -0.109 0.000 1.173 276 F HN 0.425 8.802 8.300 0.128 0.000 0.489 277 P HA -0.089 4.349 4.420 0.030 0.000 0.270 277 P C 0.385 177.719 177.300 0.056 0.000 1.221 277 P CA -0.564 62.567 63.100 0.052 0.000 0.788 277 P CB 0.901 32.624 31.700 0.038 0.000 0.904 278 K N -1.218 119.199 120.400 0.028 0.000 2.555 278 K HA -0.238 4.087 4.320 0.008 0.000 0.193 278 K C -0.138 176.465 176.600 0.006 0.000 1.032 278 K CA 1.419 57.713 56.287 0.011 0.000 1.004 278 K CB -0.011 32.490 32.500 0.002 0.000 0.804 278 K HN 0.331 8.593 8.250 0.021 0.000 0.496 279 D N -4.028 116.383 120.400 0.019 0.000 2.360 279 D HA -0.043 4.602 4.640 0.008 0.000 0.210 279 D C -0.233 176.082 176.300 0.025 0.000 1.047 279 D CA -0.323 53.688 54.000 0.019 0.000 0.854 279 D CB 0.026 40.840 40.800 0.025 0.000 0.936 279 D HN -0.463 7.845 8.370 0.028 0.079 0.514 280 A N 2.467 125.308 122.820 0.034 0.000 2.366 280 A HA 0.102 4.459 4.320 0.061 0.000 0.249 280 A C -1.537 176.024 177.584 -0.037 0.000 1.084 280 A CA -1.125 50.933 52.037 0.036 0.000 0.794 280 A CB -0.555 18.505 19.000 0.100 0.000 1.034 280 A HN -0.743 7.389 8.150 0.043 0.044 0.491 281 P HA 0.055 4.431 4.420 -0.074 0.000 0.275 281 P C -0.026 177.067 177.300 -0.345 0.000 1.228 281 P CA -0.593 62.433 63.100 -0.123 0.000 0.786 281 P CB 0.688 32.408 31.700 0.034 0.000 0.927 282 S N 2.497 118.001 115.700 -0.326 0.000 2.559 282 S HA -0.022 4.224 4.470 -0.374 0.000 0.282 282 S C -1.113 173.071 174.600 -0.695 0.000 1.336 282 S CA -0.257 57.703 58.200 -0.400 0.000 1.037 282 S CB -0.234 62.805 63.200 -0.268 0.000 0.853 282 S HN 0.115 8.298 8.310 -0.211 0.000 0.523 283 P HA -0.108 3.900 4.420 -0.832 -0.088 0.267 283 P C -1.314 175.620 177.300 -0.611 0.000 1.200 283 P CA 0.074 62.772 63.100 -0.671 0.000 0.772 283 P CB 0.481 31.926 31.700 -0.425 0.000 0.855 284 F N 1.935 121.784 119.950 -0.169 0.000 2.379 284 F HA 0.118 4.443 4.527 -0.337 0.000 0.332 284 F C -0.123 175.435 175.800 -0.403 0.000 1.096 284 F CA -0.751 57.057 58.000 -0.320 0.000 1.105 284 F CB 1.602 40.381 39.000 -0.369 0.000 1.189 284 F HN 0.635 8.573 8.300 -0.440 0.098 0.515 285 I N 1.878 122.302 120.570 -0.243 0.000 2.382 285 I HA 0.108 4.219 4.170 -0.098 0.000 0.285 285 I C -1.598 174.388 176.117 -0.219 0.000 1.007 285 I CA -1.362 59.830 61.300 -0.181 0.000 1.142 285 I CB 0.439 38.380 38.000 -0.098 0.000 1.289 285 I HN 0.189 8.257 8.210 -0.237 0.000 0.453 286 F N 6.457 126.469 119.950 0.103 0.000 2.371 286 F HA 0.133 4.835 4.527 0.101 -0.114 0.329 286 F C 0.444 176.109 175.800 -0.224 0.000 1.107 286 F CA -0.755 57.174 58.000 -0.118 0.000 1.137 286 F CB 1.583 40.247 39.000 -0.560 0.000 1.214 286 F HN 0.200 8.498 8.300 -0.002 0.000 0.536 287 K N 1.620 121.990 120.400 -0.050 0.000 2.118 287 K HA 0.111 4.443 4.320 0.021 0.000 0.267 287 K C 0.014 176.551 176.600 -0.104 0.000 0.991 287 K CA -1.032 55.236 56.287 -0.033 0.000 0.916 287 K CB 0.940 33.460 32.500 0.034 0.000 1.041 287 K HN -0.048 8.499 8.250 0.004 -0.294 0.455 288 T N -2.239 112.352 114.554 0.061 0.000 2.788 288 T HA 0.101 4.677 4.350 0.376 0.000 0.280 288 T C 0.784 175.591 174.700 0.178 0.000 0.984 288 T CA -1.804 60.418 62.100 0.203 0.000 0.972 288 T CB 1.461 70.450 68.868 0.202 0.000 1.039 288 T HN -0.217 8.270 8.240 0.073 -0.203 0.530 289 L N 0.318 121.665 121.223 0.206 0.000 2.023 289 L HA -0.175 4.249 4.340 0.139 0.000 0.205 289 L C 1.951 178.889 176.870 0.113 0.000 1.073 289 L CA 3.678 58.608 54.840 0.149 0.000 0.745 289 L CB 0.076 42.215 42.059 0.134 0.000 0.900 289 L HN 0.466 8.833 8.230 0.229 0.000 0.435 290 E N 0.248 120.516 120.200 0.112 0.000 2.065 290 E HA -0.475 3.924 4.350 0.082 0.000 0.201 290 E C 2.926 179.575 176.600 0.082 0.000 1.016 290 E CA 3.058 59.513 56.400 0.092 0.000 0.818 290 E CB -0.285 29.472 29.700 0.095 0.000 0.749 290 E HN 0.336 8.771 8.360 0.126 0.000 0.453 291 E N -0.643 119.610 120.200 0.087 0.000 2.333 291 E HA -0.200 4.189 4.350 0.066 0.000 0.198 291 E C 1.469 178.108 176.600 0.066 0.000 1.007 291 E CA 0.869 57.313 56.400 0.072 0.000 0.845 291 E CB -0.101 29.642 29.700 0.071 0.000 0.766 291 E HN 0.373 nan 8.360 nan 0.000 0.507 292 Q N -2.207 117.636 119.800 0.071 0.000 2.201 292 Q HA 0.017 4.391 4.340 0.056 0.000 0.236 292 Q C 0.101 176.135 176.000 0.057 0.000 0.857 292 Q CA -0.550 55.290 55.803 0.062 0.000 1.025 292 Q CB 0.564 29.341 28.738 0.065 0.000 1.124 292 Q HN 0.016 8.139 8.270 0.083 0.197 0.473 293 G N -1.879 106.954 108.800 0.056 0.000 2.267 293 G HA2 -0.445 3.544 3.960 0.047 0.000 0.257 293 G HA3 -0.445 3.542 3.960 0.045 0.000 0.257 293 G C -0.399 174.532 174.900 0.052 0.000 0.998 293 G CA 0.713 45.843 45.100 0.050 0.000 0.620 293 G HN -0.196 8.051 8.290 0.059 0.079 0.529 294 L N 0.000 121.259 121.223 0.060 0.000 2.949 294 L HA 0.000 4.373 4.340 0.055 0.000 0.249 294 L CA 0.000 54.877 54.840 0.062 0.000 0.813 294 L CB 0.000 42.100 42.059 0.068 0.000 0.961 294 L HN 0.000 8.167 8.230 0.065 0.102 0.502