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 1kqp_1_B DATA FIRST_RESID 1 DATA SEQUENCE SMQEKIMREL HVKPSIDPKQ EIEDRVNFLK QYVKKTGAKG FVLGISGGQD DATA SEQUENCE STLAGRLAQL AVESIREEGG DAQFIAVRLP HGTQQDEDDA QLALKFIKPD DATA SEQUENCE KSWKFDIKST VSAFSDQYQQ ETGDQLTDFN KGNVKARTRM IAQYAIGGQE DATA SEQUENCE GLLVLGTDHA AEAVTGFFTK YGDGGADLLP LTGLTKRQGR TLLKELGAPE DATA SEQUENCE RLYLKEPTAD LLDEKPQQSD ETELGISYDE IDDYLEGKEV SAKVSEALEK DATA SEQUENCE RYSMTEHKRQ VPASMFDDWW K 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 S HA 0.000 4.462 4.470 -0.014 0.000 0.327 1 S C 0.000 174.583 174.600 -0.029 0.000 1.055 1 S CA 0.000 58.184 58.200 -0.026 0.000 1.107 1 S CB 0.000 63.179 63.200 -0.035 0.000 0.593 2 M N 2.411 122.007 119.600 -0.006 0.000 2.213 2 M HA -0.273 4.202 4.480 -0.008 0.000 0.263 2 M C 1.304 177.583 176.300 -0.035 0.000 1.062 2 M CA 2.480 57.780 55.300 -0.001 0.000 1.105 2 M CB -0.074 32.551 32.600 0.042 0.000 1.385 2 M HN 0.530 8.824 8.290 0.007 0.000 0.417 3 Q N -0.337 119.424 119.800 -0.065 0.000 2.050 3 Q HA -0.398 3.769 4.340 -0.288 0.000 0.202 3 Q C 2.149 177.995 176.000 -0.256 0.000 0.980 3 Q CA 3.417 59.054 55.803 -0.277 0.000 0.840 3 Q CB -0.546 27.915 28.738 -0.463 0.000 0.898 3 Q HN 0.296 8.526 8.270 -0.039 0.017 0.424 4 E N -1.250 118.848 120.200 -0.170 0.000 2.085 4 E HA -0.392 3.870 4.350 -0.146 0.000 0.194 4 E C 2.282 178.814 176.600 -0.113 0.000 0.994 4 E CA 2.935 59.257 56.400 -0.131 0.000 0.801 4 E CB -0.299 29.348 29.700 -0.088 0.000 0.743 4 E HN -0.656 7.618 8.360 -0.143 0.000 0.453 5 K N -0.149 120.193 120.400 -0.095 0.000 2.057 5 K HA -0.248 4.035 4.320 -0.062 0.000 0.206 5 K C 2.397 178.924 176.600 -0.122 0.000 1.050 5 K CA 3.142 59.382 56.287 -0.077 0.000 0.935 5 K CB -0.070 32.407 32.500 -0.039 0.000 0.715 5 K HN -0.721 7.477 8.250 -0.088 0.000 0.439 6 I N -0.641 119.809 120.570 -0.200 0.000 2.252 6 I HA -0.437 3.508 4.170 -0.375 0.000 0.245 6 I C 1.882 177.882 176.117 -0.195 0.000 1.102 6 I CA 4.045 65.148 61.300 -0.327 0.000 1.385 6 I CB 0.062 37.771 38.000 -0.485 0.000 1.064 6 I HN -0.037 8.063 8.210 -0.184 0.000 0.414 7 M N 0.209 119.708 119.600 -0.170 0.000 2.117 7 M HA -0.524 3.892 4.480 -0.107 0.000 0.262 7 M C 1.385 177.614 176.300 -0.117 0.000 1.065 7 M CA 4.377 59.599 55.300 -0.131 0.000 1.114 7 M CB -0.028 32.484 32.600 -0.147 0.000 1.361 7 M HN -0.159 8.018 8.290 -0.189 0.000 0.408 8 R N -1.227 119.200 120.500 -0.121 0.000 2.066 8 R HA -0.323 3.958 4.340 -0.098 0.000 0.232 8 R C 2.937 179.102 176.300 -0.225 0.000 1.131 8 R CA 3.492 59.519 56.100 -0.121 0.000 0.955 8 R CB -0.056 30.196 30.300 -0.081 0.000 0.851 8 R HN -0.341 7.848 8.270 -0.120 0.009 0.432 9 E N 0.250 120.335 120.200 -0.193 0.000 2.110 9 E HA -0.274 3.921 4.350 -0.260 0.000 0.193 9 E C 1.774 178.131 176.600 -0.404 0.000 0.988 9 E CA 2.692 58.955 56.400 -0.228 0.000 0.804 9 E CB -0.035 29.653 29.700 -0.021 0.000 0.745 9 E HN -0.277 7.999 8.360 -0.139 0.000 0.458 10 L N -4.694 116.380 121.223 -0.248 0.000 2.592 10 L HA 0.111 4.386 4.340 -0.108 0.000 0.227 10 L C -1.007 175.805 176.870 -0.096 0.000 1.127 10 L CA -0.382 54.376 54.840 -0.136 0.000 0.884 10 L CB -0.048 42.022 42.059 0.019 0.000 1.065 10 L HN -0.402 7.700 8.230 -0.178 0.021 0.457 11 H N -6.084 112.982 119.070 -0.006 0.000 2.839 11 H HA -0.368 4.173 4.556 -0.026 0.000 0.298 11 H C -1.013 174.300 175.328 -0.024 0.000 1.224 11 H CA 0.804 56.838 56.048 -0.024 0.000 1.144 11 H CB -3.121 26.616 29.762 -0.042 0.000 1.372 11 H HN -0.548 7.284 8.280 -0.442 0.183 0.408 12 V N 0.222 120.157 119.914 0.035 0.000 2.546 12 V HA -0.003 4.316 4.120 0.034 -0.178 0.284 12 V C -0.038 176.057 176.094 0.002 0.000 1.050 12 V CA -0.544 61.768 62.300 0.020 0.000 0.981 12 V CB 0.314 32.139 31.823 0.003 0.000 0.990 12 V HN -0.576 7.609 8.190 -0.008 0.000 0.474 13 K N 7.581 127.980 120.400 -0.000 0.000 2.130 13 K HA 0.324 4.635 4.320 -0.014 0.000 0.268 13 K C -1.142 175.446 176.600 -0.020 0.000 0.983 13 K CA -2.482 53.798 56.287 -0.012 0.000 0.893 13 K CB -0.219 32.274 32.500 -0.011 0.000 1.066 13 K HN 0.185 8.437 8.250 0.004 0.000 0.450 14 P HA -0.043 4.357 4.420 -0.033 0.000 0.221 14 P C -1.059 176.226 177.300 -0.025 0.000 1.150 14 P CA 1.268 64.350 63.100 -0.030 0.000 0.800 14 P CB 0.560 32.239 31.700 -0.035 0.000 0.787 15 S N -3.130 112.556 115.700 -0.023 0.000 2.540 15 S HA 0.218 4.674 4.470 -0.023 0.000 0.275 15 S C -1.252 173.335 174.600 -0.022 0.000 1.123 15 S CA -0.858 57.329 58.200 -0.022 0.000 0.907 15 S CB 2.583 65.771 63.200 -0.021 0.000 1.081 15 S HN -0.642 7.617 8.310 -0.022 0.038 0.476 16 I N -2.459 118.096 120.570 -0.025 0.000 3.002 16 I HA 0.355 4.510 4.170 -0.024 0.000 0.310 16 I C -1.668 174.432 176.117 -0.028 0.000 1.087 16 I CA -1.541 59.743 61.300 -0.027 0.000 1.017 16 I CB 2.987 40.968 38.000 -0.031 0.000 1.226 16 I HN -0.001 8.193 8.210 -0.026 0.000 0.443 17 D N 3.326 123.710 120.400 -0.027 0.000 2.427 17 D HA 0.487 5.111 4.640 -0.028 0.000 0.226 17 D C -0.672 175.610 176.300 -0.031 0.000 1.076 17 D CA -3.917 50.067 54.000 -0.027 0.000 0.849 17 D CB 0.836 41.623 40.800 -0.022 0.000 1.052 17 D HN 0.160 8.515 8.370 -0.026 0.000 0.515 18 P HA -0.253 4.140 4.420 -0.045 0.000 0.215 18 P C 1.200 178.479 177.300 -0.036 0.000 1.153 18 P CA 1.648 64.722 63.100 -0.043 0.000 0.853 18 P CB 0.637 32.303 31.700 -0.056 0.000 0.788 19 K N -4.910 115.472 120.400 -0.030 0.000 2.097 19 K HA -0.355 3.952 4.320 -0.023 0.000 0.206 19 K C 2.207 178.796 176.600 -0.019 0.000 1.049 19 K CA 3.615 59.888 56.287 -0.023 0.000 0.933 19 K CB -0.432 32.056 32.500 -0.019 0.000 0.717 19 K HN -0.458 7.870 8.250 -0.030 -0.096 0.442 20 Q N -0.752 119.037 119.800 -0.019 0.000 2.245 20 Q HA -0.219 4.113 4.340 -0.013 0.000 0.201 20 Q C 2.056 178.045 176.000 -0.018 0.000 0.955 20 Q CA 2.438 58.231 55.803 -0.016 0.000 0.870 20 Q CB -0.597 28.132 28.738 -0.015 0.000 0.945 20 Q HN -0.662 7.825 8.270 -0.021 -0.230 0.461 21 E N 0.330 120.515 120.200 -0.024 0.000 2.058 21 E HA -0.302 4.031 4.350 -0.028 0.000 0.194 21 E C 2.578 179.164 176.600 -0.024 0.000 0.997 21 E CA 3.073 59.456 56.400 -0.028 0.000 0.801 21 E CB -0.374 29.305 29.700 -0.035 0.000 0.746 21 E HN -0.273 8.071 8.360 -0.026 0.000 0.450 22 I N -0.599 119.956 120.570 -0.024 0.000 2.163 22 I HA -0.544 3.611 4.170 -0.025 0.000 0.243 22 I C 1.793 177.902 176.117 -0.015 0.000 1.085 22 I CA 4.354 65.641 61.300 -0.021 0.000 1.347 22 I CB -0.108 37.881 38.000 -0.019 0.000 1.044 22 I HN -0.397 7.798 8.210 -0.026 0.000 0.408 23 E N -0.211 119.983 120.200 -0.011 0.000 2.058 23 E HA -0.426 3.922 4.350 -0.005 0.000 0.194 23 E C 2.185 178.790 176.600 0.007 0.000 0.997 23 E CA 3.275 59.672 56.400 -0.004 0.000 0.801 23 E CB -0.567 29.131 29.700 -0.004 0.000 0.746 23 E HN -0.526 7.826 8.360 -0.013 0.000 0.450 24 D N -1.284 119.120 120.400 0.006 0.000 2.117 24 D HA -0.225 4.432 4.640 0.028 0.000 0.197 24 D C 2.824 179.156 176.300 0.052 0.000 0.987 24 D CA 3.293 57.305 54.000 0.020 0.000 0.829 24 D CB -0.447 40.351 40.800 -0.003 0.000 0.961 24 D HN -0.084 8.285 8.370 -0.002 0.000 0.460 25 R N -0.469 120.050 120.500 0.033 0.000 2.093 25 R HA -0.144 4.270 4.340 0.123 0.000 0.224 25 R C 2.599 178.939 176.300 0.066 0.000 1.101 25 R CA 2.988 59.129 56.100 0.067 0.000 0.979 25 R CB 0.168 30.473 30.300 0.009 0.000 0.877 25 R HN -0.455 7.801 8.270 0.010 0.019 0.441 26 V N 0.608 120.527 119.914 0.007 0.000 2.295 26 V HA -0.450 3.633 4.120 -0.061 0.000 0.246 26 V C 1.523 177.622 176.094 0.008 0.000 1.049 26 V CA 3.879 66.166 62.300 -0.022 0.000 1.024 26 V CB -0.584 31.223 31.823 -0.028 0.000 0.648 26 V HN 0.080 8.270 8.190 0.000 0.000 0.447 27 N N 0.094 118.819 118.700 0.041 0.000 2.223 27 N HA -0.338 4.422 4.740 0.033 0.000 0.185 27 N C 2.212 177.781 175.510 0.098 0.000 1.016 27 N CA 3.127 56.210 53.050 0.055 0.000 0.863 27 N CB -0.070 38.449 38.487 0.053 0.000 0.983 27 N HN -0.291 8.112 8.380 0.039 0.000 0.429 28 F N 2.451 122.398 119.950 -0.004 0.000 2.069 28 F HA -0.287 4.262 4.527 0.037 0.000 0.298 28 F C 1.013 176.848 175.800 0.059 0.000 1.113 28 F CA 2.851 60.860 58.000 0.016 0.000 1.214 28 F CB -0.072 38.910 39.000 -0.029 0.000 0.978 28 F HN -0.187 8.256 8.300 0.238 0.000 0.474 29 L N -2.047 118.985 121.223 -0.318 0.000 2.042 29 L HA -0.587 3.381 4.340 -0.621 0.000 0.210 29 L C 2.185 179.038 176.870 -0.028 0.000 1.076 29 L CA 3.304 57.931 54.840 -0.354 0.000 0.749 29 L CB -0.588 41.252 42.059 -0.364 0.000 0.893 29 L HN -0.466 7.709 8.230 -0.090 0.000 0.432 30 K N -1.411 118.989 120.400 0.000 0.000 2.009 30 K HA -0.434 3.928 4.320 0.069 0.000 0.210 30 K C 2.699 179.300 176.600 0.002 0.000 1.049 30 K CA 3.646 59.952 56.287 0.032 0.000 0.929 30 K CB -0.354 32.158 32.500 0.019 0.000 0.714 30 K HN -0.352 7.886 8.250 -0.020 0.000 0.440 31 Q N -1.442 118.353 119.800 -0.008 0.000 2.084 31 Q HA -0.324 4.011 4.340 -0.009 0.000 0.202 31 Q C 2.627 178.605 176.000 -0.037 0.000 0.978 31 Q CA 3.072 58.873 55.803 -0.003 0.000 0.844 31 Q CB 0.101 28.871 28.738 0.053 0.000 0.898 31 Q HN -0.239 8.028 8.270 -0.005 0.000 0.426 32 Y N 0.796 120.983 120.300 -0.190 0.000 2.163 32 Y HA -0.389 4.098 4.550 -0.104 0.000 0.288 32 Y C 1.837 177.672 175.900 -0.109 0.000 1.136 32 Y CA 3.465 61.453 58.100 -0.187 0.000 1.147 32 Y CB 0.416 38.607 38.460 -0.448 0.000 0.987 32 Y HN -0.209 8.024 8.280 -0.078 0.000 0.509 33 V N -1.163 118.796 119.914 0.076 0.000 2.427 33 V HA -0.421 3.715 4.120 0.028 0.000 0.248 33 V C 1.743 177.767 176.094 -0.116 0.000 1.051 33 V CA 2.762 65.050 62.300 -0.021 0.000 1.048 33 V CB -0.419 31.296 31.823 -0.181 0.000 0.666 33 V HN -0.451 7.804 8.190 0.108 0.000 0.456 34 K N -1.289 119.051 120.400 -0.099 0.000 2.097 34 K HA -0.290 3.971 4.320 -0.099 0.000 0.205 34 K C 2.821 179.348 176.600 -0.122 0.000 1.050 34 K CA 3.416 59.644 56.287 -0.098 0.000 0.938 34 K CB -0.380 32.079 32.500 -0.067 0.000 0.718 34 K HN -0.598 7.591 8.250 -0.072 0.017 0.442 35 K N -1.146 119.153 120.400 -0.168 0.000 2.103 35 K HA -0.213 4.019 4.320 -0.147 0.000 0.207 35 K C 1.354 177.832 176.600 -0.203 0.000 1.048 35 K CA 2.651 58.816 56.287 -0.203 0.000 0.930 35 K CB -0.180 32.147 32.500 -0.288 0.000 0.716 35 K HN -0.458 7.687 8.250 -0.175 0.000 0.444 36 T N -5.315 109.106 114.554 -0.221 0.000 3.054 36 T HA -0.052 4.206 4.350 -0.153 0.000 0.259 36 T C 1.601 176.239 174.700 -0.103 0.000 1.092 36 T CA 0.435 62.440 62.100 -0.158 0.000 1.121 36 T CB 1.015 69.817 68.868 -0.110 0.000 0.912 36 T HN -0.626 7.332 8.240 -0.235 0.141 0.489 37 G N 3.642 112.379 108.800 -0.106 0.000 2.179 37 G HA2 -0.482 3.424 3.960 -0.090 0.000 0.257 37 G HA3 -0.482 3.433 3.960 -0.075 0.000 0.257 37 G C -1.158 173.686 174.900 -0.094 0.000 1.010 37 G CA 0.424 45.471 45.100 -0.089 0.000 0.736 37 G HN -0.377 7.685 8.290 -0.119 0.156 0.513 38 A N -1.359 121.392 122.820 -0.116 0.000 2.304 38 A HA 0.085 4.344 4.320 -0.102 0.000 0.271 38 A C -0.194 177.285 177.584 -0.176 0.000 1.091 38 A CA -0.556 51.402 52.037 -0.131 0.000 0.812 38 A CB 1.036 19.951 19.000 -0.142 0.000 1.056 38 A HN -0.876 7.199 8.150 -0.126 0.000 0.489 39 K N -1.310 118.987 120.400 -0.172 0.000 2.487 39 K HA 0.075 4.306 4.320 -0.148 0.000 0.192 39 K C -0.238 176.211 176.600 -0.251 0.000 1.027 39 K CA 0.776 56.961 56.287 -0.170 0.000 1.054 39 K CB 0.864 33.293 32.500 -0.119 0.000 0.824 39 K HN 0.051 8.209 8.250 -0.153 0.000 0.510 40 G N -4.134 104.416 108.800 -0.417 0.000 2.334 40 G HA2 -0.013 3.391 3.960 -0.927 0.000 0.249 40 G HA3 -0.013 3.940 3.960 -0.375 -0.218 0.249 40 G C -2.627 171.820 174.900 -0.754 0.000 1.327 40 G CA -0.239 44.475 45.100 -0.643 0.000 0.979 40 G HN -0.731 7.244 8.290 -0.417 0.064 0.471 41 F N -3.039 116.924 119.950 0.023 0.000 2.588 41 F HA 1.009 5.727 4.527 -0.022 -0.205 0.314 41 F C -1.659 174.199 175.800 0.097 0.000 1.069 41 F CA -1.508 56.520 58.000 0.047 0.000 0.931 41 F CB 4.905 43.931 39.000 0.044 0.000 1.260 41 F HN -0.103 8.171 8.300 -0.044 0.000 0.465 42 V N 0.452 120.492 119.914 0.209 0.000 2.735 42 V HA 1.128 5.480 4.120 0.016 -0.223 0.310 42 V C -2.475 173.702 176.094 0.139 0.000 1.061 42 V CA -3.062 59.270 62.300 0.054 0.000 0.913 42 V CB 4.380 36.110 31.823 -0.155 0.000 1.005 42 V HN 0.594 8.891 8.190 0.179 0.000 0.428 43 L N 6.192 127.503 121.223 0.147 0.000 2.526 43 L HA 0.521 4.906 4.340 0.075 0.000 0.263 43 L C -2.153 174.766 176.870 0.080 0.000 0.943 43 L CA -0.768 54.158 54.840 0.145 0.000 0.859 43 L CB 4.413 46.642 42.059 0.283 0.000 1.313 43 L HN 0.027 8.285 8.230 0.047 0.000 0.406 44 G N 3.486 112.321 108.800 0.059 0.000 2.343 44 G HA2 0.064 4.291 3.960 0.060 0.000 0.254 44 G HA3 0.064 4.062 3.960 0.063 0.000 0.254 44 G C -0.448 174.503 174.900 0.086 0.000 1.277 44 G CA -0.074 45.065 45.100 0.065 0.000 0.909 44 G HN 0.117 8.435 8.290 0.046 0.000 0.502 45 I N 5.780 126.403 120.570 0.088 0.000 2.330 45 I HA 0.235 4.469 4.170 0.107 0.000 0.286 45 I C -0.761 175.409 176.117 0.088 0.000 1.025 45 I CA -2.603 58.756 61.300 0.098 0.000 1.197 45 I CB -1.479 36.582 38.000 0.102 0.000 1.358 45 I HN 0.117 8.375 8.210 0.079 0.000 0.467 46 S N 6.973 122.723 115.700 0.084 0.000 2.503 46 S HA 0.053 4.570 4.470 0.078 0.000 0.217 46 S C 0.891 175.533 174.600 0.070 0.000 0.999 46 S CA 1.035 59.281 58.200 0.077 0.000 0.914 46 S CB 0.985 64.229 63.200 0.074 0.000 0.782 46 S HN 0.121 8.482 8.310 0.085 0.000 0.520 47 G N 1.747 110.590 108.800 0.071 0.000 2.234 47 G HA2 -0.265 3.733 3.960 0.064 0.000 0.235 47 G HA3 -0.265 3.727 3.960 0.053 0.000 0.235 47 G C -0.340 174.588 174.900 0.047 0.000 0.997 47 G CA 0.090 45.225 45.100 0.059 0.000 0.623 47 G HN -0.216 8.122 8.290 0.079 0.000 0.514 48 G N -1.901 106.930 108.800 0.051 0.000 2.599 48 G HA2 0.035 4.012 3.960 0.028 0.000 0.264 48 G HA3 0.035 4.024 3.960 0.048 0.000 0.264 48 G C -0.178 174.739 174.900 0.029 0.000 1.200 48 G CA -1.484 43.639 45.100 0.039 0.000 0.896 48 G HN -0.545 7.703 8.290 0.060 0.078 0.536 49 Q N 0.973 120.775 119.800 0.003 0.000 2.096 49 Q HA -0.423 3.911 4.340 -0.010 0.000 0.204 49 Q C 1.628 177.622 176.000 -0.011 0.000 0.982 49 Q CA 3.958 59.751 55.803 -0.017 0.000 0.850 49 Q CB 0.016 28.717 28.738 -0.061 0.000 0.901 49 Q HN 0.683 8.952 8.270 -0.002 0.000 0.422 50 D N -2.273 118.128 120.400 0.001 0.000 2.103 50 D HA -0.213 4.408 4.640 -0.033 0.000 0.199 50 D C 2.386 178.708 176.300 0.037 0.000 0.978 50 D CA 3.647 57.657 54.000 0.015 0.000 0.829 50 D CB -0.936 39.928 40.800 0.106 0.000 0.981 50 D HN 0.296 8.675 8.370 0.015 0.000 0.464 51 S N -0.606 115.128 115.700 0.057 0.000 2.406 51 S HA -0.182 4.322 4.470 0.057 0.000 0.228 51 S C 2.127 176.780 174.600 0.088 0.000 1.020 51 S CA 3.666 61.907 58.200 0.069 0.000 0.965 51 S CB -0.620 62.629 63.200 0.081 0.000 0.798 51 S HN 0.220 8.566 8.310 0.061 0.000 0.488 52 T N 5.837 120.446 114.554 0.092 0.000 2.708 52 T HA -0.295 4.163 4.350 0.181 0.000 0.266 52 T C 1.737 176.527 174.700 0.150 0.000 1.037 52 T CA 4.228 66.414 62.100 0.144 0.000 1.146 52 T CB -0.220 68.718 68.868 0.116 0.000 0.865 52 T HN -0.451 7.833 8.240 0.073 0.000 0.435 53 L N 1.335 122.605 121.223 0.079 0.000 1.994 53 L HA -0.296 4.102 4.340 0.096 0.000 0.208 53 L C 1.068 177.940 176.870 0.002 0.000 1.071 53 L CA 3.169 58.039 54.840 0.050 0.000 0.745 53 L CB -0.763 41.292 42.059 -0.006 0.000 0.892 53 L HN -0.292 7.969 8.230 0.052 0.000 0.431 54 A N -2.613 120.193 122.820 -0.023 0.000 1.933 54 A HA -0.295 3.954 4.320 -0.119 0.000 0.218 54 A C 2.264 179.744 177.584 -0.173 0.000 1.175 54 A CA 3.328 55.307 52.037 -0.097 0.000 0.628 54 A CB -0.950 18.003 19.000 -0.078 0.000 0.814 54 A HN 0.220 8.368 8.150 -0.003 0.000 0.444 55 G N -1.976 106.783 108.800 -0.067 0.000 2.418 55 G HA2 -0.360 3.423 3.960 -0.295 0.000 0.217 55 G HA3 -0.360 3.693 3.960 0.155 0.000 0.217 55 G C 0.976 175.770 174.900 -0.176 0.000 1.158 55 G CA 1.754 46.804 45.100 -0.084 0.000 0.771 55 G HN 0.002 8.289 8.290 0.013 0.010 0.545 56 R N 2.417 122.892 120.500 -0.042 0.000 2.092 56 R HA -0.210 4.066 4.340 -0.107 0.000 0.231 56 R C 2.167 178.379 176.300 -0.148 0.000 1.119 56 R CA 1.858 57.910 56.100 -0.081 0.000 0.970 56 R CB -0.464 29.848 30.300 0.021 0.000 0.864 56 R HN -0.433 7.857 8.270 0.034 0.000 0.440 57 L N -2.095 119.035 121.223 -0.156 0.000 2.042 57 L HA -0.461 3.801 4.340 -0.130 0.000 0.210 57 L C 1.612 178.307 176.870 -0.292 0.000 1.076 57 L CA 3.402 58.133 54.840 -0.181 0.000 0.749 57 L CB -0.537 41.427 42.059 -0.157 0.000 0.893 57 L HN -0.152 8.004 8.230 -0.124 0.000 0.432 58 A N -1.909 120.611 122.820 -0.501 0.000 1.902 58 A HA -0.442 3.484 4.320 -0.657 0.000 0.217 58 A C 1.760 179.075 177.584 -0.448 0.000 1.181 58 A CA 3.184 54.796 52.037 -0.708 0.000 0.623 58 A CB -0.954 17.250 19.000 -1.325 0.000 0.818 58 A HN -0.070 7.774 8.150 -0.510 0.000 0.443 59 Q N -0.568 118.993 119.800 -0.399 0.000 2.084 59 Q HA -0.263 4.091 4.340 0.024 0.000 0.202 59 Q C 2.434 178.400 176.000 -0.058 0.000 0.978 59 Q CA 2.617 58.369 55.803 -0.085 0.000 0.844 59 Q CB -0.357 28.392 28.738 0.018 0.000 0.898 59 Q HN -0.444 7.535 8.270 -0.486 0.000 0.426 60 L N -1.619 119.547 121.223 -0.095 0.000 2.046 60 L HA -0.285 4.027 4.340 -0.047 0.000 0.208 60 L C 2.173 179.020 176.870 -0.039 0.000 1.077 60 L CA 2.878 57.681 54.840 -0.062 0.000 0.747 60 L CB -0.430 41.588 42.059 -0.068 0.000 0.896 60 L HN -0.136 8.015 8.230 -0.132 0.000 0.432 61 A N -0.976 121.813 122.820 -0.051 0.000 1.877 61 A HA -0.287 4.032 4.320 -0.002 0.000 0.216 61 A C 2.007 179.623 177.584 0.054 0.000 1.186 61 A CA 3.417 55.456 52.037 0.005 0.000 0.620 61 A CB -0.784 18.219 19.000 0.006 0.000 0.822 61 A HN -0.087 8.004 8.150 -0.098 0.000 0.443 62 V N -4.196 115.767 119.914 0.082 0.000 2.427 62 V HA -0.426 3.733 4.120 0.064 0.000 0.248 62 V C 1.772 177.887 176.094 0.034 0.000 1.051 62 V CA 3.623 65.968 62.300 0.074 0.000 1.048 62 V CB -1.414 30.476 31.823 0.112 0.000 0.666 62 V HN -0.285 7.949 8.190 0.073 0.000 0.456 63 E N 0.929 121.144 120.200 0.025 0.000 2.110 63 E HA -0.435 3.923 4.350 0.013 0.000 0.193 63 E C 2.269 178.872 176.600 0.004 0.000 0.988 63 E CA 3.509 59.916 56.400 0.011 0.000 0.804 63 E CB -0.522 29.179 29.700 0.002 0.000 0.745 63 E HN -0.243 8.131 8.360 0.024 0.000 0.458 64 S N -0.512 115.190 115.700 0.003 0.000 2.368 64 S HA -0.245 4.224 4.470 -0.002 0.000 0.224 64 S C 1.758 176.358 174.600 0.000 0.000 1.029 64 S CA 3.163 61.363 58.200 0.000 0.000 0.988 64 S CB -0.358 62.842 63.200 -0.000 0.000 0.838 64 S HN -0.512 7.801 8.310 0.004 0.000 0.462 65 I N 1.970 122.542 120.570 0.003 0.000 2.208 65 I HA -0.525 3.815 4.170 -0.007 -0.174 0.245 65 I C 1.853 177.965 176.117 -0.009 0.000 1.097 65 I CA 4.192 65.489 61.300 -0.005 0.000 1.363 65 I CB -0.268 37.725 38.000 -0.011 0.000 1.051 65 I HN -0.375 7.841 8.210 0.010 0.000 0.413 66 R N -1.598 118.899 120.500 -0.005 0.000 2.092 66 R HA -0.225 4.317 4.340 -0.010 -0.208 0.231 66 R C 3.322 179.619 176.300 -0.005 0.000 1.119 66 R CA 2.908 59.004 56.100 -0.006 0.000 0.970 66 R CB -0.242 30.056 30.300 -0.002 0.000 0.864 66 R HN -0.338 7.932 8.270 -0.001 0.000 0.440 67 E N 0.760 120.958 120.200 -0.004 0.000 2.153 67 E HA -0.230 4.118 4.350 -0.004 0.000 0.194 67 E C 1.182 177.779 176.600 -0.005 0.000 0.988 67 E CA 2.504 58.902 56.400 -0.004 0.000 0.811 67 E CB -0.086 29.612 29.700 -0.003 0.000 0.746 67 E HN -0.350 8.008 8.360 -0.003 0.000 0.466 68 E N -3.242 116.954 120.200 -0.006 0.000 2.465 68 E HA -0.041 4.305 4.350 -0.006 0.000 0.191 68 E C 0.464 177.058 176.600 -0.009 0.000 1.053 68 E CA -0.179 56.217 56.400 -0.007 0.000 0.869 68 E CB 0.010 29.706 29.700 -0.007 0.000 0.977 68 E HN -0.559 7.769 8.360 -0.006 0.028 0.483 69 G N -0.588 108.206 108.800 -0.010 0.000 2.141 69 G HA2 -0.311 3.643 3.960 -0.010 0.000 0.231 69 G HA3 -0.311 3.643 3.960 -0.011 0.000 0.231 69 G C -0.099 174.792 174.900 -0.015 0.000 0.984 69 G CA -0.405 44.689 45.100 -0.011 0.000 0.660 69 G HN -0.333 7.754 8.290 -0.009 0.198 0.525 70 G N -0.250 108.539 108.800 -0.018 0.000 2.537 70 G HA2 0.014 3.958 3.960 -0.025 0.000 0.297 70 G HA3 0.014 3.957 3.960 -0.028 0.000 0.297 70 G C -2.512 172.372 174.900 -0.027 0.000 1.310 70 G CA -0.901 44.184 45.100 -0.025 0.000 1.027 70 G HN -0.260 7.972 8.290 -0.016 0.049 0.505 71 D N -1.832 118.546 120.400 -0.037 0.000 2.391 71 D HA 0.231 4.852 4.640 -0.032 0.000 0.245 71 D C -1.560 174.704 176.300 -0.060 0.000 1.069 71 D CA -0.763 53.213 54.000 -0.041 0.000 0.831 71 D CB 1.859 42.634 40.800 -0.041 0.000 1.204 71 D HN 0.091 8.435 8.370 -0.042 0.000 0.503 72 A N 2.996 125.783 122.820 -0.055 0.000 2.605 72 A HA 0.441 4.891 4.320 -0.121 -0.203 0.294 72 A C -2.745 174.813 177.584 -0.043 0.000 1.062 72 A CA -0.460 51.528 52.037 -0.082 0.000 0.682 72 A CB 2.568 21.520 19.000 -0.080 0.000 1.278 72 A HN 0.029 8.156 8.150 -0.038 0.000 0.410 73 Q N -1.344 118.425 119.800 -0.051 0.000 2.462 73 Q HA 0.995 5.565 4.340 0.043 -0.204 0.285 73 Q C -2.484 173.576 176.000 0.100 0.000 1.035 73 Q CA -1.925 53.884 55.803 0.011 0.000 0.799 73 Q CB 4.328 33.046 28.738 -0.033 0.000 1.452 73 Q HN 0.171 8.376 8.270 -0.108 0.000 0.404 74 F N 3.099 123.029 119.950 -0.034 0.000 2.477 74 F HA 0.724 5.441 4.527 0.016 -0.181 0.335 74 F C -2.486 173.266 175.800 -0.081 0.000 1.130 74 F CA -2.865 55.131 58.000 -0.006 0.000 0.948 74 F CB 3.537 42.569 39.000 0.053 0.000 1.154 74 F HN 0.068 8.738 8.300 0.176 -0.264 0.439 75 I N 7.210 127.439 120.570 -0.568 0.000 2.328 75 I HA 0.275 4.176 4.170 -0.714 -0.159 0.287 75 I C -1.814 173.690 176.117 -1.022 0.000 1.012 75 I CA -1.300 59.529 61.300 -0.785 0.000 1.195 75 I CB 1.562 39.077 38.000 -0.808 0.000 1.350 75 I HN 0.432 8.486 8.210 -0.261 0.000 0.464 76 A N 8.624 130.842 122.820 -1.004 0.000 2.328 76 A HA 0.560 4.700 4.320 -0.553 -0.151 0.284 76 A C -2.070 175.387 177.584 -0.212 0.000 1.160 76 A CA -1.295 50.390 52.037 -0.585 0.000 0.818 76 A CB 1.866 20.634 19.000 -0.387 0.000 1.087 76 A HN 0.539 8.147 8.150 -0.903 0.000 0.504 77 V N 3.693 123.562 119.914 -0.075 0.000 2.531 77 V HA 0.583 4.969 4.120 0.104 -0.204 0.301 77 V C -1.616 174.531 176.094 0.088 0.000 1.034 77 V CA -2.855 59.478 62.300 0.055 0.000 0.865 77 V CB 4.215 36.084 31.823 0.077 0.000 0.995 77 V HN 0.173 8.325 8.190 -0.064 0.000 0.424 78 R N 8.603 129.173 120.500 0.116 0.000 2.340 78 R HA 0.172 4.572 4.340 0.100 0.000 0.300 78 R C -1.049 175.338 176.300 0.145 0.000 1.069 78 R CA -1.372 54.796 56.100 0.113 0.000 0.984 78 R CB 0.661 31.018 30.300 0.095 0.000 1.003 78 R HN 0.259 8.607 8.270 0.130 0.000 0.459 79 L N 3.229 124.535 121.223 0.139 0.000 2.783 79 L HA 0.776 5.487 4.340 0.225 -0.236 0.265 79 L C -1.770 175.194 176.870 0.156 0.000 1.398 79 L CA -3.131 51.815 54.840 0.177 0.000 0.802 79 L CB 1.138 43.297 42.059 0.165 0.000 1.126 79 L HN 0.467 8.768 8.230 0.120 0.000 0.529 80 P HA 0.112 4.605 4.420 0.121 0.000 0.272 80 P C -1.319 176.066 177.300 0.142 0.000 1.223 80 P CA -0.929 62.240 63.100 0.115 0.000 0.784 80 P CB 0.851 32.593 31.700 0.071 0.000 0.923 81 H N 3.492 122.597 119.070 0.058 0.000 2.746 81 H HA 0.055 4.644 4.556 0.054 0.000 0.269 81 H C 0.615 175.964 175.328 0.035 0.000 1.248 81 H CA -0.132 55.947 56.048 0.051 0.000 1.258 81 H CB -0.156 29.639 29.762 0.054 0.000 1.441 81 H HN 0.153 8.568 8.280 0.225 0.000 0.508 82 G N 8.528 117.214 108.800 -0.190 0.000 2.550 82 G HA2 -0.388 3.594 3.960 -0.136 0.000 0.277 82 G HA3 -0.388 3.487 3.960 -0.140 0.000 0.277 82 G C -0.891 173.995 174.900 -0.022 0.000 1.190 82 G CA -0.005 45.020 45.100 -0.125 0.000 0.971 82 G HN 0.017 8.487 8.290 -0.209 -0.306 0.559 83 T N 5.987 120.543 114.554 0.003 0.000 2.737 83 T HA -0.048 4.312 4.350 0.016 0.000 0.296 83 T C -0.523 174.207 174.700 0.050 0.000 0.922 83 T CA 0.740 62.853 62.100 0.023 0.000 1.079 83 T CB -0.271 68.608 68.868 0.018 0.000 0.892 83 T HN -0.066 8.173 8.240 -0.001 0.000 0.514 84 Q N 7.517 127.348 119.800 0.052 0.000 2.279 84 Q HA 0.132 4.518 4.340 0.076 0.000 0.256 84 Q C 1.081 177.111 176.000 0.050 0.000 0.937 84 Q CA -0.350 55.491 55.803 0.063 0.000 0.933 84 Q CB 1.014 29.791 28.738 0.067 0.000 1.189 84 Q HN 0.349 8.646 8.270 0.044 0.000 0.417 85 Q N 5.822 125.653 119.800 0.051 0.000 2.124 85 Q HA -0.256 4.107 4.340 0.037 0.000 0.202 85 Q C 0.041 176.062 176.000 0.036 0.000 0.977 85 Q CA 2.665 58.493 55.803 0.041 0.000 0.850 85 Q CB 0.084 28.847 28.738 0.041 0.000 0.901 85 Q HN 0.679 8.984 8.270 0.058 0.000 0.429 86 D N -5.120 115.303 120.400 0.039 0.000 2.722 86 D HA 0.115 4.891 4.640 0.029 -0.118 0.239 86 D C 0.018 176.341 176.300 0.037 0.000 1.249 86 D CA -2.241 51.779 54.000 0.034 0.000 0.830 86 D CB -1.223 39.597 40.800 0.034 0.000 1.025 86 D HN -0.211 8.169 8.370 0.045 0.017 0.486 87 E N 1.439 121.662 120.200 0.038 0.000 2.130 87 E HA -0.498 3.879 4.350 0.045 0.000 0.196 87 E C 0.617 177.238 176.600 0.036 0.000 0.998 87 E CA 3.814 60.237 56.400 0.039 0.000 0.806 87 E CB -0.048 29.673 29.700 0.035 0.000 0.738 87 E HN -0.749 7.551 8.360 0.037 0.082 0.459 88 D N -4.373 116.044 120.400 0.029 0.000 2.149 88 D HA -0.324 4.333 4.640 0.027 0.000 0.198 88 D C 2.010 178.327 176.300 0.028 0.000 0.990 88 D CA 2.920 56.935 54.000 0.026 0.000 0.839 88 D CB -1.166 39.646 40.800 0.019 0.000 0.948 88 D HN 0.322 8.690 8.370 0.027 0.019 0.460 89 D N 0.637 121.053 120.400 0.026 0.000 2.144 89 D HA -0.211 4.441 4.640 0.019 0.000 0.200 89 D C 2.020 178.345 176.300 0.041 0.000 0.978 89 D CA 2.718 56.733 54.000 0.025 0.000 0.833 89 D CB -0.516 40.295 40.800 0.017 0.000 0.961 89 D HN -0.532 7.853 8.370 0.025 0.000 0.470 90 A N 0.555 123.404 122.820 0.048 0.000 1.902 90 A HA -0.417 3.944 4.320 0.067 0.000 0.217 90 A C 1.851 179.475 177.584 0.066 0.000 1.181 90 A CA 3.140 55.214 52.037 0.061 0.000 0.623 90 A CB -0.645 18.392 19.000 0.062 0.000 0.818 90 A HN -0.560 7.543 8.150 0.045 0.074 0.443 91 Q N -2.055 117.779 119.800 0.056 0.000 2.119 91 Q HA -0.274 4.102 4.340 0.059 0.000 0.201 91 Q C 2.558 178.598 176.000 0.067 0.000 0.972 91 Q CA 2.376 58.213 55.803 0.056 0.000 0.847 91 Q CB -0.408 28.357 28.738 0.044 0.000 0.903 91 Q HN -0.166 8.134 8.270 0.049 0.000 0.433 92 L N 0.130 121.391 121.223 0.063 0.000 2.046 92 L HA -0.344 4.042 4.340 0.077 0.000 0.208 92 L C 1.315 178.257 176.870 0.120 0.000 1.077 92 L CA 2.842 57.727 54.840 0.074 0.000 0.747 92 L CB -0.719 41.367 42.059 0.044 0.000 0.896 92 L HN -0.222 8.039 8.230 0.052 0.000 0.432 93 A N -0.831 122.058 122.820 0.115 0.000 1.908 93 A HA -0.400 4.049 4.320 0.214 0.000 0.218 93 A C 2.012 179.715 177.584 0.198 0.000 1.181 93 A CA 3.214 55.354 52.037 0.172 0.000 0.627 93 A CB -0.748 18.332 19.000 0.134 0.000 0.818 93 A HN -0.069 8.134 8.150 0.088 0.000 0.445 94 L N -2.266 119.037 121.223 0.133 0.000 2.046 94 L HA -0.491 3.915 4.340 0.111 0.000 0.208 94 L C 2.088 179.019 176.870 0.102 0.000 1.077 94 L CA 2.954 57.858 54.840 0.107 0.000 0.747 94 L CB -0.445 41.658 42.059 0.074 0.000 0.896 94 L HN -0.270 8.027 8.230 0.112 0.000 0.432 95 K N -0.418 120.048 120.400 0.111 0.000 2.103 95 K HA -0.408 3.955 4.320 0.071 0.000 0.207 95 K C 2.152 178.826 176.600 0.124 0.000 1.048 95 K CA 3.308 59.655 56.287 0.101 0.000 0.930 95 K CB -0.232 32.326 32.500 0.096 0.000 0.716 95 K HN -0.462 7.855 8.250 0.111 0.000 0.444 96 F N -0.247 119.730 119.950 0.045 0.000 2.128 96 F HA -0.252 4.300 4.527 0.042 0.000 0.295 96 F C 1.889 177.722 175.800 0.054 0.000 1.100 96 F CA 2.749 60.777 58.000 0.046 0.000 1.260 96 F CB 0.328 39.356 39.000 0.047 0.000 1.009 96 F HN -0.600 7.868 8.300 0.306 0.015 0.476 97 I N -2.012 118.489 120.570 -0.115 0.000 2.226 97 I HA -0.516 3.429 4.170 -0.375 0.000 0.245 97 I C 0.247 176.283 176.117 -0.135 0.000 1.100 97 I CA 3.067 64.269 61.300 -0.165 0.000 1.374 97 I CB 0.472 38.538 38.000 0.110 0.000 1.057 97 I HN -0.199 8.090 8.210 0.132 0.000 0.413 98 K N -6.318 114.050 120.400 -0.054 0.000 3.393 98 K HA -0.279 4.039 4.320 -0.003 0.000 0.272 98 K C -2.502 174.115 176.600 0.029 0.000 1.004 98 K CA -0.296 55.978 56.287 -0.022 0.000 0.764 98 K CB -2.271 30.194 32.500 -0.058 0.000 1.373 98 K HN -0.510 7.725 8.250 -0.024 0.000 0.458 99 P HA 0.040 4.599 4.420 0.231 0.000 0.274 99 P C -0.922 176.391 177.300 0.022 0.000 1.237 99 P CA -0.677 62.473 63.100 0.084 0.000 0.793 99 P CB 0.442 32.082 31.700 -0.100 0.000 0.977 100 D N -0.440 119.982 120.400 0.036 0.000 2.104 100 D HA -0.229 4.428 4.640 0.029 0.000 0.194 100 D C 0.307 176.600 176.300 -0.012 0.000 0.994 100 D CA 2.628 56.638 54.000 0.017 0.000 0.830 100 D CB 0.516 41.334 40.800 0.029 0.000 0.959 100 D HN 0.050 8.478 8.370 0.096 0.000 0.452 101 K N -2.996 117.354 120.400 -0.082 0.000 2.426 101 K HA 0.415 4.767 4.320 0.054 0.000 0.251 101 K C -2.271 174.291 176.600 -0.064 0.000 0.941 101 K CA -0.856 55.414 56.287 -0.028 0.000 0.808 101 K CB 3.914 36.383 32.500 -0.051 0.000 1.265 101 K HN -0.459 7.680 8.250 -0.162 0.014 0.432 102 S N 2.417 118.192 115.700 0.124 0.000 2.707 102 S HA 0.673 5.335 4.470 0.028 -0.174 0.312 102 S C -1.134 173.674 174.600 0.348 0.000 1.116 102 S CA -1.288 56.988 58.200 0.127 0.000 1.078 102 S CB 1.108 64.350 63.200 0.070 0.000 0.997 102 S HN 0.231 8.664 8.310 0.206 0.000 0.477 103 W N 7.522 128.789 121.300 -0.055 0.000 2.762 103 W HA 0.371 5.027 4.660 -0.008 0.000 0.355 103 W C -1.497 175.032 176.519 0.015 0.000 1.124 103 W CA -2.187 55.149 57.345 -0.014 0.000 1.141 103 W CB 2.867 32.320 29.460 -0.013 0.000 1.432 103 W HN 0.709 9.057 8.180 0.279 0.000 0.586 104 K N -0.210 120.335 120.400 0.242 0.000 2.525 104 K HA 0.598 5.230 4.320 0.199 -0.193 0.254 104 K C -1.740 174.996 176.600 0.227 0.000 0.934 104 K CA -1.043 55.352 56.287 0.180 0.000 0.802 104 K CB 3.169 35.718 32.500 0.081 0.000 1.295 104 K HN -0.070 8.299 8.250 0.198 0.000 0.433 105 F N 5.917 125.916 119.950 0.082 0.000 2.612 105 F HA 0.198 4.753 4.527 0.048 0.000 0.332 105 F C -2.464 173.369 175.800 0.055 0.000 1.167 105 F CA -0.262 57.779 58.000 0.068 0.000 0.970 105 F CB 3.385 42.444 39.000 0.098 0.000 1.234 105 F HN 0.697 9.177 8.300 0.300 0.000 0.453 106 D N 8.034 128.274 120.400 -0.268 0.000 2.325 106 D HA 0.211 5.028 4.640 -0.013 -0.185 0.251 106 D C 1.011 177.203 176.300 -0.180 0.000 1.196 106 D CA -1.181 52.725 54.000 -0.155 0.000 0.866 106 D CB 0.332 41.020 40.800 -0.186 0.000 1.101 106 D HN 0.185 8.296 8.370 -0.431 0.000 0.476 107 I N 0.093 120.725 120.570 0.103 0.000 3.564 107 I HA 0.107 4.495 4.170 0.364 0.000 0.294 107 I C 0.704 176.899 176.117 0.131 0.000 1.289 107 I CA 0.896 62.344 61.300 0.246 0.000 1.325 107 I CB -0.408 37.792 38.000 0.333 0.000 1.039 107 I HN 0.015 8.309 8.210 0.140 0.000 0.474 108 K N 1.680 122.033 120.400 -0.079 0.000 2.057 108 K HA -0.364 3.792 4.320 -0.273 0.000 0.207 108 K C 1.708 178.275 176.600 -0.055 0.000 1.049 108 K CA 4.204 60.339 56.287 -0.253 0.000 0.931 108 K CB -0.131 32.050 32.500 -0.531 0.000 0.714 108 K HN -0.032 8.386 8.250 -0.126 -0.243 0.440 109 S N -2.621 113.050 115.700 -0.049 0.000 2.402 109 S HA -0.233 4.237 4.470 -0.001 0.000 0.229 109 S C 2.120 176.766 174.600 0.077 0.000 1.021 109 S CA 3.082 61.281 58.200 -0.001 0.000 0.974 109 S CB -0.779 62.402 63.200 -0.032 0.000 0.800 109 S HN 0.348 8.604 8.310 -0.090 0.000 0.484 110 T N 5.516 120.143 114.554 0.122 0.000 2.737 110 T HA -0.237 4.218 4.350 0.175 0.000 0.265 110 T C 1.828 176.658 174.700 0.217 0.000 1.038 110 T CA 3.875 66.087 62.100 0.186 0.000 1.144 110 T CB -0.312 68.703 68.868 0.245 0.000 0.866 110 T HN -0.796 7.491 8.240 0.108 0.017 0.434 111 V N 1.859 121.906 119.914 0.222 0.000 2.343 111 V HA -0.449 3.816 4.120 0.241 0.000 0.247 111 V C 1.925 178.179 176.094 0.267 0.000 1.051 111 V CA 3.550 66.003 62.300 0.254 0.000 1.036 111 V CB -1.100 30.903 31.823 0.299 0.000 0.654 111 V HN -0.258 8.062 8.190 0.215 0.000 0.451 112 S N -0.052 115.773 115.700 0.209 0.000 2.368 112 S HA -0.359 4.214 4.470 0.171 0.000 0.225 112 S C 2.273 176.960 174.600 0.145 0.000 1.030 112 S CA 3.414 61.710 58.200 0.159 0.000 0.999 112 S CB -0.141 63.118 63.200 0.099 0.000 0.844 112 S HN 0.035 8.456 8.310 0.185 0.000 0.459 113 A N 1.966 124.873 122.820 0.146 0.000 1.902 113 A HA -0.276 4.095 4.320 0.085 0.000 0.217 113 A C 1.446 179.112 177.584 0.136 0.000 1.181 113 A CA 2.931 55.041 52.037 0.121 0.000 0.623 113 A CB -0.720 18.350 19.000 0.118 0.000 0.818 113 A HN -0.340 7.899 8.150 0.147 0.000 0.443 114 F N -0.845 119.161 119.950 0.094 0.000 2.075 114 F HA -0.445 4.147 4.527 0.108 0.000 0.297 114 F C 1.333 177.211 175.800 0.129 0.000 1.113 114 F CA 3.226 61.291 58.000 0.107 0.000 1.218 114 F CB 0.484 39.544 39.000 0.100 0.000 0.984 114 F HN -0.274 8.234 8.300 0.347 0.000 0.472 115 S N -0.887 114.965 115.700 0.253 0.000 2.368 115 S HA -0.459 4.134 4.470 0.205 0.000 0.225 115 S C 2.380 177.031 174.600 0.086 0.000 1.030 115 S CA 3.390 61.697 58.200 0.180 0.000 0.999 115 S CB -0.156 63.155 63.200 0.186 0.000 0.844 115 S HN -0.036 8.476 8.310 0.336 0.000 0.459 116 D N 2.230 122.667 120.400 0.062 0.000 2.144 116 D HA -0.211 4.454 4.640 0.042 0.000 0.200 116 D C 2.271 178.563 176.300 -0.013 0.000 0.978 116 D CA 3.015 57.035 54.000 0.033 0.000 0.833 116 D CB -0.486 40.334 40.800 0.033 0.000 0.961 116 D HN -0.186 8.234 8.370 0.083 0.000 0.470 117 Q N 0.401 120.162 119.800 -0.064 0.000 2.119 117 Q HA -0.268 4.019 4.340 -0.088 0.000 0.201 117 Q C 2.038 177.938 176.000 -0.168 0.000 0.972 117 Q CA 2.783 58.513 55.803 -0.122 0.000 0.847 117 Q CB -0.210 28.433 28.738 -0.160 0.000 0.903 117 Q HN -0.387 7.847 8.270 -0.060 0.000 0.433 118 Y N 0.471 120.576 120.300 -0.324 0.000 2.128 118 Y HA -0.545 3.830 4.550 -0.292 0.000 0.284 118 Y C 1.714 177.540 175.900 -0.124 0.000 1.154 118 Y CA 3.967 61.904 58.100 -0.272 0.000 1.149 118 Y CB 0.108 38.398 38.460 -0.283 0.000 0.976 118 Y HN -0.092 8.089 8.280 -0.164 0.000 0.505 119 Q N -0.924 118.915 119.800 0.064 0.000 2.119 119 Q HA -0.423 4.157 4.340 0.055 -0.207 0.201 119 Q C 2.352 178.320 176.000 -0.053 0.000 0.972 119 Q CA 2.827 58.648 55.803 0.030 0.000 0.847 119 Q CB -0.035 28.740 28.738 0.062 0.000 0.903 119 Q HN -0.511 7.824 8.270 0.109 0.000 0.433 120 Q N -0.861 118.899 119.800 -0.065 0.000 2.084 120 Q HA -0.278 4.031 4.340 -0.052 0.000 0.202 120 Q C 2.182 178.117 176.000 -0.107 0.000 0.978 120 Q CA 2.890 58.651 55.803 -0.071 0.000 0.844 120 Q CB -0.110 28.592 28.738 -0.060 0.000 0.898 120 Q HN -0.468 7.769 8.270 -0.055 0.000 0.426 121 E N -1.801 118.298 120.200 -0.168 0.000 2.112 121 E HA -0.141 4.126 4.350 -0.140 0.000 0.190 121 E C 1.899 178.373 176.600 -0.210 0.000 0.979 121 E CA 1.967 58.253 56.400 -0.190 0.000 0.814 121 E CB 0.435 29.990 29.700 -0.243 0.000 0.762 121 E HN -0.181 8.065 8.360 -0.191 0.000 0.460 122 T N -6.909 107.471 114.554 -0.290 0.000 2.990 122 T HA 0.094 4.317 4.350 -0.212 0.000 0.250 122 T C 1.539 176.160 174.700 -0.132 0.000 1.041 122 T CA 0.001 61.945 62.100 -0.260 0.000 1.010 122 T CB 2.034 70.633 68.868 -0.448 0.000 1.003 122 T HN -0.384 7.658 8.240 -0.331 0.000 0.499 123 G N 3.376 112.117 108.800 -0.099 0.000 2.162 123 G HA2 -0.438 3.564 3.960 -0.036 0.000 0.260 123 G HA3 -0.438 3.499 3.960 -0.038 0.000 0.260 123 G C -1.297 173.600 174.900 -0.005 0.000 0.976 123 G CA 0.433 45.508 45.100 -0.042 0.000 0.655 123 G HN -0.232 7.987 8.290 -0.119 0.000 0.533 124 D N 0.930 121.344 120.400 0.023 0.000 2.391 124 D HA 0.209 4.892 4.640 0.072 0.000 0.245 124 D C -1.109 175.298 176.300 0.179 0.000 1.069 124 D CA -1.145 52.916 54.000 0.101 0.000 0.831 124 D CB 1.650 42.548 40.800 0.164 0.000 1.204 124 D HN -0.639 7.669 8.370 -0.010 0.056 0.503 125 Q N 3.664 123.535 119.800 0.119 0.000 2.311 125 Q HA -0.208 4.204 4.340 0.119 0.000 0.272 125 Q C -0.933 175.127 176.000 0.101 0.000 1.012 125 Q CA 0.531 56.398 55.803 0.107 0.000 0.891 125 Q CB 0.741 29.509 28.738 0.050 0.000 1.201 125 Q HN 0.246 8.566 8.270 0.083 0.000 0.391 126 L N 6.277 127.540 121.223 0.066 0.000 2.418 126 L HA -0.003 4.216 4.340 -0.202 0.000 0.274 126 L C -0.402 176.443 176.870 -0.043 0.000 1.135 126 L CA 0.216 55.000 54.840 -0.093 0.000 0.870 126 L CB 0.673 42.660 42.059 -0.121 0.000 1.154 126 L HN 0.227 8.522 8.230 0.108 0.000 0.462 127 T N 1.917 116.434 114.554 -0.060 0.000 2.868 127 T HA -0.018 4.296 4.350 -0.059 0.000 0.292 127 T C 0.648 175.324 174.700 -0.039 0.000 1.028 127 T CA -1.227 60.835 62.100 -0.063 0.000 1.059 127 T CB 1.681 70.487 68.868 -0.102 0.000 0.991 127 T HN -0.307 7.882 8.240 -0.085 0.000 0.531 128 D N 1.791 122.160 120.400 -0.052 0.000 2.123 128 D HA -0.267 4.386 4.640 0.021 0.000 0.196 128 D C 2.185 178.575 176.300 0.151 0.000 0.992 128 D CA 2.996 57.009 54.000 0.023 0.000 0.833 128 D CB -0.048 40.759 40.800 0.013 0.000 0.954 128 D HN 0.460 8.771 8.370 -0.098 0.000 0.455 129 F N -2.138 117.787 119.950 -0.042 0.000 2.102 129 F HA -0.408 4.088 4.527 -0.052 0.000 0.298 129 F C 2.296 178.055 175.800 -0.069 0.000 1.105 129 F CA 2.229 60.199 58.000 -0.051 0.000 1.239 129 F CB -0.051 38.924 39.000 -0.042 0.000 0.991 129 F HN -0.419 7.904 8.300 0.038 0.000 0.474 130 N N -1.598 117.177 118.700 0.124 0.000 2.216 130 N HA -0.251 4.498 4.740 0.016 0.000 0.183 130 N C 1.906 177.401 175.510 -0.024 0.000 1.017 130 N CA 2.975 56.034 53.050 0.015 0.000 0.861 130 N CB -0.349 38.114 38.487 -0.039 0.000 0.986 130 N HN -0.670 7.777 8.380 0.112 0.000 0.428 131 K N 1.629 122.022 120.400 -0.012 0.000 2.147 131 K HA -0.303 4.001 4.320 -0.027 0.000 0.205 131 K C 1.977 178.546 176.600 -0.052 0.000 1.049 131 K CA 3.295 59.568 56.287 -0.024 0.000 0.936 131 K CB -0.114 32.384 32.500 -0.003 0.000 0.722 131 K HN 0.215 8.466 8.250 0.002 0.000 0.446 132 G N -2.263 106.519 108.800 -0.030 0.000 2.422 132 G HA2 -0.321 3.698 3.960 -0.084 0.000 0.218 132 G HA3 -0.321 3.614 3.960 -0.042 0.000 0.218 132 G C 1.272 176.125 174.900 -0.077 0.000 1.146 132 G CA 2.241 47.306 45.100 -0.059 0.000 0.769 132 G HN 0.052 8.249 8.290 0.012 0.100 0.547 133 N N 1.797 120.453 118.700 -0.074 0.000 2.270 133 N HA -0.156 4.530 4.740 -0.090 0.000 0.181 133 N C 2.263 177.712 175.510 -0.102 0.000 1.016 133 N CA 2.258 55.255 53.050 -0.087 0.000 0.870 133 N CB -0.258 38.180 38.487 -0.081 0.000 0.979 133 N HN -0.693 7.654 8.380 -0.055 0.000 0.431 134 V N 1.097 120.930 119.914 -0.136 0.000 2.332 134 V HA -0.507 3.453 4.120 -0.266 0.000 0.248 134 V C 1.637 177.658 176.094 -0.122 0.000 1.055 134 V CA 4.372 66.544 62.300 -0.213 0.000 1.038 134 V CB -0.811 30.828 31.823 -0.307 0.000 0.651 134 V HN -0.172 7.871 8.190 -0.120 0.074 0.450 135 K N -0.877 119.476 120.400 -0.079 0.000 2.032 135 K HA -0.438 3.891 4.320 0.016 0.000 0.209 135 K C 2.443 179.039 176.600 -0.006 0.000 1.048 135 K CA 3.914 60.184 56.287 -0.029 0.000 0.927 135 K CB -0.507 31.946 32.500 -0.078 0.000 0.712 135 K HN -0.154 8.041 8.250 -0.091 0.000 0.441 136 A N -1.547 121.256 122.820 -0.028 0.000 1.933 136 A HA -0.231 4.096 4.320 0.011 0.000 0.218 136 A C 2.346 179.936 177.584 0.009 0.000 1.175 136 A CA 2.953 54.987 52.037 -0.006 0.000 0.628 136 A CB -0.752 18.232 19.000 -0.026 0.000 0.814 136 A HN -0.376 7.745 8.150 -0.049 0.000 0.444 137 R N -3.013 117.478 120.500 -0.015 0.000 2.115 137 R HA -0.201 4.155 4.340 0.027 0.000 0.226 137 R C 2.585 178.884 176.300 -0.003 0.000 1.100 137 R CA 3.089 59.186 56.100 -0.005 0.000 0.980 137 R CB -0.065 30.213 30.300 -0.037 0.000 0.875 137 R HN -0.260 7.986 8.270 -0.041 0.000 0.445 138 T N 1.820 116.370 114.554 -0.007 0.000 2.821 138 T HA -0.274 4.082 4.350 0.011 0.000 0.267 138 T C 1.679 176.402 174.700 0.038 0.000 1.046 138 T CA 4.239 66.354 62.100 0.026 0.000 1.139 138 T CB -0.603 68.307 68.868 0.070 0.000 0.871 138 T HN 0.034 8.261 8.240 -0.022 0.000 0.454 139 R N 0.418 120.952 120.500 0.056 0.000 2.091 139 R HA -0.404 3.971 4.340 0.058 0.000 0.238 139 R C 2.198 178.526 176.300 0.046 0.000 1.136 139 R CA 3.876 60.010 56.100 0.057 0.000 0.959 139 R CB -0.490 29.852 30.300 0.071 0.000 0.856 139 R HN -0.187 8.117 8.270 0.056 0.000 0.437 140 M N 0.860 120.504 119.600 0.073 0.000 2.080 140 M HA -0.284 4.303 4.480 0.178 0.000 0.260 140 M C 1.765 178.165 176.300 0.168 0.000 1.068 140 M CA 2.505 57.894 55.300 0.149 0.000 1.109 140 M CB -0.388 32.297 32.600 0.142 0.000 1.342 140 M HN -0.762 7.490 8.290 0.063 0.076 0.405 141 I N -1.394 119.215 120.570 0.066 0.000 2.208 141 I HA -0.597 3.616 4.170 0.072 0.000 0.245 141 I C 1.504 177.600 176.117 -0.036 0.000 1.097 141 I CA 3.689 65.008 61.300 0.031 0.000 1.363 141 I CB -0.702 37.292 38.000 -0.009 0.000 1.051 141 I HN -0.320 7.915 8.210 0.041 0.000 0.413 142 A N -1.279 121.445 122.820 -0.160 0.000 1.877 142 A HA -0.420 3.577 4.320 -0.539 0.000 0.216 142 A C 2.162 179.639 177.584 -0.178 0.000 1.186 142 A CA 3.363 55.174 52.037 -0.375 0.000 0.620 142 A CB -1.008 17.667 19.000 -0.541 0.000 0.822 142 A HN -0.126 7.951 8.150 -0.122 0.000 0.443 143 Q N -1.210 118.542 119.800 -0.080 0.000 2.079 143 Q HA -0.347 3.923 4.340 -0.116 0.000 0.200 143 Q C 2.722 178.621 176.000 -0.169 0.000 0.974 143 Q CA 3.191 58.928 55.803 -0.111 0.000 0.840 143 Q CB 0.137 28.811 28.738 -0.106 0.000 0.898 143 Q HN -0.449 7.795 8.270 -0.043 0.000 0.430 144 Y N -0.948 119.322 120.300 -0.051 0.000 2.352 144 Y HA -0.376 4.159 4.550 -0.025 0.000 0.292 144 Y C 2.324 178.200 175.900 -0.039 0.000 1.136 144 Y CA 3.804 61.883 58.100 -0.035 0.000 1.227 144 Y CB -0.303 38.142 38.460 -0.025 0.000 0.991 144 Y HN -0.027 8.357 8.280 0.173 0.000 0.545 145 A N 0.241 123.091 122.820 0.051 0.000 1.873 145 A HA -0.307 4.043 4.320 0.051 0.000 0.215 145 A C 1.780 179.376 177.584 0.019 0.000 1.186 145 A CA 3.108 55.159 52.037 0.024 0.000 0.616 145 A CB -0.990 17.993 19.000 -0.029 0.000 0.823 145 A HN 0.024 8.088 8.150 0.030 0.104 0.442 146 I N -1.661 118.901 120.570 -0.013 0.000 2.163 146 I HA -0.565 3.654 4.170 0.082 0.000 0.243 146 I C 1.937 177.995 176.117 -0.098 0.000 1.085 146 I CA 4.005 65.291 61.300 -0.023 0.000 1.347 146 I CB -0.236 37.706 38.000 -0.098 0.000 1.044 146 I HN -0.327 7.857 8.210 -0.044 0.000 0.408 147 G N -2.279 106.443 108.800 -0.131 0.000 2.418 147 G HA2 -0.323 3.541 3.960 -0.161 0.000 0.217 147 G HA3 -0.323 3.529 3.960 -0.181 0.000 0.217 147 G C 1.427 176.290 174.900 -0.061 0.000 1.158 147 G CA 2.227 47.244 45.100 -0.139 0.000 0.771 147 G HN 0.101 8.306 8.290 -0.141 0.000 0.545 148 G N 0.409 109.206 108.800 -0.006 0.000 2.394 148 G HA2 -0.209 3.768 3.960 0.028 0.000 0.215 148 G HA3 -0.209 3.782 3.960 0.051 0.000 0.215 148 G C 1.186 176.099 174.900 0.021 0.000 1.165 148 G CA 1.071 46.188 45.100 0.028 0.000 0.784 148 G HN -0.285 8.006 8.290 0.002 0.000 0.535 149 Q N -0.998 118.821 119.800 0.031 0.000 2.119 149 Q HA -0.153 4.219 4.340 0.053 0.000 0.201 149 Q C 1.920 177.942 176.000 0.037 0.000 0.972 149 Q CA 2.207 58.042 55.803 0.054 0.000 0.847 149 Q CB 0.228 29.030 28.738 0.107 0.000 0.903 149 Q HN -0.345 7.944 8.270 0.032 0.000 0.433 150 E N -4.599 115.596 120.200 -0.007 0.000 2.498 150 E HA 0.204 4.555 4.350 0.002 0.000 0.203 150 E C 0.459 177.022 176.600 -0.062 0.000 1.013 150 E CA -0.935 55.443 56.400 -0.037 0.000 0.927 150 E CB 0.709 30.336 29.700 -0.121 0.000 1.012 150 E HN -0.458 7.856 8.360 -0.028 0.029 0.482 151 G N -0.700 108.067 108.800 -0.055 0.000 2.212 151 G HA2 -0.364 3.571 3.960 -0.043 0.000 0.255 151 G HA3 -0.364 3.563 3.960 -0.056 0.000 0.255 151 G C -1.719 173.124 174.900 -0.095 0.000 1.062 151 G CA 0.583 45.647 45.100 -0.060 0.000 0.815 151 G HN -0.215 8.050 8.290 -0.042 0.000 0.497 152 L N -2.871 118.286 121.223 -0.110 0.000 2.319 152 L HA 0.423 4.760 4.340 -0.173 -0.101 0.267 152 L C -0.556 176.250 176.870 -0.106 0.000 1.011 152 L CA -1.920 52.836 54.840 -0.140 0.000 0.818 152 L CB 2.410 44.377 42.059 -0.153 0.000 1.316 152 L HN -0.477 7.693 8.230 -0.101 0.000 0.432 153 L N -0.902 120.272 121.223 -0.081 0.000 2.375 153 L HA 0.216 4.663 4.340 -0.025 -0.122 0.271 153 L C -0.245 176.625 176.870 0.001 0.000 1.107 153 L CA -0.933 53.908 54.840 0.002 0.000 0.806 153 L CB 1.310 43.444 42.059 0.124 0.000 1.146 153 L HN 0.174 8.322 8.230 -0.137 0.000 0.447 154 V N 2.417 122.245 119.914 -0.142 0.000 2.385 154 V HA 0.141 4.313 4.120 -0.168 -0.153 0.269 154 V C -0.094 175.955 176.094 -0.075 0.000 1.043 154 V CA -0.869 61.298 62.300 -0.221 0.000 0.906 154 V CB -0.641 30.786 31.823 -0.660 0.000 0.995 154 V HN 0.215 8.659 8.190 -0.167 -0.354 0.467 155 L N 7.401 128.606 121.223 -0.031 0.000 2.417 155 L HA 0.206 4.627 4.340 -0.091 -0.135 0.268 155 L C 0.160 176.997 176.870 -0.054 0.000 1.158 155 L CA -0.063 54.734 54.840 -0.072 0.000 0.819 155 L CB 0.675 42.657 42.059 -0.128 0.000 1.112 155 L HN -0.009 8.223 8.230 0.003 0.000 0.458 156 G N 0.077 108.839 108.800 -0.063 0.000 2.473 156 G HA2 0.453 4.387 3.960 -0.044 0.000 0.321 156 G HA3 0.453 4.369 3.960 -0.073 0.000 0.321 156 G C -0.496 174.366 174.900 -0.064 0.000 1.200 156 G CA -0.662 44.402 45.100 -0.061 0.000 0.963 156 G HN 0.158 8.404 8.290 -0.075 0.000 0.483 157 T N -3.161 111.362 114.554 -0.053 0.000 3.134 157 T HA 0.027 4.374 4.350 -0.005 0.000 0.260 157 T C -0.643 174.053 174.700 -0.007 0.000 1.027 157 T CA -1.148 60.948 62.100 -0.007 0.000 0.913 157 T CB 0.333 69.222 68.868 0.036 0.000 1.046 157 T HN 0.415 8.619 8.240 -0.061 0.000 0.553 158 D N 0.874 121.191 120.400 -0.139 0.000 2.472 158 D HA -0.230 4.217 4.640 -0.322 0.000 0.237 158 D C -0.996 175.244 176.300 -0.101 0.000 1.141 158 D CA 1.624 55.477 54.000 -0.245 0.000 0.875 158 D CB 1.079 41.641 40.800 -0.395 0.000 1.192 158 D HN -0.327 7.887 8.370 -0.165 0.057 0.450 159 H N -2.390 116.659 119.070 -0.035 0.000 2.943 159 H HA 0.278 4.933 4.556 -0.022 -0.113 0.323 159 H C -0.616 174.738 175.328 0.042 0.000 1.296 159 H CA -1.577 54.467 56.048 -0.008 0.000 1.155 159 H CB 2.665 32.417 29.762 -0.016 0.000 1.882 159 H HN -0.400 7.541 8.280 -0.564 0.000 0.553 160 A N -1.474 121.480 122.820 0.224 0.000 1.933 160 A HA -0.255 4.140 4.320 0.126 0.000 0.218 160 A C 1.150 178.861 177.584 0.212 0.000 1.175 160 A CA 3.691 55.831 52.037 0.170 0.000 0.628 160 A CB -0.352 18.733 19.000 0.142 0.000 0.814 160 A HN 0.197 8.502 8.150 0.258 0.000 0.444 161 A N -4.393 118.646 122.820 0.365 0.000 2.014 161 A HA -0.123 4.374 4.320 0.294 0.000 0.218 161 A C 1.447 179.220 177.584 0.316 0.000 1.163 161 A CA 2.389 54.652 52.037 0.377 0.000 0.652 161 A CB -0.527 18.759 19.000 0.476 0.000 0.808 161 A HN -0.311 8.180 8.150 0.568 0.000 0.449 162 E N -1.682 118.544 120.200 0.044 0.000 2.122 162 E HA -0.092 4.416 4.350 0.262 0.000 0.190 162 E C 1.922 178.638 176.600 0.193 0.000 0.977 162 E CA 2.179 58.637 56.400 0.098 0.000 0.820 162 E CB 0.479 30.117 29.700 -0.103 0.000 0.770 162 E HN -0.711 7.487 8.360 -0.269 0.000 0.462 163 A N 1.281 124.173 122.820 0.120 0.000 1.902 163 A HA -0.214 4.318 4.320 0.354 0.000 0.217 163 A C 1.514 179.220 177.584 0.204 0.000 1.181 163 A CA 3.260 55.420 52.037 0.205 0.000 0.623 163 A CB -0.434 18.635 19.000 0.115 0.000 0.818 163 A HN 0.165 8.327 8.150 0.019 0.000 0.443 164 V N -2.951 117.088 119.914 0.209 0.000 2.515 164 V HA -0.271 4.115 4.120 0.443 0.000 0.250 164 V C 0.153 176.364 176.094 0.195 0.000 1.058 164 V CA 3.553 66.020 62.300 0.278 0.000 1.064 164 V CB -0.215 31.731 31.823 0.205 0.000 0.675 164 V HN -0.346 7.957 8.190 0.189 0.000 0.461 165 T N -6.571 108.051 114.554 0.112 0.000 3.060 165 T HA -0.023 4.344 4.350 0.028 0.000 0.249 165 T C 0.635 175.339 174.700 0.006 0.000 1.079 165 T CA 0.317 62.446 62.100 0.049 0.000 1.013 165 T CB -0.061 68.818 68.868 0.017 0.000 0.975 165 T HN -0.836 7.457 8.240 0.135 0.028 0.518 166 G N 1.999 110.775 108.800 -0.040 0.000 2.305 166 G HA2 -0.439 3.233 3.960 -0.479 0.000 0.287 166 G HA3 -0.439 3.259 3.960 -0.437 0.000 0.287 166 G C -1.515 173.165 174.900 -0.367 0.000 1.036 166 G CA 0.751 45.637 45.100 -0.357 0.000 0.887 166 G HN -0.480 7.654 8.290 0.039 0.179 0.505 167 F N 1.715 121.568 119.950 -0.161 0.000 2.640 167 F HA -0.115 4.322 4.527 -0.150 0.000 0.354 167 F C -1.975 173.874 175.800 0.081 0.000 1.213 167 F CA -0.295 57.663 58.000 -0.070 0.000 1.314 167 F CB -0.911 38.102 39.000 0.022 0.000 1.679 167 F HN -0.694 7.735 8.300 0.238 0.014 0.622 168 F N -1.341 118.459 119.950 -0.250 0.000 2.719 168 F HA 0.313 4.676 4.527 -0.273 0.000 0.309 168 F C -2.435 173.218 175.800 -0.247 0.000 1.138 168 F CA -2.159 55.699 58.000 -0.237 0.000 0.943 168 F CB 1.252 40.165 39.000 -0.145 0.000 1.304 168 F HN -0.386 7.502 8.300 -0.564 0.073 0.445 169 T N 3.566 118.120 114.554 0.001 0.000 2.780 169 T HA 0.174 4.412 4.350 -0.188 0.000 0.294 169 T C 0.031 174.746 174.700 0.026 0.000 0.949 169 T CA 0.195 62.249 62.100 -0.078 0.000 1.074 169 T CB 0.825 69.655 68.868 -0.064 0.000 0.910 169 T HN 0.284 8.884 8.240 0.064 -0.321 0.501 170 K N 7.508 127.820 120.400 -0.147 0.000 2.436 170 K HA -0.178 4.018 4.320 -0.206 0.000 0.282 170 K C 0.371 176.802 176.600 -0.281 0.000 1.044 170 K CA 1.371 57.478 56.287 -0.300 0.000 1.028 170 K CB -0.117 32.130 32.500 -0.422 0.000 0.919 170 K HN 0.598 8.723 8.250 -0.208 0.000 0.474 171 Y N -0.942 119.411 120.300 0.088 0.000 4.604 171 Y HA -0.482 4.084 4.550 0.027 0.000 0.230 171 Y C -0.631 175.282 175.900 0.021 0.000 1.066 171 Y CA -0.008 58.111 58.100 0.032 0.000 1.990 171 Y CB -2.320 36.140 38.460 0.001 0.000 1.619 171 Y HN 0.648 8.787 8.280 -0.235 0.000 0.649 172 G N -1.310 107.562 108.800 0.121 0.000 3.198 172 G HA2 0.010 4.018 3.960 0.080 0.000 0.203 172 G HA3 0.010 4.001 3.960 0.052 0.000 0.203 172 G C -0.548 174.405 174.900 0.088 0.000 1.950 172 G CA 0.067 45.216 45.100 0.082 0.000 0.798 172 G HN -0.326 7.832 8.290 0.096 0.189 0.720 173 D N 2.189 122.629 120.400 0.066 0.000 2.263 173 D HA -0.227 4.440 4.640 0.044 0.000 0.208 173 D C 1.436 177.724 176.300 -0.020 0.000 0.971 173 D CA 1.896 55.919 54.000 0.039 0.000 0.867 173 D CB -0.929 39.888 40.800 0.029 0.000 0.929 173 D HN 0.080 8.485 8.370 0.058 0.000 0.492 174 G N -1.399 107.411 108.800 0.017 0.000 2.471 174 G HA2 -0.178 3.487 3.960 -0.492 0.000 0.219 174 G HA3 -0.178 3.776 3.960 -0.011 0.000 0.219 174 G C 0.197 175.082 174.900 -0.025 0.000 1.125 174 G CA 0.377 45.387 45.100 -0.150 0.000 0.775 174 G HN -0.511 7.834 8.290 0.133 0.024 0.548 175 G N 1.229 110.090 108.800 0.102 0.000 2.444 175 G HA2 0.043 4.110 3.960 0.179 0.000 0.303 175 G HA3 0.043 4.118 3.960 0.192 0.000 0.303 175 G C -2.266 172.776 174.900 0.236 0.000 1.032 175 G CA -0.158 45.048 45.100 0.176 0.000 1.137 175 G HN -0.548 7.649 8.290 0.112 0.159 0.430 176 A N 3.683 126.623 122.820 0.200 0.000 2.588 176 A HA 0.202 4.682 4.320 0.266 0.000 0.290 176 A C -1.923 175.769 177.584 0.180 0.000 1.136 176 A CA -0.863 51.286 52.037 0.187 0.000 0.681 176 A CB 2.377 21.398 19.000 0.036 0.000 1.282 176 A HN -0.518 7.721 8.150 0.148 0.000 0.421 177 D N -1.710 118.756 120.400 0.111 0.000 2.262 177 D HA 0.079 4.796 4.640 0.129 0.000 0.212 177 D C 0.030 176.296 176.300 -0.056 0.000 0.964 177 D CA 1.672 55.719 54.000 0.079 0.000 0.875 177 D CB 1.680 42.533 40.800 0.090 0.000 0.996 177 D HN 0.068 8.472 8.370 0.057 0.000 0.497 178 L N -7.631 113.536 121.223 -0.094 0.000 2.582 178 L HA 0.499 4.763 4.340 -0.126 0.000 0.257 178 L C -2.584 174.256 176.870 -0.051 0.000 0.974 178 L CA -0.463 54.291 54.840 -0.144 0.000 0.851 178 L CB 3.056 44.882 42.059 -0.388 0.000 1.424 178 L HN -0.700 7.494 8.230 -0.060 0.000 0.412 179 L N 0.000 121.250 121.223 0.044 0.000 2.417 179 L HA 0.710 5.182 4.340 -0.042 -0.157 0.259 179 L C -0.916 175.974 176.870 0.033 0.000 1.023 179 L CA -2.696 52.137 54.840 -0.012 0.000 0.901 179 L CB 0.956 42.968 42.059 -0.079 0.000 1.227 179 L HN 0.284 8.598 8.230 0.139 0.000 0.454 180 P HA -0.014 4.521 4.420 0.191 0.000 0.229 180 P C 0.254 177.536 177.300 -0.031 0.000 1.160 180 P CA 1.589 64.723 63.100 0.057 0.000 0.777 180 P CB 0.480 32.161 31.700 -0.030 0.000 0.814 181 L N -3.910 117.293 121.223 -0.034 0.000 2.640 181 L HA 0.251 4.576 4.340 -0.026 0.000 0.230 181 L C -0.584 176.288 176.870 0.003 0.000 1.123 181 L CA -1.164 53.670 54.840 -0.010 0.000 0.900 181 L CB -0.591 41.490 42.059 0.037 0.000 1.146 181 L HN -0.174 7.983 8.230 -0.032 0.055 0.484 182 T N 2.413 116.938 114.554 -0.047 0.000 2.933 182 T HA -0.243 4.112 4.350 0.008 0.000 0.306 182 T C 1.297 175.998 174.700 0.000 0.000 1.045 182 T CA 3.411 65.493 62.100 -0.030 0.000 1.143 182 T CB 0.221 69.027 68.868 -0.104 0.000 1.003 182 T HN -0.916 7.214 8.240 -0.085 0.059 0.540 183 G N 4.383 113.223 108.800 0.066 0.000 2.241 183 G HA2 -0.428 3.813 3.960 0.106 0.000 0.244 183 G HA3 -0.428 3.663 3.960 0.070 -0.090 0.244 183 G C -0.879 174.055 174.900 0.056 0.000 0.998 183 G CA 0.378 45.525 45.100 0.079 0.000 0.621 183 G HN 0.502 8.842 8.290 0.083 0.000 0.519 184 L N 1.837 123.089 121.223 0.047 0.000 2.380 184 L HA 0.275 4.772 4.340 0.001 -0.155 0.273 184 L C 0.749 177.647 176.870 0.046 0.000 1.138 184 L CA -0.373 54.476 54.840 0.016 0.000 0.832 184 L CB 0.246 42.284 42.059 -0.035 0.000 1.124 184 L HN -0.549 7.628 8.230 0.050 0.082 0.454 185 T N 0.294 114.860 114.554 0.020 0.000 2.754 185 T HA 0.074 4.491 4.350 0.111 0.000 0.286 185 T C 0.382 175.041 174.700 -0.068 0.000 0.997 185 T CA -0.508 61.616 62.100 0.039 0.000 0.982 185 T CB 1.528 70.422 68.868 0.045 0.000 1.027 185 T HN 0.042 8.565 8.240 0.005 -0.280 0.529 186 K N 1.935 122.296 120.400 -0.064 0.000 2.026 186 K HA -0.301 3.770 4.320 -0.415 0.000 0.208 186 K C 2.259 178.757 176.600 -0.170 0.000 1.048 186 K CA 3.383 59.529 56.287 -0.235 0.000 0.929 186 K CB 0.050 32.374 32.500 -0.294 0.000 0.713 186 K HN 0.270 8.910 8.250 0.036 -0.369 0.439 187 R N -3.167 117.288 120.500 -0.076 0.000 2.148 187 R HA -0.294 4.008 4.340 -0.062 0.000 0.227 187 R C 2.278 178.534 176.300 -0.073 0.000 1.103 187 R CA 3.126 59.191 56.100 -0.057 0.000 0.983 187 R CB -0.699 29.590 30.300 -0.018 0.000 0.874 187 R HN -0.188 8.372 8.270 -0.038 -0.313 0.451 188 Q N 0.417 120.174 119.800 -0.072 0.000 2.046 188 Q HA -0.254 4.046 4.340 -0.067 0.000 0.200 188 Q C 2.645 178.584 176.000 -0.101 0.000 0.975 188 Q CA 2.866 58.625 55.803 -0.074 0.000 0.836 188 Q CB -0.227 28.479 28.738 -0.054 0.000 0.896 188 Q HN -0.619 7.614 8.270 -0.062 0.000 0.428 189 G N -1.655 107.061 108.800 -0.139 0.000 2.442 189 G HA2 -0.368 3.515 3.960 -0.129 0.000 0.219 189 G HA3 -0.368 3.466 3.960 -0.210 0.000 0.219 189 G C 0.660 175.478 174.900 -0.136 0.000 1.141 189 G CA 1.523 46.530 45.100 -0.156 0.000 0.763 189 G HN -0.064 8.133 8.290 -0.155 0.000 0.554 190 R N 1.057 121.478 120.500 -0.131 0.000 2.081 190 R HA -0.356 3.935 4.340 -0.082 0.000 0.235 190 R C 1.997 178.185 176.300 -0.186 0.000 1.131 190 R CA 3.648 59.684 56.100 -0.108 0.000 0.960 190 R CB -0.163 30.107 30.300 -0.050 0.000 0.856 190 R HN -0.343 7.757 8.270 -0.138 0.087 0.436 191 T N 2.293 116.750 114.554 -0.161 0.000 2.746 191 T HA -0.302 3.906 4.350 -0.235 0.000 0.267 191 T C 2.183 176.783 174.700 -0.168 0.000 1.039 191 T CA 4.842 66.835 62.100 -0.178 0.000 1.142 191 T CB -0.377 68.420 68.868 -0.117 0.000 0.866 191 T HN -0.471 7.692 8.240 -0.128 0.000 0.444 192 L N 0.733 121.882 121.223 -0.123 0.000 2.017 192 L HA -0.275 4.016 4.340 -0.082 0.000 0.208 192 L C 2.001 178.817 176.870 -0.091 0.000 1.073 192 L CA 3.392 58.177 54.840 -0.091 0.000 0.745 192 L CB -0.670 41.349 42.059 -0.067 0.000 0.894 192 L HN -0.498 7.663 8.230 -0.116 0.000 0.432 193 L N -1.514 119.642 121.223 -0.112 0.000 2.093 193 L HA -0.381 3.948 4.340 -0.018 0.000 0.208 193 L C 1.483 178.242 176.870 -0.185 0.000 1.085 193 L CA 3.193 57.978 54.840 -0.092 0.000 0.755 193 L CB -0.539 41.482 42.059 -0.064 0.000 0.904 193 L HN -0.266 7.891 8.230 -0.122 0.000 0.435 194 K N -0.484 119.678 120.400 -0.396 0.000 2.057 194 K HA -0.348 3.614 4.320 -0.597 0.000 0.207 194 K C 2.672 179.124 176.600 -0.247 0.000 1.049 194 K CA 3.255 59.195 56.287 -0.578 0.000 0.931 194 K CB -0.273 31.618 32.500 -1.015 0.000 0.714 194 K HN -0.090 7.912 8.250 -0.413 0.000 0.440 195 E N 0.710 120.809 120.200 -0.169 0.000 2.153 195 E HA -0.208 4.095 4.350 -0.080 0.000 0.194 195 E C 1.729 178.323 176.600 -0.010 0.000 0.988 195 E CA 2.223 58.575 56.400 -0.079 0.000 0.811 195 E CB -0.426 29.233 29.700 -0.068 0.000 0.746 195 E HN -0.530 7.716 8.360 -0.190 0.000 0.466 196 L N -4.123 117.118 121.223 0.031 0.000 2.622 196 L HA -0.178 4.228 4.340 0.111 0.000 0.233 196 L C 0.075 177.106 176.870 0.269 0.000 1.156 196 L CA 0.386 55.319 54.840 0.155 0.000 0.866 196 L CB 0.274 42.483 42.059 0.250 0.000 0.980 196 L HN -0.482 7.728 8.230 -0.001 0.019 0.448 197 G N -4.006 104.880 108.800 0.143 0.000 2.131 197 G HA2 -0.331 3.684 3.960 0.091 0.000 0.223 197 G HA3 -0.331 3.767 3.960 0.230 0.000 0.223 197 G C -0.464 174.497 174.900 0.103 0.000 0.990 197 G CA -0.427 44.771 45.100 0.163 0.000 0.671 197 G HN -0.483 7.650 8.290 0.048 0.186 0.521 198 A N 2.243 124.925 122.820 -0.229 0.000 2.445 198 A HA 0.254 3.927 4.320 -1.079 0.000 0.242 198 A C -1.881 175.641 177.584 -0.103 0.000 1.075 198 A CA -1.458 50.186 52.037 -0.656 0.000 0.777 198 A CB -0.103 18.405 19.000 -0.820 0.000 1.013 198 A HN -0.594 7.452 8.150 -0.174 0.000 0.493 199 P HA 0.161 4.580 4.420 -0.001 0.000 0.274 199 P C 0.429 177.563 177.300 -0.277 0.000 1.237 199 P CA -0.828 62.223 63.100 -0.082 0.000 0.793 199 P CB 1.040 32.688 31.700 -0.087 0.000 0.977 200 E N 1.966 121.885 120.200 -0.469 0.000 2.118 200 E HA -0.442 2.629 4.350 -2.132 0.000 0.195 200 E C 2.263 178.503 176.600 -0.601 0.000 0.992 200 E CA 4.050 59.861 56.400 -0.982 0.000 0.804 200 E CB -0.318 29.055 29.700 -0.545 0.000 0.741 200 E HN 0.456 8.658 8.360 -0.264 0.000 0.458 201 R N -1.658 118.650 120.500 -0.319 0.000 2.127 201 R HA -0.281 3.947 4.340 -0.187 0.000 0.238 201 R C 0.993 177.182 176.300 -0.185 0.000 1.134 201 R CA 2.539 58.517 56.100 -0.202 0.000 0.975 201 R CB -0.506 29.722 30.300 -0.121 0.000 0.865 201 R HN 0.139 8.229 8.270 -0.266 0.020 0.447 202 L N -5.297 115.800 121.223 -0.209 0.000 2.145 202 L HA -0.040 4.241 4.340 -0.098 0.000 0.201 202 L C 2.351 179.153 176.870 -0.113 0.000 1.075 202 L CA 1.826 56.582 54.840 -0.140 0.000 0.773 202 L CB 0.690 42.658 42.059 -0.152 0.000 0.936 202 L HN -0.524 7.432 8.230 -0.247 0.126 0.451 203 Y N -4.002 116.215 120.300 -0.138 0.000 2.516 203 Y HA -0.135 4.339 4.550 -0.126 0.000 0.291 203 Y C 0.261 176.106 175.900 -0.092 0.000 1.131 203 Y CA 0.627 58.653 58.100 -0.125 0.000 1.281 203 Y CB -0.753 37.624 38.460 -0.137 0.000 1.013 203 Y HN -0.441 7.665 8.280 -0.290 0.000 0.554 204 L N -3.591 117.488 121.223 -0.241 0.000 2.818 204 L HA 0.185 4.506 4.340 -0.032 0.000 0.243 204 L C -0.654 176.159 176.870 -0.095 0.000 1.185 204 L CA -1.056 53.704 54.840 -0.133 0.000 0.988 204 L CB -0.483 41.459 42.059 -0.193 0.000 1.292 204 L HN -0.387 7.544 8.230 -0.450 0.029 0.519 205 K N 1.036 121.384 120.400 -0.086 0.000 2.451 205 K HA -0.160 4.127 4.320 -0.055 0.000 0.280 205 K C -0.203 176.385 176.600 -0.020 0.000 1.020 205 K CA 0.361 56.618 56.287 -0.051 0.000 1.008 205 K CB 0.601 33.078 32.500 -0.039 0.000 0.917 205 K HN -0.997 7.025 8.250 -0.095 0.170 0.478 206 E N 5.675 125.874 120.200 -0.002 0.000 2.493 206 E HA -0.029 4.339 4.350 0.030 0.000 0.255 206 E C -1.156 175.472 176.600 0.047 0.000 0.999 206 E CA -1.338 55.078 56.400 0.026 0.000 0.934 206 E CB 0.262 29.980 29.700 0.031 0.000 0.940 206 E HN 0.094 8.449 8.360 -0.008 0.000 0.473 207 P HA 0.038 4.502 4.420 0.074 0.000 0.265 207 P C -2.025 175.360 177.300 0.142 0.000 1.193 207 P CA 0.218 63.379 63.100 0.102 0.000 0.765 207 P CB 0.399 32.186 31.700 0.144 0.000 0.823 208 T N 1.140 115.781 114.554 0.145 0.000 2.942 208 T HA 0.219 4.830 4.350 0.192 -0.146 0.327 208 T C -1.523 173.272 174.700 0.158 0.000 1.360 208 T CA -1.396 60.798 62.100 0.157 0.000 1.055 208 T CB 2.261 71.192 68.868 0.105 0.000 1.261 208 T HN -0.248 8.069 8.240 0.129 0.000 0.485 209 A N 3.887 126.806 122.820 0.166 0.000 2.072 209 A HA 0.113 4.488 4.320 0.092 0.000 0.216 209 A C -0.340 177.274 177.584 0.051 0.000 1.156 209 A CA 0.630 52.720 52.037 0.089 0.000 0.701 209 A CB 0.467 19.466 19.000 -0.003 0.000 0.816 209 A HN 0.619 8.888 8.150 0.198 0.000 0.458 210 D N -2.069 118.366 120.400 0.059 0.000 2.704 210 D HA -0.316 4.353 4.640 0.049 0.000 0.232 210 D C -0.717 175.594 176.300 0.018 0.000 1.183 210 D CA 0.778 54.805 54.000 0.046 0.000 0.647 210 D CB -1.398 39.436 40.800 0.056 0.000 1.013 210 D HN -0.404 7.975 8.370 0.078 0.037 0.415 211 L N -5.005 116.214 121.223 -0.006 0.000 2.556 211 L HA 0.039 4.347 4.340 -0.053 0.000 0.226 211 L C -0.107 176.739 176.870 -0.039 0.000 1.089 211 L CA 0.065 54.880 54.840 -0.041 0.000 0.864 211 L CB 0.661 42.681 42.059 -0.066 0.000 1.067 211 L HN 0.114 8.343 8.230 -0.002 0.000 0.477 212 L N -2.441 118.784 121.223 0.004 0.000 2.289 212 L HA -0.013 4.349 4.340 0.037 0.000 0.285 212 L C -0.569 176.316 176.870 0.026 0.000 1.049 212 L CA -0.780 54.083 54.840 0.038 0.000 0.804 212 L CB 1.213 43.330 42.059 0.097 0.000 1.195 212 L HN -0.653 7.586 8.230 0.015 0.000 0.428 213 D N 3.083 123.494 120.400 0.018 0.000 2.183 213 D HA -0.107 4.554 4.640 0.035 0.000 0.203 213 D C 1.253 177.579 176.300 0.043 0.000 0.969 213 D CA 2.675 56.693 54.000 0.031 0.000 0.842 213 D CB 0.224 41.044 40.800 0.032 0.000 0.957 213 D HN 0.289 8.986 8.370 0.013 -0.319 0.484 214 E N -1.920 118.308 120.200 0.048 0.000 2.385 214 E HA -0.013 4.359 4.350 0.037 0.000 0.194 214 E C -0.197 176.435 176.600 0.054 0.000 1.013 214 E CA 0.503 56.929 56.400 0.044 0.000 0.866 214 E CB 0.622 30.342 29.700 0.033 0.000 0.832 214 E HN -0.482 8.240 8.360 0.053 -0.330 0.500 215 K N -1.529 118.911 120.400 0.067 0.000 3.207 215 K HA 0.443 4.798 4.320 0.058 0.000 0.166 215 K C -2.832 173.805 176.600 0.061 0.000 1.079 215 K CA -2.814 53.514 56.287 0.068 0.000 0.818 215 K CB 0.613 33.166 32.500 0.089 0.000 0.967 215 K HN -0.278 7.970 8.250 0.070 0.044 0.594 216 P HA -0.069 4.561 4.420 0.049 -0.181 0.269 216 P C -0.243 177.088 177.300 0.051 0.000 1.215 216 P CA -0.098 63.032 63.100 0.050 0.000 0.780 216 P CB 0.613 32.343 31.700 0.050 0.000 0.898 217 Q N -5.209 114.623 119.800 0.053 0.000 2.480 217 Q HA -0.562 3.814 4.340 0.060 0.000 0.265 217 Q C -0.547 175.489 176.000 0.060 0.000 1.072 217 Q CA 1.192 57.029 55.803 0.056 0.000 1.018 217 Q CB -2.741 26.026 28.738 0.049 0.000 1.433 217 Q HN 0.299 8.937 8.270 0.053 -0.337 0.513 218 Q N -0.170 119.669 119.800 0.065 0.000 2.330 218 Q HA -0.127 4.249 4.340 0.059 0.000 0.279 218 Q C -0.750 175.299 176.000 0.083 0.000 1.024 218 Q CA 0.489 56.333 55.803 0.069 0.000 0.900 218 Q CB 1.208 29.988 28.738 0.071 0.000 1.221 218 Q HN -0.654 7.620 8.270 0.064 0.035 0.396 219 S N 4.720 120.461 115.700 0.069 0.000 2.580 219 S HA 0.106 4.798 4.470 0.098 -0.163 0.274 219 S C 1.026 175.669 174.600 0.072 0.000 1.329 219 S CA -0.808 57.437 58.200 0.076 0.000 1.036 219 S CB 1.779 65.012 63.200 0.054 0.000 0.919 219 S HN 0.320 8.663 8.310 0.055 0.000 0.515 220 D N 4.423 124.880 120.400 0.094 0.000 2.123 220 D HA -0.365 4.317 4.640 0.070 0.000 0.196 220 D C 1.811 177.971 176.300 -0.234 0.000 0.992 220 D CA 3.791 57.765 54.000 -0.044 0.000 0.833 220 D CB -0.245 40.504 40.800 -0.084 0.000 0.954 220 D HN -0.130 8.322 8.370 0.137 0.000 0.455 221 E N -0.850 119.249 120.200 -0.168 0.000 2.118 221 E HA -0.333 3.969 4.350 -0.319 -0.143 0.195 221 E C 1.989 178.511 176.600 -0.129 0.000 0.992 221 E CA 2.946 59.224 56.400 -0.203 0.000 0.804 221 E CB -0.322 29.305 29.700 -0.121 0.000 0.741 221 E HN 0.270 8.577 8.360 -0.073 0.009 0.458 222 T N 0.341 114.859 114.554 -0.060 0.000 2.746 222 T HA -0.346 3.987 4.350 -0.029 0.000 0.267 222 T C 1.496 176.179 174.700 -0.028 0.000 1.039 222 T CA 4.135 66.220 62.100 -0.026 0.000 1.142 222 T CB -0.321 68.552 68.868 0.008 0.000 0.866 222 T HN -0.654 7.457 8.240 -0.040 0.105 0.444 223 E N 0.158 120.345 120.200 -0.021 0.000 2.107 223 E HA -0.152 4.204 4.350 0.010 0.000 0.191 223 E C 2.134 178.703 176.600 -0.051 0.000 0.982 223 E CA 2.198 58.600 56.400 0.003 0.000 0.809 223 E CB 0.216 29.992 29.700 0.126 0.000 0.756 223 E HN -0.755 7.596 8.360 -0.016 0.000 0.459 224 L N -3.875 117.243 121.223 -0.174 0.000 2.179 224 L HA -0.172 4.071 4.340 -0.162 0.000 0.208 224 L C 1.179 177.956 176.870 -0.155 0.000 1.096 224 L CA 0.977 55.684 54.840 -0.222 0.000 0.779 224 L CB 0.813 42.612 42.059 -0.433 0.000 0.922 224 L HN -0.201 7.891 8.230 -0.229 0.000 0.443 225 G N -1.332 107.387 108.800 -0.136 0.000 2.162 225 G HA2 -0.364 3.547 3.960 -0.081 0.000 0.260 225 G HA3 -0.364 3.546 3.960 -0.082 0.000 0.260 225 G C -0.734 174.094 174.900 -0.120 0.000 0.976 225 G CA 0.837 45.877 45.100 -0.100 0.000 0.655 225 G HN -0.401 7.806 8.290 -0.139 0.000 0.533 226 I N -1.247 119.219 120.570 -0.175 0.000 2.894 226 I HA 0.325 4.415 4.170 -0.133 0.000 0.302 226 I C -2.305 173.668 176.117 -0.241 0.000 1.188 226 I CA -2.321 58.873 61.300 -0.178 0.000 1.014 226 I CB 3.202 41.094 38.000 -0.180 0.000 1.242 226 I HN -0.853 7.156 8.210 -0.216 0.071 0.430 227 S N 4.714 120.309 115.700 -0.176 0.000 2.687 227 S HA 0.316 4.647 4.470 -0.232 0.000 0.283 227 S C 0.842 175.331 174.600 -0.185 0.000 1.170 227 S CA -1.085 57.010 58.200 -0.176 0.000 1.008 227 S CB 2.756 65.918 63.200 -0.064 0.000 1.026 227 S HN 0.200 8.747 8.310 -0.129 -0.315 0.541 228 Y N 2.275 122.549 120.300 -0.044 0.000 2.274 228 Y HA -0.358 4.176 4.550 -0.026 0.000 0.290 228 Y C 1.781 177.677 175.900 -0.006 0.000 1.145 228 Y CA 4.749 62.836 58.100 -0.023 0.000 1.203 228 Y CB -0.002 38.451 38.460 -0.012 0.000 0.984 228 Y HN 0.485 8.743 8.280 -0.036 0.000 0.533 229 D N -2.438 118.034 120.400 0.121 0.000 2.224 229 D HA -0.224 4.474 4.640 0.097 0.000 0.205 229 D C 2.083 178.418 176.300 0.058 0.000 0.965 229 D CA 3.183 57.233 54.000 0.083 0.000 0.852 229 D CB -0.423 40.410 40.800 0.056 0.000 0.947 229 D HN 0.062 8.475 8.370 0.101 0.018 0.494 230 E N 0.415 120.633 120.200 0.029 0.000 2.072 230 E HA -0.297 4.073 4.350 0.034 0.000 0.191 230 E C 2.398 179.027 176.600 0.049 0.000 0.985 230 E CA 3.030 59.443 56.400 0.022 0.000 0.801 230 E CB 0.070 29.758 29.700 -0.020 0.000 0.750 230 E HN -0.889 7.479 8.360 0.013 0.000 0.452 231 I N 0.207 120.795 120.570 0.030 0.000 2.163 231 I HA -0.581 3.617 4.170 0.047 0.000 0.243 231 I C 1.782 177.985 176.117 0.144 0.000 1.085 231 I CA 4.288 65.629 61.300 0.069 0.000 1.347 231 I CB -0.248 37.776 38.000 0.040 0.000 1.044 231 I HN -0.562 7.646 8.210 -0.002 0.000 0.408 232 D N -0.290 120.191 120.400 0.135 0.000 2.117 232 D HA -0.290 4.422 4.640 0.120 0.000 0.197 232 D C 2.453 178.803 176.300 0.084 0.000 0.987 232 D CA 3.449 57.516 54.000 0.112 0.000 0.829 232 D CB -0.863 39.992 40.800 0.091 0.000 0.961 232 D HN -0.084 8.367 8.370 0.134 0.000 0.460 233 D N 0.044 120.491 120.400 0.079 0.000 2.104 233 D HA -0.292 4.367 4.640 0.032 0.000 0.194 233 D C 1.831 178.171 176.300 0.067 0.000 0.994 233 D CA 3.451 57.485 54.000 0.057 0.000 0.830 233 D CB -0.305 40.528 40.800 0.055 0.000 0.959 233 D HN -0.373 8.045 8.370 0.080 0.000 0.452 234 Y N 1.364 121.657 120.300 -0.011 0.000 2.097 234 Y HA -0.365 4.169 4.550 -0.027 0.000 0.282 234 Y C 2.663 178.545 175.900 -0.029 0.000 1.152 234 Y CA 3.380 61.465 58.100 -0.025 0.000 1.136 234 Y CB 0.197 38.639 38.460 -0.030 0.000 0.975 234 Y HN -0.577 7.838 8.280 0.226 0.000 0.498 235 L N -3.398 117.884 121.223 0.099 0.000 2.131 235 L HA -0.359 3.964 4.340 -0.028 0.000 0.210 235 L C 1.276 178.106 176.870 -0.067 0.000 1.092 235 L CA 2.643 57.491 54.840 0.013 0.000 0.759 235 L CB -0.067 42.050 42.059 0.097 0.000 0.903 235 L HN -0.276 8.076 8.230 0.203 0.000 0.435 236 E N -5.818 114.354 120.200 -0.045 0.000 2.489 236 E HA -0.033 4.289 4.350 -0.047 0.000 0.193 236 E C 0.504 177.053 176.600 -0.085 0.000 1.057 236 E CA 0.131 56.501 56.400 -0.051 0.000 0.866 236 E CB 0.673 30.360 29.700 -0.022 0.000 0.916 236 E HN -0.585 7.739 8.360 -0.016 0.026 0.500 237 G N -1.573 107.141 108.800 -0.145 0.000 2.132 237 G HA2 -0.409 3.411 3.960 -0.234 0.000 0.234 237 G HA3 -0.409 3.470 3.960 -0.134 0.000 0.234 237 G C -0.195 174.637 174.900 -0.114 0.000 0.989 237 G CA 0.257 45.260 45.100 -0.162 0.000 0.676 237 G HN -0.433 7.572 8.290 -0.177 0.179 0.522 238 K N 0.200 120.550 120.400 -0.083 0.000 2.126 238 K HA 0.043 4.337 4.320 -0.043 0.000 0.257 238 K C -0.360 176.216 176.600 -0.040 0.000 1.007 238 K CA -0.655 55.605 56.287 -0.046 0.000 0.928 238 K CB 0.927 33.416 32.500 -0.018 0.000 1.013 238 K HN -0.521 7.636 8.250 -0.081 0.044 0.473 239 E N 1.401 121.589 120.200 -0.020 0.000 2.417 239 E HA -0.198 4.148 4.350 -0.006 0.000 0.261 239 E C -0.299 176.314 176.600 0.022 0.000 1.000 239 E CA 0.711 57.110 56.400 -0.003 0.000 0.919 239 E CB -0.278 29.420 29.700 -0.003 0.000 0.955 239 E HN 0.145 8.493 8.360 -0.020 0.000 0.455 240 V N -0.232 119.712 119.914 0.049 0.000 3.126 240 V HA 0.332 4.479 4.120 0.044 0.000 0.314 240 V C -0.288 175.834 176.094 0.047 0.000 1.138 240 V CA -2.387 59.951 62.300 0.062 0.000 1.034 240 V CB 2.687 34.580 31.823 0.116 0.000 1.075 240 V HN -0.162 8.059 8.190 0.053 0.000 0.442 241 S N 0.787 116.505 115.700 0.030 0.000 2.573 241 S HA -0.030 4.449 4.470 0.015 0.000 0.277 241 S C 1.018 175.629 174.600 0.019 0.000 1.346 241 S CA -0.230 57.980 58.200 0.017 0.000 1.034 241 S CB 0.781 63.983 63.200 0.004 0.000 0.879 241 S HN -0.120 8.207 8.310 0.027 0.000 0.528 242 A N 3.230 126.057 122.820 0.013 0.000 1.972 242 A HA -0.134 4.199 4.320 0.021 0.000 0.219 242 A C 2.442 180.024 177.584 -0.004 0.000 1.169 242 A CA 2.572 54.616 52.037 0.011 0.000 0.635 242 A CB -0.368 18.637 19.000 0.008 0.000 0.810 242 A HN 0.681 8.838 8.150 0.010 0.000 0.446 243 K N -1.402 118.992 120.400 -0.010 0.000 2.020 243 K HA -0.308 3.998 4.320 -0.023 0.000 0.212 243 K C 2.097 178.671 176.600 -0.042 0.000 1.050 243 K CA 3.519 59.792 56.287 -0.023 0.000 0.929 243 K CB -0.461 32.026 32.500 -0.021 0.000 0.714 243 K HN 0.056 8.286 8.250 -0.006 0.016 0.443 244 V N -1.686 118.203 119.914 -0.041 0.000 2.307 244 V HA -0.378 3.687 4.120 -0.091 0.000 0.245 244 V C 1.535 177.549 176.094 -0.134 0.000 1.045 244 V CA 3.847 66.102 62.300 -0.075 0.000 1.024 244 V CB -0.585 31.216 31.823 -0.037 0.000 0.651 244 V HN -0.524 7.570 8.190 -0.023 0.082 0.449 245 S N -0.060 115.596 115.700 -0.073 0.000 2.368 245 S HA -0.340 3.936 4.470 -0.324 0.000 0.224 245 S C 2.470 176.999 174.600 -0.119 0.000 1.029 245 S CA 4.328 62.469 58.200 -0.099 0.000 0.988 245 S CB -0.460 62.823 63.200 0.139 0.000 0.838 245 S HN -0.188 8.112 8.310 -0.016 0.000 0.462 246 E N 2.788 122.953 120.200 -0.058 0.000 2.077 246 E HA -0.287 4.047 4.350 -0.027 0.000 0.193 246 E C 2.227 178.787 176.600 -0.067 0.000 0.989 246 E CA 2.996 59.371 56.400 -0.042 0.000 0.800 246 E CB -0.245 29.443 29.700 -0.020 0.000 0.746 246 E HN -0.173 8.162 8.360 -0.041 0.000 0.452 247 A N -0.410 122.356 122.820 -0.090 0.000 1.898 247 A HA -0.170 4.113 4.320 -0.062 0.000 0.216 247 A C 2.184 179.695 177.584 -0.122 0.000 1.181 247 A CA 3.026 55.009 52.037 -0.090 0.000 0.620 247 A CB -0.585 18.360 19.000 -0.092 0.000 0.819 247 A HN -0.593 7.488 8.150 -0.092 0.014 0.442 248 L N -2.470 118.622 121.223 -0.219 0.000 2.093 248 L HA -0.453 3.773 4.340 -0.189 0.000 0.208 248 L C 2.465 179.225 176.870 -0.183 0.000 1.085 248 L CA 3.171 57.843 54.840 -0.280 0.000 0.755 248 L CB -0.301 41.404 42.059 -0.589 0.000 0.904 248 L HN -0.078 8.000 8.230 -0.254 0.000 0.435 249 E N -1.178 118.917 120.200 -0.175 0.000 2.106 249 E HA -0.424 3.924 4.350 -0.003 0.000 0.192 249 E C 2.187 178.823 176.600 0.060 0.000 0.984 249 E CA 3.465 59.850 56.400 -0.025 0.000 0.806 249 E CB -0.372 29.328 29.700 -0.000 0.000 0.750 249 E HN -0.125 8.101 8.360 -0.223 0.000 0.458 250 K N -0.494 119.917 120.400 0.019 0.000 2.057 250 K HA -0.308 4.046 4.320 0.056 0.000 0.206 250 K C 2.030 178.659 176.600 0.048 0.000 1.050 250 K CA 3.089 59.398 56.287 0.038 0.000 0.935 250 K CB 0.050 32.558 32.500 0.013 0.000 0.715 250 K HN -0.466 7.774 8.250 -0.016 0.000 0.439 251 R N -1.368 119.147 120.500 0.026 0.000 2.092 251 R HA -0.345 4.004 4.340 0.015 0.000 0.231 251 R C 2.025 178.356 176.300 0.051 0.000 1.119 251 R CA 3.122 59.235 56.100 0.022 0.000 0.970 251 R CB -0.171 30.123 30.300 -0.011 0.000 0.864 251 R HN -0.569 7.701 8.270 0.000 0.000 0.440 252 Y N 0.631 120.909 120.300 -0.037 0.000 2.128 252 Y HA -0.337 4.320 4.550 -0.028 -0.124 0.284 252 Y C 2.369 178.277 175.900 0.012 0.000 1.154 252 Y CA 3.200 61.289 58.100 -0.018 0.000 1.149 252 Y CB -0.063 38.393 38.460 -0.006 0.000 0.976 252 Y HN 0.018 8.405 8.280 0.178 0.000 0.505 253 S N -0.414 115.369 115.700 0.138 0.000 2.368 253 S HA -0.298 4.209 4.470 0.062 0.000 0.225 253 S C 2.418 177.057 174.600 0.065 0.000 1.030 253 S CA 3.367 61.621 58.200 0.090 0.000 0.999 253 S CB -0.168 63.117 63.200 0.142 0.000 0.844 253 S HN -0.514 7.923 8.310 0.211 0.000 0.459 254 M N -1.873 117.763 119.600 0.061 0.000 2.374 254 M HA -0.116 4.436 4.480 0.120 0.000 0.264 254 M C 1.322 177.686 176.300 0.107 0.000 1.067 254 M CA 2.555 57.907 55.300 0.087 0.000 1.103 254 M CB -0.175 32.460 32.600 0.059 0.000 1.402 254 M HN -0.236 8.088 8.290 0.056 0.000 0.444 255 T N -7.532 106.991 114.554 -0.052 0.000 3.129 255 T HA 0.341 4.521 4.350 -0.283 0.000 0.267 255 T C 0.432 174.880 174.700 -0.420 0.000 1.018 255 T CA -1.373 60.567 62.100 -0.266 0.000 0.903 255 T CB 1.019 69.704 68.868 -0.304 0.000 1.067 255 T HN -0.572 7.458 8.240 -0.086 0.158 0.549 256 E N 3.854 123.890 120.200 -0.274 0.000 2.171 256 E HA -0.402 3.626 4.350 -0.538 0.000 0.197 256 E C 1.073 177.355 176.600 -0.531 0.000 0.997 256 E CA 3.066 59.226 56.400 -0.399 0.000 0.810 256 E CB -0.432 29.164 29.700 -0.174 0.000 0.738 256 E HN -0.801 7.476 8.360 -0.138 0.000 0.467 257 H N -4.897 114.049 119.070 -0.207 0.000 2.457 257 H HA -0.198 4.155 4.556 -0.338 0.000 0.297 257 H C 1.893 177.102 175.328 -0.199 0.000 1.092 257 H CA 2.028 57.989 56.048 -0.145 0.000 1.309 257 H CB -0.628 29.230 29.762 0.160 0.000 1.382 257 H HN 0.310 8.636 8.280 0.116 0.024 0.535 258 K N -1.833 118.125 120.400 -0.735 0.000 2.432 258 K HA -0.075 4.037 4.320 -0.346 0.000 0.196 258 K C 0.691 177.214 176.600 -0.129 0.000 1.038 258 K CA 1.657 57.675 56.287 -0.449 0.000 0.986 258 K CB 0.114 32.196 32.500 -0.698 0.000 0.782 258 K HN -0.445 7.065 8.250 -1.008 0.136 0.485 259 R N -3.947 116.402 120.500 -0.251 0.000 2.509 259 R HA 0.119 4.422 4.340 -0.062 0.000 0.300 259 R C -0.561 175.585 176.300 -0.256 0.000 0.985 259 R CA -0.293 55.700 56.100 -0.179 0.000 1.092 259 R CB 0.504 30.683 30.300 -0.201 0.000 1.237 259 R HN -0.485 7.373 8.270 -0.392 0.176 0.546 260 Q N -1.487 118.120 119.800 -0.322 0.000 2.451 260 Q HA 0.175 4.382 4.340 -0.222 0.000 0.281 260 Q C -0.968 175.011 176.000 -0.034 0.000 1.099 260 Q CA -1.434 54.190 55.803 -0.299 0.000 0.806 260 Q CB 3.172 31.428 28.738 -0.803 0.000 1.419 260 Q HN -0.588 7.425 8.270 -0.312 0.070 0.427 261 V N -1.686 118.275 119.914 0.077 0.000 3.432 261 V HA 0.084 4.309 4.120 0.174 0.000 0.304 261 V C -1.565 174.686 176.094 0.263 0.000 1.107 261 V CA -1.933 60.470 62.300 0.171 0.000 1.153 261 V CB -1.213 30.704 31.823 0.156 0.000 1.072 261 V HN 0.205 8.432 8.190 0.061 0.000 0.485 262 P HA -0.076 4.527 4.420 0.305 0.000 0.265 262 P C -1.116 176.362 177.300 0.297 0.000 1.187 262 P CA 0.520 63.782 63.100 0.270 0.000 0.766 262 P CB 0.275 32.086 31.700 0.186 0.000 0.820 263 A N 2.745 125.734 122.820 0.281 0.000 2.440 263 A HA -0.044 4.624 4.320 0.326 -0.153 0.251 263 A C -0.348 177.252 177.584 0.027 0.000 1.089 263 A CA -0.100 52.028 52.037 0.152 0.000 0.779 263 A CB 0.453 19.298 19.000 -0.259 0.000 1.022 263 A HN -0.016 8.288 8.150 0.257 0.000 0.492 264 S N 4.480 120.239 115.700 0.098 0.000 2.751 264 S HA 0.365 4.835 4.470 0.000 0.000 0.310 264 S C 1.099 175.734 174.600 0.058 0.000 1.128 264 S CA -1.273 56.975 58.200 0.079 0.000 0.931 264 S CB 2.011 65.356 63.200 0.242 0.000 1.177 264 S HN 0.186 8.938 8.310 0.185 -0.331 0.530 265 M N -2.536 117.006 119.600 -0.096 0.000 2.460 265 M HA -0.084 4.421 4.480 0.043 0.000 0.263 265 M C -0.335 175.793 176.300 -0.287 0.000 1.071 265 M CA 2.718 57.904 55.300 -0.191 0.000 1.096 265 M CB -0.199 32.179 32.600 -0.370 0.000 1.408 265 M HN 0.295 8.508 8.290 -0.127 0.000 0.463 266 F N -2.366 117.651 119.950 0.113 0.000 2.780 266 F HA -0.116 4.451 4.527 0.067 0.000 0.299 266 F C 0.214 176.072 175.800 0.095 0.000 1.146 266 F CA 0.560 58.613 58.000 0.088 0.000 1.428 266 F CB -0.140 38.908 39.000 0.080 0.000 1.115 266 F HN -0.845 7.340 8.300 -0.107 0.052 0.583 267 D N -0.211 120.335 120.400 0.244 0.000 2.193 267 D HA 0.131 4.882 4.640 0.185 0.000 0.249 267 D C -0.461 175.767 176.300 -0.121 0.000 1.034 267 D CA -0.011 54.080 54.000 0.152 0.000 0.902 267 D CB 1.306 42.218 40.800 0.186 0.000 1.182 267 D HN -0.720 7.643 8.370 0.258 0.161 0.436 268 D N 0.662 120.913 120.400 -0.248 0.000 2.500 268 D HA 0.085 4.219 4.640 -0.843 0.000 0.217 268 D C 1.625 177.629 176.300 -0.494 0.000 1.159 268 D CA 1.019 54.711 54.000 -0.513 0.000 0.828 268 D CB 0.960 41.609 40.800 -0.251 0.000 1.039 268 D HN 0.329 8.661 8.370 -0.063 0.000 0.512 269 W N 0.425 121.672 121.300 -0.088 0.000 2.421 269 W HA -0.235 4.408 4.660 -0.029 0.000 0.270 269 W C -0.422 176.118 176.519 0.035 0.000 1.233 269 W CA 1.704 59.050 57.345 0.001 0.000 1.226 269 W CB -0.852 28.661 29.460 0.088 0.000 1.121 269 W HN -0.375 7.654 8.180 -0.251 0.000 0.579 270 W N -5.678 115.341 121.300 -0.468 0.000 3.139 270 W HA 0.234 4.907 4.660 0.021 0.000 0.260 270 W C -0.315 176.114 176.519 -0.150 0.000 1.312 270 W CA -2.029 55.108 57.345 -0.345 0.000 1.606 270 W CB -0.395 28.555 29.460 -0.850 0.000 1.118 270 W HN -0.342 7.165 8.180 -1.040 0.049 0.675 271 K N 0.000 120.051 120.400 -0.582 0.000 2.780 271 K HA 0.000 4.042 4.320 -0.464 0.000 0.191 271 K CA 0.000 55.966 56.287 -0.535 0.000 0.838 271 K CB 0.000 32.018 32.500 -0.804 0.000 1.064 271 K HN 0.000 7.749 8.250 -0.730 0.064 0.543