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 2k2q_1_B DATA FIRST_RESID 1 DATA SEQUENCE MSQLFKSFDA SEKTQLICFP FAGGYSASFR PLHAFLQGEC EMLAAEPPGH DATA SEQUENCE GTNQTSAIED LEELTDLYKQ ELNLRPDRPF VLFGHSMGGM ITFRLAQKLE DATA SEQUENCE REGIFPQAVI ISAIQPPHIQ RKKVSHLPDD QFLDHIIQLG GMPAELVENK DATA SEQUENCE EVMSFFLPSF RSDYRALEQF ELYDLAQIQS PVHVFNGLDD KKCIRDAEGW DATA SEQUENCE KKWAKDITFH QFDGGHMFLL SQTEEVAERI FAILNQHPII QP 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 M HA 0.000 4.499 4.480 0.032 0.000 0.227 1 M C 0.000 176.341 176.300 0.069 0.000 1.140 1 M CA 0.000 55.322 55.300 0.037 0.000 0.988 1 M CB 0.000 32.610 32.600 0.016 0.000 1.302 2 S N -0.072 115.678 115.700 0.083 0.000 2.533 2 S HA 0.325 4.875 4.470 0.133 0.000 0.271 2 S C -1.570 173.101 174.600 0.117 0.000 1.143 2 S CA -0.163 58.105 58.200 0.113 0.000 0.891 2 S CB 3.170 66.435 63.200 0.108 0.000 1.105 2 S HN -0.392 7.962 8.310 0.074 0.000 0.468 3 Q N 1.962 121.849 119.800 0.145 0.000 2.274 3 Q HA 0.398 4.814 4.340 0.126 0.000 0.260 3 Q C -1.751 174.336 176.000 0.145 0.000 0.974 3 Q CA -1.338 54.551 55.803 0.143 0.000 0.876 3 Q CB 2.514 31.342 28.738 0.151 0.000 1.297 3 Q HN 0.417 8.793 8.270 0.176 0.000 0.446 4 L N 2.179 123.488 121.223 0.144 0.000 2.482 4 L HA 0.284 4.702 4.340 0.130 0.000 0.263 4 L C -1.807 175.191 176.870 0.215 0.000 0.957 4 L CA 0.209 55.134 54.840 0.142 0.000 0.836 4 L CB 3.824 45.940 42.059 0.094 0.000 1.324 4 L HN 0.260 8.577 8.230 0.145 0.000 0.406 5 F N 7.276 127.254 119.950 0.046 0.000 2.460 5 F HA 0.465 5.022 4.527 0.050 0.000 0.341 5 F C -2.718 173.110 175.800 0.047 0.000 1.130 5 F CA -1.410 56.617 58.000 0.045 0.000 0.962 5 F CB 2.884 41.907 39.000 0.039 0.000 1.171 5 F HN 0.833 9.278 8.300 0.241 0.000 0.436 6 K N 4.548 124.627 120.400 -0.536 0.000 2.444 6 K HA 0.272 4.320 4.320 -0.453 0.000 0.252 6 K C -1.057 175.177 176.600 -0.611 0.000 0.993 6 K CA -1.826 54.188 56.287 -0.455 0.000 0.847 6 K CB 3.036 35.505 32.500 -0.052 0.000 1.340 6 K HN 0.233 8.281 8.250 -0.337 0.000 0.446 7 S N -0.359 115.103 115.700 -0.396 0.000 2.548 7 S HA 0.238 4.441 4.470 -0.445 0.000 0.168 7 S C -2.066 172.413 174.600 -0.201 0.000 1.068 7 S CA 0.044 58.022 58.200 -0.371 0.000 1.129 7 S CB 1.153 64.142 63.200 -0.351 0.000 1.435 7 S HN 0.570 9.070 8.310 -0.220 -0.322 0.410 8 F N 1.005 120.856 119.950 -0.166 0.000 2.458 8 F HA 0.364 4.818 4.527 -0.123 0.000 0.330 8 F C -1.659 174.073 175.800 -0.113 0.000 1.082 8 F CA -1.845 56.071 58.000 -0.140 0.000 0.995 8 F CB 1.590 40.491 39.000 -0.164 0.000 1.170 8 F HN -0.435 7.296 8.300 -0.948 0.000 0.478 9 D N 2.218 122.668 120.400 0.083 0.000 2.788 9 D HA 0.133 4.770 4.640 -0.005 0.000 0.247 9 D C -0.213 176.125 176.300 0.064 0.000 1.236 9 D CA 0.154 54.171 54.000 0.028 0.000 0.898 9 D CB 2.671 43.461 40.800 -0.016 0.000 1.401 9 D HN 0.351 8.788 8.370 0.112 0.000 0.549 10 A N 5.455 128.317 122.820 0.070 0.000 2.826 10 A HA -0.351 3.996 4.320 0.045 0.000 0.274 10 A C -0.434 177.171 177.584 0.035 0.000 1.443 10 A CA 0.805 52.870 52.037 0.045 0.000 0.833 10 A CB -1.063 17.951 19.000 0.022 0.000 1.023 10 A HN 0.601 8.796 8.150 0.075 0.000 0.600 11 S N -6.252 109.481 115.700 0.055 0.000 3.614 11 S HA -0.407 4.040 4.470 -0.039 0.000 0.360 11 S C 0.040 174.635 174.600 -0.009 0.000 1.023 11 S CA 0.298 58.490 58.200 -0.012 0.000 1.114 11 S CB -0.862 62.305 63.200 -0.054 0.000 0.907 11 S HN 0.230 8.585 8.310 0.136 0.037 0.470 12 E N 1.230 121.439 120.200 0.014 0.000 1.997 12 E HA -0.214 4.136 4.350 0.001 0.000 0.201 12 E C -0.206 176.389 176.600 -0.008 0.000 1.011 12 E CA 2.414 58.817 56.400 0.004 0.000 0.847 12 E CB 0.878 30.585 29.700 0.012 0.000 0.787 12 E HN -0.357 8.022 8.360 0.041 0.006 0.472 13 K N -2.444 117.949 120.400 -0.011 0.000 2.690 13 K HA 0.221 4.526 4.320 -0.026 0.000 0.264 13 K C -1.978 174.603 176.600 -0.033 0.000 1.040 13 K CA -0.565 55.708 56.287 -0.025 0.000 0.946 13 K CB 1.931 34.415 32.500 -0.026 0.000 1.268 13 K HN -0.025 8.225 8.250 -0.001 0.000 0.473 14 T N 6.574 121.106 114.554 -0.037 0.000 2.727 14 T HA 0.013 4.437 4.350 -0.029 -0.092 0.295 14 T C -0.871 173.802 174.700 -0.045 0.000 0.915 14 T CA 0.555 62.633 62.100 -0.036 0.000 1.066 14 T CB -0.037 68.803 68.868 -0.047 0.000 0.891 14 T HN 0.348 8.565 8.240 -0.038 0.000 0.516 15 Q N 6.033 125.801 119.800 -0.054 0.000 2.333 15 Q HA 0.227 4.527 4.340 -0.066 0.000 0.268 15 Q C -1.856 174.118 176.000 -0.043 0.000 1.007 15 Q CA -0.818 54.956 55.803 -0.047 0.000 0.810 15 Q CB 2.289 30.991 28.738 -0.060 0.000 1.264 15 Q HN 0.208 8.445 8.270 -0.054 0.000 0.452 16 L N 4.119 125.296 121.223 -0.077 0.000 2.272 16 L HA 0.258 4.708 4.340 -0.036 -0.132 0.289 16 L C -1.360 175.498 176.870 -0.020 0.000 1.032 16 L CA -0.540 54.262 54.840 -0.064 0.000 0.810 16 L CB 1.015 43.020 42.059 -0.090 0.000 1.205 16 L HN -0.119 8.001 8.230 -0.184 0.000 0.422 17 I N 2.523 123.079 120.570 -0.024 0.000 2.382 17 I HA 0.305 4.559 4.170 0.050 -0.055 0.286 17 I C -1.214 174.841 176.117 -0.102 0.000 1.002 17 I CA -1.326 59.965 61.300 -0.016 0.000 1.135 17 I CB 1.557 39.539 38.000 -0.031 0.000 1.288 17 I HN 0.264 8.451 8.210 -0.039 0.000 0.448 18 C N 9.249 128.476 119.300 -0.122 0.000 2.210 18 C HA -0.003 4.131 4.460 -0.543 0.000 0.377 18 C C -1.136 173.798 174.990 -0.093 0.000 1.037 18 C CA 0.311 59.156 59.018 -0.288 0.000 1.405 18 C CB -1.330 26.297 27.740 -0.189 0.000 1.802 18 C HN 0.862 8.926 8.230 -0.062 0.130 0.495 19 F N -1.197 118.851 119.950 0.163 0.000 2.267 19 F HA -0.332 4.298 4.527 0.172 0.000 0.352 19 F C -2.217 173.740 175.800 0.262 0.000 1.111 19 F CA -0.249 57.889 58.000 0.231 0.000 1.207 19 F CB -1.922 37.278 39.000 0.332 0.000 1.743 19 F HN -0.245 7.806 8.300 -0.414 0.000 0.776 20 P HA 0.184 4.562 4.420 -0.070 0.000 0.314 20 P C -1.396 175.995 177.300 0.153 0.000 1.306 20 P CA -0.450 62.688 63.100 0.064 0.000 0.782 20 P CB 1.290 33.005 31.700 0.026 0.000 1.337 21 F N -5.772 114.338 119.950 0.267 0.000 2.745 21 F HA 0.310 4.922 4.527 0.141 0.000 0.316 21 F C -1.781 174.145 175.800 0.209 0.000 1.155 21 F CA -2.219 55.899 58.000 0.196 0.000 0.937 21 F CB 0.435 39.524 39.000 0.148 0.000 1.361 21 F HN -0.169 7.904 8.300 -0.378 0.000 0.472 22 A N 1.318 124.410 122.820 0.452 0.000 2.395 22 A HA 0.130 4.519 4.320 0.116 0.000 0.286 22 A C -0.820 177.002 177.584 0.396 0.000 1.193 22 A CA -0.161 52.035 52.037 0.265 0.000 0.852 22 A CB -0.963 18.130 19.000 0.155 0.000 1.118 22 A HN 0.366 8.765 8.150 0.414 0.000 0.524 23 G N 1.838 110.803 108.800 0.276 0.000 2.727 23 G HA2 0.131 4.330 3.960 0.397 0.000 0.289 23 G HA3 0.131 4.570 3.960 0.798 0.000 0.289 23 G C -0.889 174.110 174.900 0.166 0.000 1.418 23 G CA -0.136 45.213 45.100 0.415 0.000 0.818 23 G HN -0.499 7.770 8.290 -0.035 0.000 0.486 24 G N -1.350 107.624 108.800 0.290 0.000 2.448 24 G HA2 -0.181 3.840 3.960 0.103 0.000 0.218 24 G HA3 -0.181 3.910 3.960 0.219 0.000 0.218 24 G C 0.542 175.525 174.900 0.139 0.000 1.135 24 G CA 1.591 46.799 45.100 0.180 0.000 0.784 24 G HN 0.555 9.102 8.290 0.429 0.000 0.543 25 Y N -0.450 119.911 120.300 0.103 0.000 2.181 25 Y HA -0.344 4.265 4.550 0.098 0.000 0.288 25 Y C 1.154 177.120 175.900 0.110 0.000 1.146 25 Y CA 1.003 59.146 58.100 0.072 0.000 1.164 25 Y CB -1.431 36.989 38.460 -0.066 0.000 0.982 25 Y HN -0.147 8.462 8.280 0.598 0.029 0.515 26 S N 2.479 117.706 115.700 -0.788 0.000 2.368 26 S HA -0.411 3.819 4.470 -0.401 0.000 0.224 26 S C 1.503 176.005 174.600 -0.164 0.000 1.029 26 S CA 3.943 61.822 58.200 -0.534 0.000 0.988 26 S CB -0.578 62.221 63.200 -0.668 0.000 0.838 26 S HN -0.652 6.900 8.310 -1.252 0.007 0.462 27 A N -1.318 121.428 122.820 -0.124 0.000 2.121 27 A HA -0.109 4.180 4.320 -0.051 0.000 0.218 27 A C 0.994 178.562 177.584 -0.027 0.000 1.154 27 A CA 2.197 54.205 52.037 -0.049 0.000 0.679 27 A CB -0.600 18.388 19.000 -0.021 0.000 0.795 27 A HN -0.433 7.545 8.150 -0.161 0.075 0.458 28 S N -1.708 113.988 115.700 -0.007 0.000 2.502 28 S HA 0.069 4.505 4.470 -0.057 0.000 0.228 28 S C 1.274 175.830 174.600 -0.073 0.000 1.061 28 S CA 2.861 61.038 58.200 -0.039 0.000 0.935 28 S CB 1.220 64.402 63.200 -0.030 0.000 0.809 28 S HN -0.824 7.308 8.310 0.007 0.183 0.510 29 F N 3.187 123.105 119.950 -0.053 0.000 2.234 29 F HA -0.126 4.397 4.527 -0.006 0.000 0.296 29 F C 1.204 177.043 175.800 0.066 0.000 1.089 29 F CA 4.005 61.999 58.000 -0.011 0.000 1.343 29 F CB 0.398 39.367 39.000 -0.052 0.000 1.040 29 F HN 0.240 8.557 8.300 0.202 0.104 0.498 30 R N -0.636 119.978 120.500 0.188 0.000 2.097 30 R HA -0.114 4.338 4.340 0.186 0.000 0.236 30 R C -0.193 175.972 176.300 -0.224 0.000 1.135 30 R CA 5.428 61.547 56.100 0.033 0.000 0.934 30 R CB -2.390 27.913 30.300 0.004 0.000 0.846 30 R HN 0.180 8.420 8.270 0.127 0.107 0.431 31 P HA -0.163 4.179 4.420 -0.131 0.000 0.217 31 P C 1.188 178.428 177.300 -0.100 0.000 1.150 31 P CA 2.615 65.640 63.100 -0.125 0.000 0.832 31 P CB -0.441 31.198 31.700 -0.101 0.000 0.787 32 L N -1.544 119.629 121.223 -0.083 0.000 1.976 32 L HA -0.324 4.011 4.340 -0.008 0.000 0.209 32 L C 2.076 178.977 176.870 0.051 0.000 1.071 32 L CA 2.990 57.811 54.840 -0.031 0.000 0.746 32 L CB -0.830 41.152 42.059 -0.129 0.000 0.890 32 L HN -0.713 7.450 8.230 -0.087 0.015 0.432 33 H N -1.988 117.126 119.070 0.074 0.000 2.457 33 H HA -0.283 4.319 4.556 0.076 0.000 0.294 33 H C 1.820 177.189 175.328 0.067 0.000 1.064 33 H CA 2.931 59.030 56.048 0.084 0.000 1.330 33 H CB -0.682 29.145 29.762 0.108 0.000 1.395 33 H HN 0.523 8.887 8.280 0.140 0.000 0.541 34 A N -0.496 122.055 122.820 -0.449 0.000 2.014 34 A HA -0.207 4.010 4.320 -0.171 0.000 0.218 34 A C 0.029 177.606 177.584 -0.011 0.000 1.163 34 A CA 2.011 53.897 52.037 -0.251 0.000 0.652 34 A CB -0.478 18.347 19.000 -0.292 0.000 0.808 34 A HN -0.274 7.496 8.150 -0.592 0.025 0.449 35 F N -2.703 117.180 119.950 -0.111 0.000 2.387 35 F HA -0.114 4.378 4.527 -0.057 0.000 0.294 35 F C 0.595 176.375 175.800 -0.033 0.000 1.093 35 F CA 1.597 59.559 58.000 -0.064 0.000 1.420 35 F CB 1.550 40.510 39.000 -0.067 0.000 1.086 35 F HN -0.710 7.532 8.300 0.116 0.128 0.531 36 L N -1.528 119.708 121.223 0.022 0.000 2.202 36 L HA -0.022 4.238 4.340 -0.133 0.000 0.205 36 L C -0.395 176.447 176.870 -0.047 0.000 1.083 36 L CA 1.636 56.456 54.840 -0.035 0.000 0.790 36 L CB 1.259 43.356 42.059 0.063 0.000 0.942 36 L HN -0.251 7.966 8.230 0.117 0.084 0.452 37 Q N -5.273 114.535 119.800 0.013 0.000 2.683 37 Q HA 0.212 4.543 4.340 -0.016 0.000 0.302 37 Q C -1.813 174.212 176.000 0.041 0.000 1.042 37 Q CA -1.367 54.451 55.803 0.025 0.000 0.773 37 Q CB 4.375 33.152 28.738 0.064 0.000 1.508 37 Q HN -0.152 8.035 8.270 0.055 0.117 0.459 38 G N -3.246 105.577 108.800 0.037 0.000 2.704 38 G HA2 -0.026 3.977 3.960 0.071 0.000 0.293 38 G HA3 -0.026 3.942 3.960 0.013 0.000 0.293 38 G C -1.765 173.157 174.900 0.036 0.000 1.421 38 G CA 0.216 45.340 45.100 0.040 0.000 0.870 38 G HN -0.297 8.008 8.290 0.025 0.000 0.492 39 E N -3.008 117.214 120.200 0.038 0.000 2.637 39 E HA -0.362 4.001 4.350 0.022 0.000 0.265 39 E C -1.467 175.145 176.600 0.020 0.000 1.073 39 E CA 0.377 56.791 56.400 0.023 0.000 0.778 39 E CB -1.551 28.155 29.700 0.011 0.000 1.362 39 E HN 0.289 8.677 8.360 0.047 0.000 0.413 40 C N -3.156 116.161 119.300 0.028 0.000 2.657 40 C HA -0.285 4.173 4.460 -0.004 0.000 0.404 40 C C -0.152 174.822 174.990 -0.026 0.000 1.291 40 C CA 0.236 59.250 59.018 -0.006 0.000 2.218 40 C CB 0.926 28.642 27.740 -0.040 0.000 2.687 40 C HN -0.304 7.939 8.230 0.060 0.022 0.634 41 E N 2.479 122.659 120.200 -0.033 0.000 2.338 41 E HA 0.068 4.641 4.350 -0.034 -0.244 0.272 41 E C 0.145 176.698 176.600 -0.078 0.000 1.029 41 E CA -0.154 56.225 56.400 -0.035 0.000 0.872 41 E CB 1.231 30.939 29.700 0.013 0.000 1.015 41 E HN -0.179 8.162 8.360 -0.031 0.000 0.417 42 M N 3.621 123.164 119.600 -0.096 0.000 2.808 42 M HA 0.253 4.682 4.480 -0.085 0.000 0.225 42 M C -1.513 174.717 176.300 -0.117 0.000 1.103 42 M CA -1.031 54.222 55.300 -0.079 0.000 0.982 42 M CB -0.062 32.542 32.600 0.007 0.000 1.314 42 M HN 0.015 8.231 8.290 -0.123 0.000 0.505 43 L N 5.297 126.462 121.223 -0.097 0.000 2.278 43 L HA 0.550 5.050 4.340 -0.166 -0.259 0.287 43 L C -2.405 174.457 176.870 -0.015 0.000 1.072 43 L CA -1.047 53.743 54.840 -0.083 0.000 0.819 43 L CB 1.153 43.184 42.059 -0.047 0.000 1.176 43 L HN -0.532 7.650 8.230 -0.080 0.000 0.435 44 A N 6.182 129.035 122.820 0.055 0.000 2.475 44 A HA 0.715 5.174 4.320 -0.007 -0.143 0.301 44 A C -2.425 175.188 177.584 0.049 0.000 1.059 44 A CA -1.946 50.128 52.037 0.061 0.000 0.710 44 A CB 4.192 23.272 19.000 0.133 0.000 1.288 44 A HN 0.880 9.083 8.150 0.089 0.000 0.408 45 A N 0.772 123.528 122.820 -0.107 0.000 2.354 45 A HA 0.184 4.460 4.320 -0.073 0.000 0.269 45 A C -0.977 176.627 177.584 0.033 0.000 1.109 45 A CA -0.621 51.289 52.037 -0.211 0.000 0.800 45 A CB 1.009 19.540 19.000 -0.782 0.000 1.045 45 A HN 0.200 8.244 8.150 -0.176 0.000 0.489 46 E N 0.669 120.994 120.200 0.209 0.000 2.195 46 E HA 0.386 4.944 4.350 0.346 0.000 0.271 46 E C -2.102 174.795 176.600 0.496 0.000 0.923 46 E CA -3.708 52.894 56.400 0.336 0.000 0.790 46 E CB 1.480 31.304 29.700 0.207 0.000 1.155 46 E HN -0.213 8.237 8.360 0.150 0.000 0.402 47 P HA 0.091 4.554 4.420 0.072 0.000 0.265 47 P C -1.755 175.629 177.300 0.140 0.000 1.222 47 P CA -1.293 61.903 63.100 0.161 0.000 0.767 47 P CB -0.636 31.079 31.700 0.026 0.000 0.801 48 P HA 0.060 4.562 4.420 0.137 0.000 0.329 48 P C 0.144 177.499 177.300 0.091 0.000 1.319 48 P CA -0.650 62.525 63.100 0.126 0.000 0.742 48 P CB 0.831 32.613 31.700 0.137 0.000 1.564 49 G N -2.211 106.649 108.800 0.099 0.000 2.613 49 G HA2 -0.198 3.806 3.960 0.072 0.000 0.199 49 G HA3 -0.198 3.814 3.960 0.086 0.000 0.199 49 G C -1.373 173.622 174.900 0.158 0.000 0.991 49 G CA -0.033 45.125 45.100 0.097 0.000 0.756 49 G HN 0.444 8.795 8.290 0.101 0.000 0.515 50 H N -0.658 118.435 119.070 0.038 0.000 3.099 50 H HA 0.075 4.648 4.556 0.030 0.000 0.342 50 H C -1.320 174.031 175.328 0.039 0.000 1.054 50 H CA -0.588 55.480 56.048 0.034 0.000 1.328 50 H CB 2.008 31.787 29.762 0.029 0.000 1.876 50 H HN -0.493 7.887 8.280 0.167 0.000 0.495 51 G N 4.430 113.073 108.800 -0.261 0.000 2.554 51 G HA2 -0.115 3.826 3.960 -0.032 0.000 0.238 51 G HA3 -0.115 3.747 3.960 -0.163 0.000 0.238 51 G C -0.978 173.910 174.900 -0.019 0.000 1.259 51 G CA 0.313 45.340 45.100 -0.122 0.000 0.843 51 G HN 0.348 8.339 8.290 -0.498 0.000 0.582 52 T N -2.051 112.523 114.554 0.033 0.000 3.425 52 T HA -0.062 4.343 4.350 0.092 0.000 0.225 52 T C 0.219 174.945 174.700 0.045 0.000 0.992 52 T CA 0.705 62.846 62.100 0.068 0.000 1.174 52 T CB 1.027 69.947 68.868 0.087 0.000 1.240 52 T HN -0.235 8.020 8.240 0.024 0.000 0.350 53 N N -0.165 118.560 118.700 0.042 0.000 3.400 53 N HA 0.027 4.783 4.740 0.027 0.000 0.246 53 N C -0.673 174.855 175.510 0.029 0.000 1.034 53 N CA 0.157 53.227 53.050 0.034 0.000 1.158 53 N CB 0.827 39.337 38.487 0.039 0.000 1.349 53 N HN 0.276 8.686 8.380 0.049 0.000 0.865 54 Q N -0.349 119.473 119.800 0.037 0.000 3.274 54 Q HA 0.371 4.728 4.340 0.027 0.000 0.303 54 Q C -2.125 173.900 176.000 0.043 0.000 1.005 54 Q CA -0.802 55.022 55.803 0.034 0.000 0.831 54 Q CB 3.016 31.774 28.738 0.033 0.000 1.538 54 Q HN 0.031 8.328 8.270 0.046 0.000 0.481 55 T N -0.455 114.123 114.554 0.041 0.000 2.952 55 T HA 0.418 4.804 4.350 0.059 0.000 0.305 55 T C 0.160 174.887 174.700 0.044 0.000 1.064 55 T CA -0.760 61.369 62.100 0.049 0.000 1.008 55 T CB 1.802 70.698 68.868 0.046 0.000 1.078 55 T HN 0.205 8.466 8.240 0.035 0.000 0.459 56 S N 7.208 122.937 115.700 0.049 0.000 2.331 56 S HA -0.256 4.235 4.470 0.035 0.000 0.208 56 S C 0.340 174.957 174.600 0.029 0.000 1.032 56 S CA 1.017 59.240 58.200 0.039 0.000 0.991 56 S CB 0.053 63.278 63.200 0.041 0.000 0.980 56 S HN 0.179 8.525 8.310 0.060 0.000 0.433 57 A N -0.256 122.585 122.820 0.035 0.000 2.739 57 A HA -0.255 4.091 4.320 0.044 0.000 0.296 57 A C -0.563 177.031 177.584 0.016 0.000 1.488 57 A CA 1.278 53.336 52.037 0.034 0.000 0.746 57 A CB -1.554 17.469 19.000 0.038 0.000 1.047 57 A HN 0.174 8.349 8.150 0.041 0.000 0.477 58 I N -10.074 110.504 120.570 0.013 0.000 3.980 58 I HA -0.623 3.573 4.170 0.024 -0.012 0.136 58 I C 1.197 177.272 176.117 -0.070 0.000 0.389 58 I CA 2.161 63.452 61.300 -0.014 0.000 1.252 58 I CB -2.367 35.618 38.000 -0.024 0.000 1.115 58 I HN -0.020 8.311 8.210 0.023 -0.107 0.198 59 E N -0.688 119.486 120.200 -0.043 0.000 2.516 59 E HA -0.252 4.050 4.350 -0.081 0.000 0.199 59 E C 0.703 177.279 176.600 -0.040 0.000 1.069 59 E CA 2.289 58.659 56.400 -0.051 0.000 0.876 59 E CB -0.540 29.145 29.700 -0.025 0.000 0.843 59 E HN -0.247 7.961 8.360 -0.017 0.141 0.530 60 D N -1.581 118.805 120.400 -0.023 0.000 2.178 60 D HA -0.257 4.392 4.640 0.016 0.000 0.201 60 D C 1.827 178.108 176.300 -0.031 0.000 0.980 60 D CA 2.999 56.998 54.000 -0.001 0.000 0.842 60 D CB -0.856 39.958 40.800 0.023 0.000 0.948 60 D HN 0.385 8.658 8.370 -0.017 0.086 0.472 61 L N 0.090 121.263 121.223 -0.084 0.000 2.017 61 L HA -0.350 3.917 4.340 -0.121 0.000 0.208 61 L C 1.323 178.121 176.870 -0.120 0.000 1.073 61 L CA 3.334 58.092 54.840 -0.137 0.000 0.745 61 L CB -0.082 41.815 42.059 -0.270 0.000 0.894 61 L HN -0.703 7.451 8.230 -0.097 0.018 0.432 62 E N -2.214 117.922 120.200 -0.106 0.000 2.106 62 E HA -0.408 3.892 4.350 -0.083 0.000 0.192 62 E C 2.302 178.883 176.600 -0.031 0.000 0.984 62 E CA 2.776 59.132 56.400 -0.073 0.000 0.806 62 E CB -0.457 29.202 29.700 -0.068 0.000 0.750 62 E HN -0.013 8.276 8.360 -0.117 0.000 0.458 63 E N 0.769 120.961 120.200 -0.013 0.000 2.085 63 E HA -0.299 4.065 4.350 0.023 0.000 0.194 63 E C 2.381 179.027 176.600 0.076 0.000 0.994 63 E CA 3.083 59.500 56.400 0.028 0.000 0.801 63 E CB -0.442 29.281 29.700 0.039 0.000 0.743 63 E HN -0.185 8.071 8.360 -0.026 0.089 0.453 64 L N -2.807 118.454 121.223 0.063 0.000 2.017 64 L HA -0.345 4.207 4.340 0.353 0.000 0.208 64 L C 2.312 179.256 176.870 0.124 0.000 1.073 64 L CA 3.155 58.067 54.840 0.119 0.000 0.745 64 L CB -0.213 41.763 42.059 -0.139 0.000 0.894 64 L HN 0.044 8.272 8.230 0.007 0.006 0.432 65 T N -2.229 112.329 114.554 0.008 0.000 2.951 65 T HA -0.273 4.085 4.350 0.014 0.000 0.268 65 T C 0.932 175.658 174.700 0.042 0.000 1.073 65 T CA 3.887 65.992 62.100 0.008 0.000 1.134 65 T CB -0.476 68.367 68.868 -0.041 0.000 0.884 65 T HN -0.567 7.652 8.240 -0.036 0.000 0.479 66 D N 0.133 120.557 120.400 0.040 0.000 2.213 66 D HA -0.131 4.520 4.640 0.019 0.000 0.205 66 D C 1.284 177.607 176.300 0.038 0.000 0.961 66 D CA 2.674 56.692 54.000 0.029 0.000 0.853 66 D CB 0.819 41.627 40.800 0.013 0.000 0.967 66 D HN -0.274 7.991 8.370 0.035 0.126 0.496 67 L N -0.975 120.287 121.223 0.065 0.000 2.130 67 L HA -0.120 4.207 4.340 -0.023 0.000 0.200 67 L C 1.980 178.836 176.870 -0.024 0.000 1.075 67 L CA 2.305 57.147 54.840 0.003 0.000 0.768 67 L CB 0.106 42.151 42.059 -0.023 0.000 0.933 67 L HN -0.061 8.132 8.230 0.106 0.101 0.451 68 Y N -2.133 118.187 120.300 0.034 0.000 2.220 68 Y HA -0.304 4.279 4.550 0.054 0.000 0.291 68 Y C 1.263 177.178 175.900 0.025 0.000 1.129 68 Y CA 3.226 61.354 58.100 0.048 0.000 1.161 68 Y CB 0.022 38.532 38.460 0.083 0.000 0.997 68 Y HN -0.349 8.170 8.280 0.399 0.000 0.522 69 K N -2.740 117.760 120.400 0.166 0.000 2.994 69 K HA 0.127 4.498 4.320 0.085 0.000 0.231 69 K C 0.355 176.984 176.600 0.047 0.000 1.174 69 K CA -1.141 55.198 56.287 0.085 0.000 1.221 69 K CB -1.922 30.611 32.500 0.056 0.000 1.166 69 K HN -0.542 7.817 8.250 0.182 0.000 0.453 70 Q N 0.150 119.972 119.800 0.037 0.000 2.170 70 Q HA -0.323 4.112 4.340 0.014 -0.087 0.203 70 Q C 1.576 177.583 176.000 0.012 0.000 0.976 70 Q CA 3.106 58.918 55.803 0.015 0.000 0.858 70 Q CB -0.185 28.553 28.738 -0.001 0.000 0.907 70 Q HN -0.418 7.785 8.270 0.042 0.093 0.433 71 E N -1.451 118.759 120.200 0.016 0.000 2.085 71 E HA -0.204 4.151 4.350 0.008 0.000 0.194 71 E C -0.243 176.363 176.600 0.011 0.000 0.994 71 E CA 1.666 58.074 56.400 0.012 0.000 0.801 71 E CB 0.434 30.143 29.700 0.016 0.000 0.743 71 E HN 0.213 8.565 8.360 0.023 0.022 0.453 72 L N -7.735 113.496 121.223 0.013 0.000 2.643 72 L HA 0.243 4.587 4.340 0.006 0.000 0.257 72 L C -2.072 174.803 176.870 0.009 0.000 0.922 72 L CA -0.332 54.513 54.840 0.009 0.000 0.909 72 L CB 2.197 44.260 42.059 0.007 0.000 1.424 72 L HN -0.969 7.184 8.230 0.019 0.088 0.422 73 N N 1.850 120.552 118.700 0.003 0.000 2.485 73 N HA 0.109 4.849 4.740 -0.000 0.000 0.243 73 N C -0.420 175.086 175.510 -0.006 0.000 0.987 73 N CA -0.338 52.710 53.050 -0.002 0.000 0.940 73 N CB -0.187 38.297 38.487 -0.006 0.000 1.122 73 N HN -0.004 8.377 8.380 0.001 0.000 0.509 74 L N 5.530 126.748 121.223 -0.008 0.000 2.056 74 L HA 0.003 4.339 4.340 -0.007 0.000 0.202 74 L C 0.344 177.204 176.870 -0.015 0.000 1.086 74 L CA 1.210 56.044 54.840 -0.009 0.000 0.758 74 L CB 0.480 42.534 42.059 -0.008 0.000 0.912 74 L HN 0.535 8.761 8.230 -0.007 0.000 0.446 75 R N -2.975 117.511 120.500 -0.023 0.000 2.633 75 R HA 0.216 4.539 4.340 -0.029 0.000 0.256 75 R C -2.571 173.702 176.300 -0.045 0.000 1.131 75 R CA -1.540 54.543 56.100 -0.030 0.000 0.994 75 R CB 2.305 32.591 30.300 -0.023 0.000 1.261 75 R HN -0.346 7.910 8.270 -0.024 0.000 0.446 76 P HA 0.126 4.491 4.420 -0.092 0.000 0.302 76 P C -1.248 176.006 177.300 -0.076 0.000 1.301 76 P CA -0.742 62.309 63.100 -0.082 0.000 0.745 76 P CB 0.985 32.626 31.700 -0.098 0.000 1.331 77 D N 0.195 120.542 120.400 -0.088 0.000 2.399 77 D HA -0.026 4.580 4.640 -0.056 0.000 0.241 77 D C 0.330 176.613 176.300 -0.029 0.000 1.133 77 D CA 1.048 55.014 54.000 -0.057 0.000 0.890 77 D CB 1.091 41.863 40.800 -0.046 0.000 1.201 77 D HN 0.196 8.498 8.370 -0.114 0.000 0.432 78 R N 1.644 122.137 120.500 -0.012 0.000 2.062 78 R HA 0.171 4.508 4.340 -0.006 0.000 0.218 78 R C -1.549 174.769 176.300 0.030 0.000 1.161 78 R CA 1.668 57.768 56.100 -0.000 0.000 0.994 78 R CB -0.520 29.773 30.300 -0.010 0.000 0.888 78 R HN 0.155 8.415 8.270 -0.018 0.000 0.442 79 P HA 0.078 4.510 4.420 0.019 0.000 0.252 79 P C -1.615 175.718 177.300 0.054 0.000 1.727 79 P CA -0.604 62.510 63.100 0.023 0.000 1.134 79 P CB -1.312 30.385 31.700 -0.006 0.000 1.876 80 F N 6.764 126.662 119.950 -0.085 0.000 2.410 80 F HA 0.051 4.514 4.527 -0.106 0.000 0.348 80 F C -1.342 174.368 175.800 -0.150 0.000 1.106 80 F CA -0.413 57.522 58.000 -0.109 0.000 1.163 80 F CB 2.019 40.955 39.000 -0.107 0.000 1.129 80 F HN -0.418 7.962 8.300 0.180 0.028 0.516 81 V N 3.586 122.978 119.914 -0.870 0.000 2.531 81 V HA 0.303 3.971 4.120 -0.754 0.000 0.301 81 V C -2.707 172.675 176.094 -1.186 0.000 1.034 81 V CA -2.510 59.263 62.300 -0.878 0.000 0.865 81 V CB 2.523 34.017 31.823 -0.548 0.000 0.995 81 V HN 0.137 7.811 8.190 -0.860 0.000 0.424 82 L N 6.675 127.242 121.223 -1.093 0.000 2.298 82 L HA 0.456 4.496 4.340 -0.693 -0.116 0.284 82 L C -1.267 175.143 176.870 -0.766 0.000 1.013 82 L CA -1.002 53.361 54.840 -0.794 0.000 0.824 82 L CB 1.661 43.411 42.059 -0.516 0.000 1.221 82 L HN 0.149 7.810 8.230 -0.947 0.000 0.418 83 F N 6.060 125.844 119.950 -0.278 0.000 2.557 83 F HA 0.525 4.915 4.527 -0.227 0.000 0.336 83 F C -0.544 175.145 175.800 -0.185 0.000 1.058 83 F CA -1.507 56.350 58.000 -0.238 0.000 0.988 83 F CB 3.428 42.263 39.000 -0.275 0.000 1.275 83 F HN 1.046 9.126 8.300 -0.194 0.104 0.488 84 G N -0.266 108.563 108.800 0.047 0.000 2.498 84 G HA2 0.129 4.204 3.960 0.034 0.000 0.181 84 G HA3 0.129 4.057 3.960 -0.053 0.000 0.181 84 G C -1.940 172.986 174.900 0.044 0.000 1.169 84 G CA 0.639 45.741 45.100 0.002 0.000 0.992 84 G HN 0.103 8.434 8.290 0.069 0.000 0.490 85 H N -1.657 117.479 119.070 0.110 0.000 2.961 85 H HA 0.381 5.017 4.556 0.133 0.000 0.371 85 H C -1.000 174.435 175.328 0.178 0.000 1.190 85 H CA -1.819 54.333 56.048 0.173 0.000 1.138 85 H CB 2.302 32.249 29.762 0.308 0.000 1.816 85 H HN 0.168 8.261 8.280 -0.311 0.000 0.551 86 S N 1.118 117.014 115.700 0.326 0.000 2.533 86 S HA 0.039 4.573 4.470 0.107 0.000 0.282 86 S C -0.488 174.299 174.600 0.310 0.000 1.304 86 S CA 0.560 58.895 58.200 0.226 0.000 1.063 86 S CB 0.625 63.950 63.200 0.209 0.000 0.881 86 S HN 0.095 8.642 8.310 0.395 0.000 0.493 87 M N 3.677 123.407 119.600 0.218 0.000 1.425 87 M HA 0.046 4.688 4.480 0.271 0.000 0.168 87 M C -1.395 175.060 176.300 0.259 0.000 1.303 87 M CA 0.983 56.438 55.300 0.257 0.000 0.640 87 M CB 1.437 34.212 32.600 0.290 0.000 1.660 87 M HN 0.105 8.471 8.290 0.127 0.000 0.639 88 G N -0.326 108.640 108.800 0.276 0.000 4.154 88 G HA2 -0.041 4.387 3.960 0.780 0.000 0.228 88 G HA3 -0.041 4.141 3.960 0.370 0.000 0.228 88 G C -0.827 174.306 174.900 0.388 0.000 2.157 88 G CA 0.247 45.620 45.100 0.454 0.000 1.088 88 G HN -0.081 8.336 8.290 0.212 0.000 0.506 89 G N 1.258 110.259 108.800 0.335 0.000 3.197 89 G HA2 0.032 4.124 3.960 0.220 0.000 0.257 89 G HA3 0.032 4.129 3.960 0.228 0.000 0.257 89 G C -0.005 175.109 174.900 0.357 0.000 0.835 89 G CA -0.964 44.301 45.100 0.276 0.000 2.001 89 G HN 0.298 8.749 8.290 0.269 0.000 0.625 90 M N 1.210 121.000 119.600 0.317 0.000 2.296 90 M HA -0.166 4.763 4.480 0.455 -0.177 0.265 90 M C 1.384 177.809 176.300 0.209 0.000 1.064 90 M CA 3.234 58.684 55.300 0.251 0.000 1.109 90 M CB -0.063 32.482 32.600 -0.092 0.000 1.396 90 M HN -0.093 8.275 8.290 0.239 0.066 0.430 91 I N 1.023 121.687 120.570 0.157 0.000 2.233 91 I HA -0.309 3.921 4.170 0.100 0.000 0.243 91 I C 1.382 177.586 176.117 0.144 0.000 1.093 91 I CA 4.230 65.604 61.300 0.122 0.000 1.380 91 I CB -1.282 36.772 38.000 0.091 0.000 1.067 91 I HN 0.051 8.323 8.210 0.148 0.026 0.413 92 T N 2.489 117.143 114.554 0.168 0.000 2.746 92 T HA -0.330 4.080 4.350 0.101 0.000 0.267 92 T C 1.756 176.552 174.700 0.161 0.000 1.039 92 T CA 4.960 67.146 62.100 0.143 0.000 1.142 92 T CB -0.593 68.357 68.868 0.137 0.000 0.866 92 T HN -0.347 8.001 8.240 0.179 0.000 0.444 93 F N 2.616 122.635 119.950 0.115 0.000 2.134 93 F HA -0.456 4.141 4.527 0.117 0.000 0.299 93 F C 1.153 177.016 175.800 0.105 0.000 1.097 93 F CA 4.185 62.262 58.000 0.128 0.000 1.264 93 F CB 0.166 39.280 39.000 0.190 0.000 1.001 93 F HN 0.304 8.853 8.300 0.414 0.000 0.479 94 R N 0.112 120.791 120.500 0.297 0.000 2.083 94 R HA -0.341 4.299 4.340 0.202 -0.179 0.237 94 R C 2.342 178.692 176.300 0.083 0.000 1.137 94 R CA 3.295 59.500 56.100 0.175 0.000 0.951 94 R CB -0.142 30.231 30.300 0.122 0.000 0.851 94 R HN -0.174 8.099 8.270 0.310 0.182 0.434 95 L N -1.634 119.626 121.223 0.062 0.000 2.017 95 L HA -0.283 4.062 4.340 0.009 0.000 0.208 95 L C 1.877 178.731 176.870 -0.027 0.000 1.073 95 L CA 2.814 57.663 54.840 0.014 0.000 0.745 95 L CB -1.142 40.927 42.059 0.017 0.000 0.894 95 L HN -0.274 7.938 8.230 0.091 0.073 0.432 96 A N -1.004 121.791 122.820 -0.042 0.000 1.835 96 A HA -0.420 3.845 4.320 -0.092 0.000 0.215 96 A C 2.121 179.657 177.584 -0.080 0.000 1.199 96 A CA 3.252 55.242 52.037 -0.077 0.000 0.615 96 A CB -0.956 17.980 19.000 -0.107 0.000 0.838 96 A HN 0.221 8.359 8.150 -0.020 0.000 0.444 97 Q N -1.529 118.214 119.800 -0.095 0.000 2.135 97 Q HA -0.389 3.951 4.340 -0.001 0.000 0.204 97 Q C 2.476 178.482 176.000 0.011 0.000 0.981 97 Q CA 3.188 58.982 55.803 -0.016 0.000 0.856 97 Q CB -0.019 28.754 28.738 0.058 0.000 0.902 97 Q HN 0.045 8.223 8.270 -0.153 0.000 0.425 98 K N 0.215 120.618 120.400 0.005 0.000 2.025 98 K HA -0.258 4.069 4.320 0.013 0.000 0.207 98 K C 2.376 178.965 176.600 -0.017 0.000 1.049 98 K CA 3.228 59.516 56.287 0.002 0.000 0.933 98 K CB -0.195 32.308 32.500 0.004 0.000 0.714 98 K HN -0.398 7.843 8.250 0.008 0.013 0.438 99 L N -1.883 119.309 121.223 -0.052 0.000 2.131 99 L HA -0.404 3.895 4.340 -0.069 0.000 0.210 99 L C 1.835 178.654 176.870 -0.083 0.000 1.092 99 L CA 2.962 57.748 54.840 -0.089 0.000 0.759 99 L CB -0.071 41.893 42.059 -0.159 0.000 0.903 99 L HN -0.107 8.089 8.230 -0.057 0.000 0.435 100 E N -2.180 117.983 120.200 -0.062 0.000 2.028 100 E HA -0.511 3.807 4.350 -0.053 0.000 0.191 100 E C 2.482 179.106 176.600 0.040 0.000 0.988 100 E CA 3.262 59.653 56.400 -0.016 0.000 0.799 100 E CB -0.091 29.632 29.700 0.039 0.000 0.755 100 E HN 0.124 8.435 8.360 -0.058 0.015 0.447 101 R N -2.699 117.839 120.500 0.064 0.000 2.120 101 R HA -0.285 4.159 4.340 0.173 0.000 0.234 101 R C 1.438 177.788 176.300 0.084 0.000 1.123 101 R CA 2.555 58.721 56.100 0.110 0.000 0.975 101 R CB -0.038 30.321 30.300 0.099 0.000 0.866 101 R HN -0.257 8.040 8.270 0.046 0.000 0.446 102 E N -2.357 117.865 120.200 0.036 0.000 2.474 102 E HA -0.037 4.331 4.350 0.029 0.000 0.194 102 E C 0.760 177.368 176.600 0.013 0.000 1.041 102 E CA 0.352 56.764 56.400 0.020 0.000 0.874 102 E CB 0.028 29.727 29.700 -0.001 0.000 0.914 102 E HN -0.389 7.964 8.360 0.018 0.018 0.498 103 G N 0.135 108.938 108.800 0.006 0.000 2.570 103 G HA2 0.024 3.974 3.960 -0.017 0.000 0.209 103 G HA3 0.024 4.022 3.960 -0.041 -0.063 0.209 103 G C -0.703 174.208 174.900 0.018 0.000 1.168 103 G CA 0.188 45.281 45.100 -0.011 0.000 0.831 103 G HN -0.355 7.760 8.290 0.010 0.181 0.564 104 I N -0.979 119.617 120.570 0.042 0.000 2.590 104 I HA 0.138 4.356 4.170 0.080 0.000 0.283 104 I C -1.961 174.223 176.117 0.112 0.000 1.154 104 I CA -0.771 60.567 61.300 0.063 0.000 1.067 104 I CB 1.445 39.456 38.000 0.019 0.000 1.243 104 I HN -0.063 8.065 8.210 0.041 0.106 0.451 105 F N 9.900 129.864 119.950 0.024 0.000 2.084 105 F HA 0.002 4.559 4.527 0.051 0.000 0.296 105 F C -0.936 174.890 175.800 0.043 0.000 1.111 105 F CA 1.804 59.829 58.000 0.041 0.000 1.224 105 F CB -1.830 37.196 39.000 0.043 0.000 0.991 105 F HN 0.268 8.732 8.300 0.275 0.000 0.471 106 P HA -0.038 3.890 4.420 -0.820 0.000 0.231 106 P C -1.471 175.687 177.300 -0.237 0.000 1.756 106 P CA -0.532 62.277 63.100 -0.484 0.000 0.990 106 P CB -1.900 29.656 31.700 -0.239 0.000 1.973 107 Q N 2.088 121.768 119.800 -0.200 0.000 2.364 107 Q HA -0.066 4.247 4.340 -0.045 0.000 0.267 107 Q C 0.532 176.496 176.000 -0.061 0.000 0.999 107 Q CA 0.307 56.068 55.803 -0.071 0.000 0.886 107 Q CB 0.772 29.511 28.738 0.003 0.000 1.243 107 Q HN 0.044 8.070 8.270 -0.280 0.075 0.415 108 A N 4.269 127.070 122.820 -0.032 0.000 1.993 108 A HA 0.280 4.579 4.320 -0.036 0.000 0.207 108 A C -1.023 176.553 177.584 -0.014 0.000 1.224 108 A CA 0.595 52.615 52.037 -0.029 0.000 0.749 108 A CB 1.115 20.095 19.000 -0.035 0.000 0.884 108 A HN 0.312 8.449 8.150 -0.021 0.000 0.467 109 V N -1.505 118.404 119.914 -0.008 0.000 2.357 109 V HA 0.562 4.849 4.120 -0.032 -0.186 0.281 109 V C -1.117 174.971 176.094 -0.009 0.000 1.015 109 V CA -1.018 61.269 62.300 -0.023 0.000 0.827 109 V CB 0.372 32.166 31.823 -0.048 0.000 1.018 109 V HN -0.482 7.974 8.190 -0.004 -0.268 0.432 110 I N 2.104 122.694 120.570 0.034 0.000 2.530 110 I HA 0.551 4.732 4.170 0.018 0.000 0.297 110 I C -1.968 174.140 176.117 -0.015 0.000 1.011 110 I CA -1.993 59.342 61.300 0.058 0.000 1.107 110 I CB 3.448 41.572 38.000 0.207 0.000 1.285 110 I HN 0.574 8.821 8.210 0.062 0.000 0.436 111 I N 4.167 124.687 120.570 -0.082 0.000 2.466 111 I HA 0.380 4.581 4.170 -0.143 -0.117 0.289 111 I C -1.332 174.733 176.117 -0.086 0.000 1.026 111 I CA -1.635 59.575 61.300 -0.150 0.000 1.078 111 I CB 2.733 40.549 38.000 -0.307 0.000 1.249 111 I HN 0.277 8.442 8.210 -0.074 0.000 0.429 112 S N 10.383 126.009 115.700 -0.123 0.000 2.464 112 S HA 0.322 4.836 4.470 0.074 0.000 0.313 112 S C -1.883 172.732 174.600 0.025 0.000 1.078 112 S CA -0.815 57.297 58.200 -0.147 0.000 1.096 112 S CB -0.203 62.660 63.200 -0.562 0.000 1.032 112 S HN 0.758 8.994 8.310 -0.122 0.000 0.498 113 A N 4.954 127.888 122.820 0.189 0.000 2.320 113 A HA 0.907 5.458 4.320 0.028 -0.214 0.334 113 A C -0.224 177.312 177.584 -0.080 0.000 1.147 113 A CA -1.723 50.366 52.037 0.087 0.000 0.820 113 A CB 2.159 21.217 19.000 0.097 0.000 1.218 113 A HN -0.225 8.226 8.150 0.502 0.000 0.482 114 I N -3.476 116.992 120.570 -0.169 0.000 6.214 114 I HA -0.485 3.528 4.170 -0.260 0.000 0.126 114 I C -1.085 174.618 176.117 -0.689 0.000 1.821 114 I CA 0.583 61.639 61.300 -0.406 0.000 2.045 114 I CB -2.724 34.976 38.000 -0.500 0.000 3.452 114 I HN 0.101 8.271 8.210 -0.067 0.000 0.172 115 Q N -0.563 119.004 119.800 -0.388 0.000 2.271 115 Q HA 0.166 4.530 4.340 -0.426 -0.280 0.273 115 Q C -0.947 174.881 176.000 -0.288 0.000 1.051 115 Q CA -1.339 54.259 55.803 -0.341 0.000 0.901 115 Q CB 0.336 28.972 28.738 -0.171 0.000 1.174 115 Q HN -0.780 7.355 8.270 -0.225 0.000 0.385 116 P HA 0.107 4.560 4.420 0.055 0.000 0.271 116 P C -1.324 175.915 177.300 -0.102 0.000 1.218 116 P CA -1.386 61.684 63.100 -0.050 0.000 0.780 116 P CB -0.249 31.476 31.700 0.040 0.000 0.901 117 P HA 0.053 4.454 4.420 -0.032 0.000 0.253 117 P C -1.384 175.952 177.300 0.061 0.000 1.281 117 P CA 0.595 63.702 63.100 0.011 0.000 0.792 117 P CB 0.124 31.846 31.700 0.037 0.000 1.193 118 H N -4.728 114.355 119.070 0.023 0.000 2.679 118 H HA 0.218 4.786 4.556 0.021 0.000 0.367 118 H C -2.249 173.086 175.328 0.012 0.000 1.162 118 H CA -1.343 54.718 56.048 0.021 0.000 1.181 118 H CB 1.989 31.764 29.762 0.022 0.000 1.693 118 H HN -0.819 7.244 8.280 -0.170 0.115 0.538 119 I N -1.447 119.187 120.570 0.107 0.000 4.393 119 I HA 0.144 4.270 4.170 -0.074 0.000 0.229 119 I C -0.449 175.754 176.117 0.143 0.000 1.468 119 I CA -1.750 59.576 61.300 0.042 0.000 1.183 119 I CB 1.538 39.572 38.000 0.055 0.000 1.583 119 I HN -0.066 8.254 8.210 0.183 0.000 0.614 120 Q N 1.279 121.131 119.800 0.088 0.000 3.345 120 Q HA 0.070 4.486 4.340 0.127 0.000 0.204 120 Q C -1.108 174.931 176.000 0.066 0.000 0.847 120 Q CA -0.474 55.383 55.803 0.090 0.000 0.780 120 Q CB 1.872 30.644 28.738 0.056 0.000 1.426 120 Q HN 0.075 8.379 8.270 0.057 0.000 0.460 121 R N 1.312 121.869 120.500 0.095 0.000 2.884 121 R HA -0.486 4.088 4.340 0.114 -0.165 0.251 121 R C -1.530 174.795 176.300 0.043 0.000 0.870 121 R CA 0.937 57.082 56.100 0.075 0.000 0.647 121 R CB -2.778 27.546 30.300 0.040 0.000 1.415 121 R HN 0.093 8.441 8.270 0.130 0.000 0.513 122 K N 0.070 120.505 120.400 0.058 0.000 2.443 122 K HA 0.266 4.606 4.320 0.034 0.000 0.252 122 K C -0.796 175.842 176.600 0.064 0.000 0.933 122 K CA -1.821 54.496 56.287 0.049 0.000 0.792 122 K CB 2.443 34.970 32.500 0.046 0.000 1.185 122 K HN 0.056 8.936 8.250 0.084 -0.579 0.425 123 K N 4.122 124.555 120.400 0.055 0.000 2.262 123 K HA 0.071 4.436 4.320 0.076 0.000 0.282 123 K C -1.703 174.947 176.600 0.083 0.000 1.066 123 K CA -0.336 55.990 56.287 0.066 0.000 0.901 123 K CB -0.631 31.898 32.500 0.047 0.000 1.089 123 K HN 0.220 8.497 8.250 0.045 0.000 0.476 124 V N 4.166 124.142 119.914 0.104 0.000 2.841 124 V HA 0.203 4.384 4.120 0.103 0.000 0.310 124 V C -0.008 176.165 176.094 0.132 0.000 1.090 124 V CA -1.451 60.919 62.300 0.117 0.000 0.930 124 V CB 4.235 36.133 31.823 0.126 0.000 1.014 124 V HN 0.171 8.430 8.190 0.114 0.000 0.425 125 S N 3.955 119.729 115.700 0.124 0.000 2.859 125 S HA -0.017 4.513 4.470 0.100 0.000 0.245 125 S C -0.185 174.502 174.600 0.146 0.000 1.008 125 S CA -0.114 58.154 58.200 0.114 0.000 1.089 125 S CB -0.458 62.797 63.200 0.092 0.000 0.798 125 S HN 0.344 8.723 8.310 0.114 0.000 0.477 126 H N 1.668 120.772 119.070 0.057 0.000 2.268 126 H HA -0.110 4.473 4.556 0.046 0.000 0.304 126 H C -0.956 174.397 175.328 0.042 0.000 1.064 126 H CA 1.697 57.773 56.048 0.048 0.000 1.316 126 H CB 0.524 30.313 29.762 0.044 0.000 1.386 126 H HN -0.003 8.285 8.280 0.240 0.136 0.496 127 L N -5.051 116.048 121.223 -0.207 0.000 2.424 127 L HA 0.510 4.733 4.340 -0.195 0.000 0.258 127 L C -1.319 175.505 176.870 -0.076 0.000 0.995 127 L CA -3.311 51.377 54.840 -0.253 0.000 0.821 127 L CB 2.157 43.938 42.059 -0.464 0.000 1.383 127 L HN -0.361 7.855 8.230 -0.023 0.000 0.410 128 P HA -0.067 4.379 4.420 0.044 0.000 0.222 128 P C -0.482 176.784 177.300 -0.057 0.000 1.147 128 P CA 1.740 64.823 63.100 -0.028 0.000 0.790 128 P CB 0.359 32.014 31.700 -0.075 0.000 0.780 129 D N -4.452 115.878 120.400 -0.117 0.000 2.369 129 D HA 0.121 4.540 4.640 -0.369 0.000 0.211 129 D C 0.621 176.980 176.300 0.098 0.000 1.077 129 D CA -0.269 53.646 54.000 -0.141 0.000 0.842 129 D CB 0.044 40.720 40.800 -0.207 0.000 0.947 129 D HN -0.043 8.204 8.370 -0.125 0.047 0.509 130 D N 1.386 121.840 120.400 0.091 0.000 2.078 130 D HA -0.353 4.369 4.640 0.138 0.000 0.193 130 D C 1.305 177.737 176.300 0.221 0.000 0.990 130 D CA 3.698 57.788 54.000 0.149 0.000 0.827 130 D CB 0.613 41.509 40.800 0.161 0.000 0.975 130 D HN -0.234 7.946 8.370 0.028 0.207 0.451 131 Q N -3.678 116.276 119.800 0.256 0.000 2.488 131 Q HA -0.125 4.339 4.340 0.206 0.000 0.211 131 Q C 2.058 178.250 176.000 0.320 0.000 0.967 131 Q CA 1.916 57.867 55.803 0.247 0.000 0.926 131 Q CB -0.620 28.225 28.738 0.178 0.000 0.992 131 Q HN -0.195 8.223 8.270 0.248 0.000 0.506 132 F N 0.245 120.273 119.950 0.129 0.000 2.074 132 F HA -0.159 4.480 4.527 0.186 0.000 0.290 132 F C 1.774 177.575 175.800 0.001 0.000 1.118 132 F CA 2.834 60.896 58.000 0.102 0.000 1.199 132 F CB 0.625 39.656 39.000 0.053 0.000 1.012 132 F HN -0.851 7.564 8.300 0.537 0.207 0.472 133 L N -4.811 116.544 121.223 0.220 0.000 2.217 133 L HA -0.305 4.061 4.340 0.043 0.000 0.211 133 L C 1.447 178.357 176.870 0.066 0.000 1.107 133 L CA 2.688 57.586 54.840 0.096 0.000 0.783 133 L CB -0.806 41.317 42.059 0.107 0.000 0.919 133 L HN -0.704 7.694 8.230 0.280 0.000 0.442 134 D N 0.278 120.753 120.400 0.125 0.000 2.137 134 D HA -0.370 4.345 4.640 0.124 0.000 0.189 134 D C 1.597 177.974 176.300 0.128 0.000 0.998 134 D CA 3.625 57.708 54.000 0.137 0.000 0.839 134 D CB 0.204 41.107 40.800 0.172 0.000 0.962 134 D HN -0.196 8.243 8.370 0.175 0.036 0.446 135 H N -5.601 113.493 119.070 0.040 0.000 2.539 135 H HA 0.060 4.631 4.556 0.026 0.000 0.269 135 H C 0.783 176.113 175.328 0.004 0.000 0.980 135 H CA 0.859 56.916 56.048 0.013 0.000 1.152 135 H CB 0.122 29.874 29.762 -0.017 0.000 1.407 135 H HN -0.550 7.879 8.280 0.248 0.000 0.564 136 I N -0.137 120.208 120.570 -0.375 0.000 2.716 136 I HA -0.203 3.728 4.170 -0.397 0.000 0.259 136 I C -0.259 175.780 176.117 -0.130 0.000 1.172 136 I CA -0.595 60.520 61.300 -0.309 0.000 1.478 136 I CB 0.703 38.566 38.000 -0.228 0.000 1.104 136 I HN -0.818 7.045 8.210 -0.245 0.200 0.439 137 I N -2.702 117.828 120.570 -0.066 0.000 3.775 137 I HA -0.488 3.685 4.170 0.005 0.000 0.126 137 I C -1.226 174.836 176.117 -0.090 0.000 1.037 137 I CA 0.968 62.225 61.300 -0.072 0.000 2.738 137 I CB -2.991 34.910 38.000 -0.166 0.000 1.374 137 I HN -0.643 7.522 8.210 -0.037 0.024 0.342 138 Q N 0.726 120.506 119.800 -0.033 0.000 2.599 138 Q HA 0.116 4.431 4.340 -0.042 0.000 0.229 138 Q C 0.769 176.782 176.000 0.021 0.000 0.800 138 Q CA -0.066 55.726 55.803 -0.018 0.000 0.937 138 Q CB 2.442 31.175 28.738 -0.009 0.000 1.285 138 Q HN 0.277 8.545 8.270 -0.003 0.000 0.600 139 L N -6.596 114.655 121.223 0.048 0.000 4.813 139 L HA -0.358 4.029 4.340 0.079 0.000 0.434 139 L C 0.070 176.997 176.870 0.095 0.000 1.106 139 L CA 0.790 55.669 54.840 0.066 0.000 0.991 139 L CB -2.198 39.891 42.059 0.050 0.000 2.005 139 L HN 0.327 8.584 8.230 0.045 0.000 0.817 140 G N -6.340 102.522 108.800 0.103 0.000 2.211 140 G HA2 -0.173 3.870 3.960 0.138 0.000 0.201 140 G HA3 -0.173 3.933 3.960 0.243 0.000 0.201 140 G C -0.991 173.966 174.900 0.095 0.000 0.997 140 G CA -0.511 44.677 45.100 0.148 0.000 0.652 140 G HN -0.066 8.183 8.290 0.070 0.083 0.500 141 G N -0.695 108.138 108.800 0.055 0.000 3.265 141 G HA2 -0.125 3.850 3.960 0.024 0.000 0.236 141 G HA3 -0.125 3.860 3.960 0.042 0.000 0.236 141 G C -2.479 172.429 174.900 0.012 0.000 3.888 141 G CA 0.268 45.388 45.100 0.033 0.000 0.423 141 G HN -0.403 7.739 8.290 0.046 0.176 0.303 142 M N 4.233 123.827 119.600 -0.010 0.000 1.999 142 M HA 0.439 4.906 4.480 -0.022 0.000 0.299 142 M C -1.819 174.448 176.300 -0.054 0.000 0.900 142 M CA -3.057 52.222 55.300 -0.036 0.000 0.904 142 M CB 1.942 34.502 32.600 -0.067 0.000 1.477 142 M HN 0.176 8.821 8.290 -0.012 -0.362 0.403 143 P HA 0.146 4.539 4.420 -0.044 0.000 0.257 143 P C -0.580 176.683 177.300 -0.061 0.000 1.325 143 P CA 0.222 63.296 63.100 -0.045 0.000 0.850 143 P CB -0.208 31.474 31.700 -0.028 0.000 1.324 144 A N 0.384 123.153 122.820 -0.085 0.000 2.840 144 A HA 0.115 4.383 4.320 -0.086 0.000 0.269 144 A C -0.147 177.365 177.584 -0.120 0.000 1.439 144 A CA -1.018 50.956 52.037 -0.104 0.000 1.083 144 A CB -1.427 17.497 19.000 -0.126 0.000 1.019 144 A HN 0.162 8.153 8.150 -0.090 0.106 0.607 145 E N -0.258 119.885 120.200 -0.096 0.000 2.204 145 E HA -0.241 4.043 4.350 -0.111 0.000 0.195 145 E C 0.729 177.286 176.600 -0.072 0.000 0.990 145 E CA 2.338 58.685 56.400 -0.088 0.000 0.821 145 E CB -0.286 29.376 29.700 -0.064 0.000 0.750 145 E HN -0.290 7.907 8.360 -0.079 0.115 0.477 146 L N -6.082 115.102 121.223 -0.066 0.000 2.592 146 L HA 0.296 4.608 4.340 -0.047 0.000 0.227 146 L C 0.162 176.994 176.870 -0.063 0.000 1.127 146 L CA 1.505 56.312 54.840 -0.054 0.000 0.884 146 L CB 0.155 42.188 42.059 -0.045 0.000 1.065 146 L HN -0.404 7.751 8.230 -0.067 0.035 0.457 147 V N -1.605 118.259 119.914 -0.083 0.000 3.572 147 V HA 0.150 4.220 4.120 -0.083 0.000 0.260 147 V C 1.573 177.615 176.094 -0.087 0.000 1.324 147 V CA 1.021 63.262 62.300 -0.098 0.000 1.068 147 V CB 1.395 33.133 31.823 -0.140 0.000 0.837 147 V HN -0.063 7.863 8.190 -0.094 0.208 0.450 148 E N 1.684 121.834 120.200 -0.084 0.000 2.130 148 E HA -0.425 4.086 4.350 0.056 -0.128 0.196 148 E C 1.242 177.857 176.600 0.025 0.000 0.998 148 E CA 3.468 59.855 56.400 -0.022 0.000 0.806 148 E CB -1.057 28.569 29.700 -0.124 0.000 0.738 148 E HN -0.001 8.294 8.360 -0.108 0.000 0.459 149 N N -2.343 116.349 118.700 -0.014 0.000 2.459 149 N HA -0.187 4.551 4.740 -0.003 0.000 0.181 149 N C 0.723 176.220 175.510 -0.022 0.000 1.046 149 N CA 1.927 54.969 53.050 -0.014 0.000 0.904 149 N CB 0.017 38.491 38.487 -0.022 0.000 0.964 149 N HN 0.130 8.473 8.380 -0.034 0.017 0.444 150 K N -1.245 119.137 120.400 -0.031 0.000 2.242 150 K HA 0.008 4.312 4.320 -0.027 0.000 0.200 150 K C 1.629 178.211 176.600 -0.031 0.000 1.050 150 K CA 2.313 58.580 56.287 -0.034 0.000 0.981 150 K CB 0.591 33.065 32.500 -0.044 0.000 0.795 150 K HN -0.138 7.910 8.250 -0.039 0.180 0.477 151 E N 1.110 121.288 120.200 -0.037 0.000 2.219 151 E HA -0.357 3.969 4.350 -0.040 0.000 0.198 151 E C 1.631 178.232 176.600 0.003 0.000 0.998 151 E CA 2.941 59.334 56.400 -0.011 0.000 0.818 151 E CB -0.372 29.350 29.700 0.038 0.000 0.741 151 E HN 0.278 8.529 8.360 -0.039 0.085 0.477 152 V N -1.282 118.611 119.914 -0.035 0.000 2.568 152 V HA -0.309 3.727 4.120 -0.139 0.000 0.253 152 V C 0.531 176.529 176.094 -0.160 0.000 1.072 152 V CA 3.162 65.397 62.300 -0.109 0.000 1.084 152 V CB 0.081 31.846 31.823 -0.096 0.000 0.676 152 V HN -0.591 7.554 8.190 -0.018 0.034 0.469 153 M N -10.204 109.353 119.600 -0.072 0.000 2.504 153 M HA 0.481 5.023 4.480 -0.108 -0.127 0.370 153 M C -1.697 174.667 176.300 0.108 0.000 1.110 153 M CA -0.623 54.656 55.300 -0.034 0.000 0.938 153 M CB 0.597 33.177 32.600 -0.033 0.000 1.460 153 M HN -0.317 7.799 8.290 -0.036 0.152 0.535 154 S N -0.587 115.193 115.700 0.132 0.000 3.078 154 S HA 0.299 5.038 4.470 0.447 0.000 0.248 154 S C -1.527 173.199 174.600 0.210 0.000 0.857 154 S CA 0.786 59.136 58.200 0.249 0.000 1.139 154 S CB 1.864 65.138 63.200 0.122 0.000 1.186 154 S HN -0.261 7.879 8.310 0.052 0.201 0.567 155 F N 0.869 120.565 119.950 -0.422 0.000 2.531 155 F HA 0.033 3.921 4.527 -1.065 0.000 0.410 155 F C -2.016 173.335 175.800 -0.749 0.000 0.829 155 F CA 0.646 58.202 58.000 -0.741 0.000 0.913 155 F CB 3.403 42.219 39.000 -0.307 0.000 1.106 155 F HN -0.565 7.705 8.300 -0.050 0.000 0.594 156 F N 0.418 120.140 119.950 -0.379 0.000 2.201 156 F HA -0.367 4.047 4.527 -0.189 0.000 0.470 156 F C -2.175 173.403 175.800 -0.370 0.000 1.227 156 F CA -0.058 57.765 58.000 -0.295 0.000 1.522 156 F CB -0.911 37.985 39.000 -0.173 0.000 2.383 156 F HN -0.115 8.115 8.300 -0.117 0.000 0.741 157 L N -0.416 120.742 121.223 -0.109 0.000 2.467 157 L HA 0.320 4.507 4.340 -0.256 0.000 0.270 157 L C -1.024 175.644 176.870 -0.337 0.000 1.205 157 L CA -1.443 53.258 54.840 -0.231 0.000 0.828 157 L CB 0.067 41.984 42.059 -0.236 0.000 1.101 157 L HN -0.137 7.993 8.230 -0.166 0.000 0.479 158 P HA -0.107 4.112 4.420 -0.335 0.000 0.230 158 P C -0.223 176.933 177.300 -0.240 0.000 1.158 158 P CA 0.981 63.916 63.100 -0.274 0.000 0.769 158 P CB 0.276 31.903 31.700 -0.122 0.000 0.807 159 S N -1.681 113.882 115.700 -0.229 0.000 3.869 159 S HA 0.012 4.482 4.470 -0.001 0.000 0.241 159 S C 0.082 174.600 174.600 -0.137 0.000 1.363 159 S CA -1.333 56.806 58.200 -0.102 0.000 0.894 159 S CB -0.840 62.321 63.200 -0.065 0.000 1.519 159 S HN -0.225 7.874 8.310 -0.243 0.065 0.470 160 F N 4.313 124.246 119.950 -0.028 0.000 2.216 160 F HA -0.390 4.029 4.527 -0.181 0.000 0.300 160 F C 1.697 177.471 175.800 -0.043 0.000 1.085 160 F CA 4.081 62.035 58.000 -0.077 0.000 1.326 160 F CB -0.186 38.846 39.000 0.054 0.000 1.027 160 F HN -0.477 7.976 8.300 0.308 0.032 0.497 161 R N -3.616 117.004 120.500 0.200 0.000 2.237 161 R HA -0.277 4.204 4.340 0.235 0.000 0.219 161 R C 0.648 176.996 176.300 0.079 0.000 1.080 161 R CA 2.284 58.480 56.100 0.160 0.000 0.995 161 R CB -0.968 29.403 30.300 0.118 0.000 0.875 161 R HN 0.218 8.584 8.270 0.200 0.024 0.462 162 S N -1.493 114.214 115.700 0.012 0.000 2.475 162 S HA 0.065 4.530 4.470 -0.007 0.000 0.224 162 S C -0.069 174.485 174.600 -0.076 0.000 1.042 162 S CA 1.996 60.179 58.200 -0.027 0.000 0.935 162 S CB 1.368 64.545 63.200 -0.038 0.000 0.801 162 S HN -0.366 7.764 8.310 -0.004 0.178 0.509 163 D N 2.948 123.248 120.400 -0.168 0.000 2.077 163 D HA -0.288 4.207 4.640 -0.241 0.000 0.193 163 D C 1.892 178.086 176.300 -0.176 0.000 0.989 163 D CA 3.303 57.131 54.000 -0.286 0.000 0.831 163 D CB 0.053 40.532 40.800 -0.534 0.000 0.979 163 D HN -0.350 7.830 8.370 -0.174 0.086 0.449 164 Y N -2.360 117.978 120.300 0.064 0.000 2.274 164 Y HA -0.313 4.289 4.550 0.085 0.000 0.290 164 Y C 2.691 178.609 175.900 0.031 0.000 1.145 164 Y CA 3.063 61.213 58.100 0.084 0.000 1.203 164 Y CB -0.590 37.957 38.460 0.144 0.000 0.984 164 Y HN -0.506 7.535 8.280 -0.399 0.000 0.533 165 R N -1.732 118.848 120.500 0.133 0.000 2.307 165 R HA -0.180 4.286 4.340 0.025 -0.110 0.199 165 R C 0.824 177.103 176.300 -0.034 0.000 1.000 165 R CA 1.439 57.558 56.100 0.032 0.000 1.023 165 R CB -0.447 29.862 30.300 0.016 0.000 0.908 165 R HN 0.124 8.446 8.270 0.119 0.019 0.473 166 A N -0.883 121.916 122.820 -0.034 0.000 2.035 166 A HA 0.014 4.292 4.320 -0.070 0.000 0.208 166 A C 0.504 178.048 177.584 -0.067 0.000 1.206 166 A CA 1.734 53.733 52.037 -0.062 0.000 0.773 166 A CB 0.757 19.715 19.000 -0.071 0.000 0.878 166 A HN 0.030 7.962 8.150 -0.016 0.209 0.469 167 L N -1.495 119.706 121.223 -0.036 0.000 2.115 167 L HA -0.138 4.174 4.340 -0.047 0.000 0.200 167 L C 2.003 178.840 176.870 -0.055 0.000 1.094 167 L CA 2.122 56.948 54.840 -0.024 0.000 0.769 167 L CB -0.210 41.872 42.059 0.037 0.000 0.931 167 L HN -0.143 8.083 8.230 -0.006 0.000 0.455 168 E N -2.119 118.082 120.200 0.003 0.000 2.076 168 E HA -0.102 4.171 4.350 -0.129 0.000 0.190 168 E C -0.015 176.306 176.600 -0.464 0.000 0.979 168 E CA 0.428 56.778 56.400 -0.084 0.000 0.807 168 E CB 0.618 30.458 29.700 0.233 0.000 0.761 168 E HN -0.523 7.903 8.360 0.109 0.000 0.454 169 Q N -5.696 113.946 119.800 -0.264 0.000 2.478 169 Q HA -0.377 3.921 4.340 -0.160 -0.053 0.286 169 Q C -0.701 175.029 176.000 -0.450 0.000 1.299 169 Q CA 0.986 56.591 55.803 -0.330 0.000 0.826 169 Q CB -2.492 26.022 28.738 -0.373 0.000 1.199 169 Q HN 0.191 8.313 8.270 -0.066 0.108 0.451 170 F N -4.280 115.688 119.950 0.029 0.000 2.735 170 F HA 0.070 4.598 4.527 0.001 0.000 0.308 170 F C -0.529 175.281 175.800 0.017 0.000 1.112 170 F CA -1.252 56.760 58.000 0.020 0.000 1.235 170 F CB 0.843 39.865 39.000 0.036 0.000 1.027 170 F HN -0.068 8.266 8.300 0.056 0.000 0.528 171 E N 1.427 121.709 120.200 0.136 0.000 2.289 171 E HA 0.068 4.485 4.350 0.112 0.000 0.278 171 E C 0.009 176.609 176.600 -0.000 0.000 1.032 171 E CA -0.176 56.276 56.400 0.086 0.000 0.854 171 E CB 0.270 30.023 29.700 0.088 0.000 1.046 171 E HN -0.344 7.994 8.360 0.078 0.069 0.409 172 L N 3.631 124.860 121.223 0.009 0.000 2.744 172 L HA 0.114 4.379 4.340 -0.126 0.000 0.218 172 L C 0.406 177.218 176.870 -0.097 0.000 1.190 172 L CA -0.316 54.498 54.840 -0.043 0.000 0.869 172 L CB 0.321 42.421 42.059 0.068 0.000 1.652 172 L HN 0.169 8.429 8.230 0.051 0.000 0.519 173 Y N -2.116 118.217 120.300 0.056 0.000 2.286 173 Y HA -0.187 4.394 4.550 0.052 0.000 0.293 173 Y C -0.023 175.908 175.900 0.051 0.000 1.124 173 Y CA 1.189 59.319 58.100 0.050 0.000 1.178 173 Y CB 0.399 38.885 38.460 0.042 0.000 1.010 173 Y HN -0.058 8.354 8.280 0.219 0.000 0.536 174 D N -1.217 119.299 120.400 0.194 0.000 2.193 174 D HA 0.065 4.781 4.640 0.126 0.000 0.244 174 D C -0.733 175.623 176.300 0.092 0.000 1.064 174 D CA -0.426 53.651 54.000 0.127 0.000 0.845 174 D CB 1.190 42.054 40.800 0.107 0.000 1.148 174 D HN -0.411 8.083 8.370 0.207 0.000 0.464 175 L N -5.551 115.720 121.223 0.079 0.000 3.229 175 L HA 0.360 4.737 4.340 0.061 0.000 0.286 175 L C -0.926 175.971 176.870 0.045 0.000 1.239 175 L CA -1.041 53.837 54.840 0.063 0.000 1.035 175 L CB 0.491 42.593 42.059 0.071 0.000 1.408 175 L HN 0.044 8.323 8.230 0.082 0.000 0.593 176 A N -0.849 122.000 122.820 0.049 0.000 2.271 176 A HA 0.108 4.593 4.320 0.029 -0.148 0.288 176 A C 0.189 177.787 177.584 0.024 0.000 1.094 176 A CA -0.521 51.540 52.037 0.040 0.000 0.828 176 A CB 1.151 20.188 19.000 0.061 0.000 1.091 176 A HN -0.739 7.381 8.150 0.060 0.066 0.493 177 Q N -3.197 116.610 119.800 0.011 0.000 2.494 177 Q HA -0.457 3.877 4.340 -0.011 0.000 0.266 177 Q C -1.003 174.996 176.000 -0.002 0.000 1.053 177 Q CA 1.326 57.128 55.803 -0.001 0.000 1.029 177 Q CB -2.033 26.706 28.738 0.002 0.000 1.423 177 Q HN 0.163 8.441 8.270 0.014 0.000 0.516 178 I N 0.658 121.227 120.570 -0.002 0.000 2.337 178 I HA 0.027 4.200 4.170 0.006 0.000 0.285 178 I C -2.153 173.969 176.117 0.007 0.000 1.041 178 I CA -0.612 60.691 61.300 0.006 0.000 1.199 178 I CB -0.386 37.622 38.000 0.013 0.000 1.370 178 I HN -0.133 8.039 8.210 -0.006 0.035 0.470 179 Q N 4.676 124.479 119.800 0.005 0.000 2.334 179 Q HA 0.439 5.024 4.340 0.030 -0.228 0.249 179 Q C -1.512 174.489 176.000 0.001 0.000 0.909 179 Q CA -0.444 55.361 55.803 0.004 0.000 0.823 179 Q CB 2.133 30.855 28.738 -0.026 0.000 1.353 179 Q HN 0.169 8.440 8.270 0.001 0.000 0.433 180 S N 1.439 117.141 115.700 0.003 0.000 3.897 180 S HA 0.238 4.700 4.470 -0.014 0.000 0.214 180 S C -1.852 172.727 174.600 -0.035 0.000 1.102 180 S CA 0.418 58.611 58.200 -0.012 0.000 1.116 180 S CB 0.614 63.809 63.200 -0.008 0.000 1.288 180 S HN 0.847 9.562 8.310 0.020 -0.393 0.458 181 P HA 0.257 4.643 4.420 -0.057 0.000 0.297 181 P C -1.930 175.208 177.300 -0.271 0.000 1.303 181 P CA -0.325 62.736 63.100 -0.066 0.000 0.753 181 P CB 0.772 32.508 31.700 0.059 0.000 1.281 182 V N -1.772 117.983 119.914 -0.264 0.000 2.540 182 V HA 0.559 4.557 4.120 -0.481 -0.167 0.302 182 V C -1.115 174.777 176.094 -0.338 0.000 1.035 182 V CA -1.300 60.784 62.300 -0.360 0.000 0.873 182 V CB 1.601 33.331 31.823 -0.154 0.000 0.992 182 V HN 0.574 8.699 8.190 -0.107 0.000 0.428 183 H N 4.694 123.695 119.070 -0.115 0.000 3.026 183 H HA 0.996 5.792 4.556 -0.159 -0.335 0.352 183 H C -1.346 173.661 175.328 -0.535 0.000 1.090 183 H CA -1.927 53.987 56.048 -0.224 0.000 1.268 183 H CB 3.479 33.160 29.762 -0.136 0.000 1.816 183 H HN -0.043 7.868 8.280 -0.616 0.000 0.518 184 V N 1.433 121.121 119.914 -0.377 0.000 2.483 184 V HA 0.270 4.091 4.120 -0.679 -0.109 0.295 184 V C -1.575 174.252 176.094 -0.445 0.000 1.035 184 V CA -1.518 60.492 62.300 -0.483 0.000 0.896 184 V CB 1.722 33.432 31.823 -0.188 0.000 0.986 184 V HN 0.224 8.291 8.190 -0.204 0.000 0.447 185 F N 4.717 124.743 119.950 0.126 0.000 2.332 185 F HA 0.284 4.884 4.527 0.123 0.000 0.368 185 F C -1.566 174.308 175.800 0.124 0.000 1.110 185 F CA -2.078 55.997 58.000 0.125 0.000 1.087 185 F CB 0.136 39.217 39.000 0.134 0.000 1.235 185 F HN 1.103 9.113 8.300 -0.483 0.000 0.470 186 N N 4.076 122.900 118.700 0.207 0.000 2.573 186 N HA 0.831 5.990 4.740 0.258 -0.265 0.262 186 N C -0.506 175.061 175.510 0.094 0.000 1.029 186 N CA -0.784 52.373 53.050 0.177 0.000 0.882 186 N CB 2.889 41.448 38.487 0.120 0.000 1.204 186 N HN 0.554 9.027 8.380 0.155 0.000 0.519 187 G N 2.237 111.084 108.800 0.079 0.000 2.591 187 G HA2 0.122 4.063 3.960 -0.031 0.000 0.104 187 G HA3 0.122 4.129 3.960 -0.076 -0.092 0.104 187 G C -2.233 172.637 174.900 -0.050 0.000 1.097 187 G CA 0.603 45.689 45.100 -0.023 0.000 1.076 187 G HN -0.270 8.091 8.290 0.118 0.000 0.485 188 L N -2.882 118.290 121.223 -0.086 0.000 3.895 188 L HA -0.399 3.889 4.340 -0.087 0.000 0.511 188 L C -0.166 176.642 176.870 -0.103 0.000 1.222 188 L CA 0.318 55.109 54.840 -0.083 0.000 0.739 188 L CB -2.971 39.056 42.059 -0.054 0.000 1.425 188 L HN 0.100 8.146 8.230 -0.113 0.116 0.817 189 D N -3.193 117.106 120.400 -0.169 0.000 2.219 189 D HA -0.361 4.152 4.640 -0.212 0.000 0.205 189 D C 1.017 177.241 176.300 -0.126 0.000 0.970 189 D CA 2.525 56.375 54.000 -0.250 0.000 0.851 189 D CB 0.067 40.457 40.800 -0.684 0.000 0.943 189 D HN 0.045 8.306 8.370 -0.181 0.000 0.488 190 D N 0.451 120.804 120.400 -0.078 0.000 2.735 190 D HA -0.051 4.562 4.640 -0.045 0.000 0.267 190 D C -0.251 176.032 176.300 -0.028 0.000 1.081 190 D CA 1.522 55.495 54.000 -0.045 0.000 0.980 190 D CB 0.843 41.619 40.800 -0.039 0.000 1.129 190 D HN -0.052 8.247 8.370 -0.078 0.024 0.459 191 K N 0.175 120.562 120.400 -0.021 0.000 2.171 191 K HA -0.069 4.254 4.320 0.005 0.000 0.274 191 K C 0.261 176.842 176.600 -0.032 0.000 1.110 191 K CA 0.101 56.383 56.287 -0.009 0.000 0.952 191 K CB -1.227 31.277 32.500 0.007 0.000 1.309 191 K HN -0.005 8.232 8.250 -0.022 0.000 0.414 192 K N 1.413 121.790 120.400 -0.038 0.000 2.284 192 K HA 0.013 4.292 4.320 -0.068 0.000 0.198 192 K C 1.178 177.732 176.600 -0.077 0.000 1.048 192 K CA 1.853 58.102 56.287 -0.063 0.000 0.987 192 K CB 0.424 32.881 32.500 -0.071 0.000 0.800 192 K HN -0.248 7.987 8.250 -0.026 0.000 0.486 193 C N -2.520 116.751 119.300 -0.049 0.000 2.448 193 C HA -0.111 4.294 4.460 -0.092 0.000 0.280 193 C C 1.990 176.919 174.990 -0.102 0.000 1.398 193 C CA 1.037 60.023 59.018 -0.055 0.000 1.774 193 C CB -0.155 27.602 27.740 0.029 0.000 1.888 193 C HN 0.014 8.231 8.230 -0.022 0.000 0.519 194 I N 2.893 123.417 120.570 -0.077 0.000 2.226 194 I HA -0.422 3.643 4.170 -0.174 0.000 0.245 194 I C 0.949 176.979 176.117 -0.145 0.000 1.100 194 I CA 3.454 64.687 61.300 -0.111 0.000 1.374 194 I CB 0.105 38.078 38.000 -0.046 0.000 1.057 194 I HN 0.054 8.202 8.210 -0.042 0.037 0.413 195 R N -3.407 117.013 120.500 -0.133 0.000 2.193 195 R HA -0.265 3.979 4.340 -0.160 0.000 0.213 195 R C 1.380 177.554 176.300 -0.211 0.000 1.055 195 R CA 2.678 58.671 56.100 -0.178 0.000 0.995 195 R CB -1.030 29.153 30.300 -0.194 0.000 0.893 195 R HN -0.416 7.787 8.270 -0.111 0.000 0.459 196 D N -0.701 119.570 120.400 -0.215 0.000 2.183 196 D HA -0.130 4.308 4.640 -0.337 0.000 0.205 196 D C 1.770 177.938 176.300 -0.220 0.000 0.962 196 D CA 2.686 56.522 54.000 -0.275 0.000 0.849 196 D CB 0.230 40.855 40.800 -0.291 0.000 0.978 196 D HN -0.628 7.476 8.370 -0.189 0.153 0.488 197 A N 0.056 122.729 122.820 -0.245 0.000 1.835 197 A HA -0.266 3.939 4.320 -0.193 0.000 0.213 197 A C 1.973 179.440 177.584 -0.194 0.000 1.210 197 A CA 3.178 55.038 52.037 -0.294 0.000 0.605 197 A CB -0.207 18.327 19.000 -0.777 0.000 0.860 197 A HN 0.237 8.130 8.150 -0.261 0.100 0.447 198 E N -2.400 117.684 120.200 -0.193 0.000 2.204 198 E HA -0.214 4.090 4.350 -0.076 0.000 0.194 198 E C 2.747 179.301 176.600 -0.077 0.000 0.989 198 E CA 2.212 58.553 56.400 -0.099 0.000 0.824 198 E CB -0.242 29.422 29.700 -0.060 0.000 0.756 198 E HN -0.102 8.114 8.360 -0.240 0.000 0.477 199 G N -2.152 106.592 108.800 -0.094 0.000 2.464 199 G HA2 -0.118 3.754 3.960 -0.146 0.000 0.217 199 G HA3 -0.118 3.944 3.960 -0.106 -0.166 0.217 199 G C 0.141 175.057 174.900 0.026 0.000 1.138 199 G CA 0.898 45.950 45.100 -0.080 0.000 0.793 199 G HN -0.618 7.483 8.290 -0.121 0.116 0.539 200 W N 0.194 121.261 121.300 -0.388 0.000 3.013 200 W HA 0.044 4.314 4.660 -0.651 0.000 0.280 200 W C 1.901 178.055 176.519 -0.609 0.000 1.249 200 W CA -0.044 56.938 57.345 -0.604 0.000 1.577 200 W CB 1.497 30.552 29.460 -0.674 0.000 1.057 200 W HN -0.641 7.452 8.180 0.068 0.128 0.613 201 K N 0.789 121.103 120.400 -0.144 0.000 2.280 201 K HA -0.271 4.042 4.320 -0.011 0.000 0.202 201 K C 0.476 177.076 176.600 0.001 0.000 1.047 201 K CA 2.550 58.808 56.287 -0.049 0.000 0.942 201 K CB -0.656 31.848 32.500 0.007 0.000 0.739 201 K HN 0.154 8.357 8.250 -0.079 0.000 0.457 202 K N -4.408 115.949 120.400 -0.071 0.000 2.379 202 K HA -0.014 4.339 4.320 0.056 0.000 0.194 202 K C -0.184 176.424 176.600 0.014 0.000 1.031 202 K CA -0.555 55.726 56.287 -0.010 0.000 1.037 202 K CB -0.102 32.378 32.500 -0.034 0.000 0.824 202 K HN -0.512 7.619 8.250 -0.136 0.037 0.516 203 W N -1.975 119.162 121.300 -0.273 0.000 6.170 203 W HA -0.437 3.779 4.660 -0.741 0.000 0.394 203 W C -1.524 174.749 176.519 -0.409 0.000 1.480 203 W CA 0.673 57.756 57.345 -0.437 0.000 1.027 203 W CB -1.986 27.310 29.460 -0.273 0.000 2.638 203 W HN -0.384 7.329 8.180 -0.430 0.209 1.547 204 A N -2.396 120.256 122.820 -0.281 0.000 2.319 204 A HA 0.589 4.975 4.320 -0.150 -0.156 0.310 204 A C -1.604 175.762 177.584 -0.363 0.000 1.152 204 A CA -1.268 50.638 52.037 -0.219 0.000 0.783 204 A CB 2.395 21.329 19.000 -0.109 0.000 1.184 204 A HN -0.396 7.513 8.150 -0.391 0.007 0.474 205 K N 4.999 125.194 120.400 -0.343 0.000 2.425 205 K HA 0.297 4.183 4.320 -0.722 0.000 0.259 205 K C -1.077 175.409 176.600 -0.190 0.000 0.978 205 K CA -1.260 54.742 56.287 -0.477 0.000 0.883 205 K CB 1.141 33.352 32.500 -0.482 0.000 1.110 205 K HN -0.137 8.249 8.250 -0.226 -0.272 0.436 206 D N 2.600 122.926 120.400 -0.124 0.000 2.352 206 D HA -0.110 4.517 4.640 -0.022 0.000 0.238 206 D C 0.316 176.664 176.300 0.079 0.000 1.286 206 D CA 1.003 54.993 54.000 -0.017 0.000 0.923 206 D CB 0.768 41.503 40.800 -0.108 0.000 1.146 206 D HN 0.190 8.441 8.370 -0.199 0.000 0.471 207 I N -0.936 119.651 120.570 0.028 0.000 2.454 207 I HA -0.215 3.997 4.170 0.069 0.000 0.254 207 I C -0.443 175.720 176.117 0.078 0.000 1.156 207 I CA 1.198 62.526 61.300 0.048 0.000 1.433 207 I CB 0.857 38.860 38.000 0.006 0.000 1.082 207 I HN 0.368 8.565 8.210 -0.022 0.000 0.432 208 T N 1.584 116.175 114.554 0.063 0.000 3.335 208 T HA 0.229 4.617 4.350 0.063 0.000 0.321 208 T C -2.062 172.679 174.700 0.068 0.000 0.960 208 T CA -0.290 61.837 62.100 0.047 0.000 1.034 208 T CB 0.548 69.403 68.868 -0.022 0.000 1.040 208 T HN -0.564 7.647 8.240 0.002 0.030 0.454 209 F N 4.259 124.183 119.950 -0.044 0.000 2.588 209 F HA 0.810 5.365 4.527 -0.239 -0.172 0.310 209 F C -2.278 173.552 175.800 0.050 0.000 1.082 209 F CA -2.452 55.504 58.000 -0.073 0.000 0.929 209 F CB 3.294 42.327 39.000 0.054 0.000 1.254 209 F HN -0.080 8.180 8.300 -0.068 0.000 0.455 210 H N 1.261 120.234 119.070 -0.161 0.000 2.947 210 H HA 0.394 4.835 4.556 -0.192 0.000 0.354 210 H C -1.813 173.575 175.328 0.101 0.000 1.085 210 H CA 0.238 56.223 56.048 -0.106 0.000 1.253 210 H CB 4.051 33.760 29.762 -0.088 0.000 1.757 210 H HN 0.090 8.263 8.280 -0.177 0.000 0.523 211 Q N 5.166 125.039 119.800 0.121 0.000 2.357 211 Q HA 0.478 5.283 4.340 0.497 -0.167 0.266 211 Q C -1.941 174.172 176.000 0.188 0.000 1.021 211 Q CA -1.299 54.682 55.803 0.298 0.000 0.784 211 Q CB 1.053 29.944 28.738 0.255 0.000 1.243 211 Q HN 0.295 8.397 8.270 -0.279 0.000 0.465 212 F N 8.042 128.062 119.950 0.115 0.000 2.513 212 F HA 0.311 4.821 4.527 -0.029 0.000 0.358 212 F C -2.852 172.960 175.800 0.021 0.000 1.118 212 F CA -1.047 56.977 58.000 0.040 0.000 1.037 212 F CB 2.846 41.889 39.000 0.071 0.000 1.276 212 F HN 0.861 9.394 8.300 0.390 0.000 0.446 213 D N 5.053 125.297 120.400 -0.259 0.000 2.299 213 D HA 0.671 5.460 4.640 -0.022 -0.162 0.243 213 D C -0.914 175.258 176.300 -0.214 0.000 0.982 213 D CA -2.340 51.570 54.000 -0.150 0.000 0.924 213 D CB 2.859 43.589 40.800 -0.118 0.000 1.238 213 D HN -0.174 7.938 8.370 -0.430 0.000 0.484 214 G N -2.743 106.018 108.800 -0.065 0.000 3.022 214 G HA2 0.216 4.288 3.960 0.186 0.000 0.157 214 G HA3 0.216 4.202 3.960 0.043 0.000 0.157 214 G C -1.783 173.119 174.900 0.002 0.000 1.468 214 G CA -1.171 43.954 45.100 0.042 0.000 1.058 214 G HN -0.344 7.902 8.290 -0.073 0.000 0.581 215 G N -2.650 106.157 108.800 0.012 0.000 3.148 215 G HA2 0.171 4.273 3.960 -0.003 0.000 0.300 215 G HA3 0.171 4.166 3.960 0.059 0.000 0.300 215 G C -1.876 173.116 174.900 0.153 0.000 2.403 215 G CA 0.259 45.384 45.100 0.042 0.000 0.763 215 G HN -0.192 8.104 8.290 0.009 0.000 0.371 216 H N 1.090 120.135 119.070 -0.041 0.000 2.648 216 H HA 0.074 4.593 4.556 -0.063 0.000 0.265 216 H C -0.180 175.054 175.328 -0.157 0.000 0.961 216 H CA -0.797 55.203 56.048 -0.079 0.000 1.185 216 H CB 1.941 31.660 29.762 -0.071 0.000 1.449 216 H HN 0.047 8.197 8.280 0.010 0.137 0.523 217 M N 0.327 119.913 119.600 -0.023 0.000 2.246 217 M HA -0.344 4.106 4.480 -0.276 -0.136 0.327 217 M C 1.475 177.721 176.300 -0.090 0.000 1.090 217 M CA 1.538 56.765 55.300 -0.122 0.000 1.087 217 M CB 0.519 33.105 32.600 -0.024 0.000 1.587 217 M HN -1.069 7.184 8.290 0.012 0.044 0.444 218 F N 4.140 124.114 119.950 0.040 0.000 2.147 218 F HA -0.325 4.215 4.527 0.022 0.000 0.301 218 F C 2.015 177.826 175.800 0.019 0.000 1.084 218 F CA 3.980 61.995 58.000 0.024 0.000 1.268 218 F CB -1.023 37.988 39.000 0.017 0.000 1.009 218 F HN 0.882 8.925 8.300 -0.429 0.000 0.486 219 L N -2.575 118.762 121.223 0.191 0.000 2.131 219 L HA -0.205 4.201 4.340 0.110 0.000 0.210 219 L C 2.041 178.956 176.870 0.075 0.000 1.092 219 L CA 2.488 57.395 54.840 0.112 0.000 0.759 219 L CB -1.453 40.656 42.059 0.082 0.000 0.903 219 L HN -0.135 8.189 8.230 0.191 0.020 0.435 220 L N -2.093 119.168 121.223 0.062 0.000 2.270 220 L HA 0.001 4.511 4.340 0.039 -0.146 0.210 220 L C 2.594 179.488 176.870 0.039 0.000 1.104 220 L CA 0.802 55.668 54.840 0.044 0.000 0.804 220 L CB -1.485 40.600 42.059 0.043 0.000 0.937 220 L HN 0.161 8.298 8.230 0.062 0.130 0.450 221 S N -0.595 115.135 115.700 0.051 0.000 2.371 221 S HA -0.320 4.160 4.470 0.017 0.000 0.224 221 S C 1.636 176.267 174.600 0.052 0.000 1.029 221 S CA 2.961 61.188 58.200 0.045 0.000 0.978 221 S CB 0.020 63.261 63.200 0.068 0.000 0.833 221 S HN -0.350 7.871 8.310 0.066 0.129 0.466 222 Q N 0.519 120.362 119.800 0.073 0.000 2.033 222 Q HA -0.133 4.234 4.340 0.046 0.000 0.196 222 Q C 1.032 177.053 176.000 0.035 0.000 0.970 222 Q CA 2.340 58.175 55.803 0.054 0.000 0.828 222 Q CB 1.102 29.878 28.738 0.062 0.000 0.895 222 Q HN -0.049 8.281 8.270 0.099 0.000 0.440 223 T N 2.318 116.894 114.554 0.037 0.000 3.281 223 T HA 0.245 4.607 4.350 0.020 0.000 0.359 223 T C -0.379 174.334 174.700 0.022 0.000 1.459 223 T CA -0.467 61.648 62.100 0.026 0.000 1.114 223 T CB -0.922 67.963 68.868 0.027 0.000 1.162 223 T HN -0.368 7.799 8.240 0.049 0.102 0.665 224 E N 4.301 124.509 120.200 0.013 0.000 2.338 224 E HA -0.299 4.203 4.350 0.005 -0.149 0.197 224 E C 1.295 177.898 176.600 0.006 0.000 1.007 224 E CA 2.751 59.153 56.400 0.004 0.000 0.849 224 E CB -0.436 29.259 29.700 -0.009 0.000 0.774 224 E HN -0.264 8.102 8.360 0.011 0.000 0.506 225 E N -0.108 120.099 120.200 0.011 0.000 2.085 225 E HA -0.315 4.043 4.350 0.013 0.000 0.194 225 E C 1.602 178.216 176.600 0.023 0.000 0.994 225 E CA 2.942 59.352 56.400 0.015 0.000 0.801 225 E CB -0.392 29.317 29.700 0.015 0.000 0.743 225 E HN 0.162 8.485 8.360 0.012 0.043 0.453 226 V N -0.401 119.527 119.914 0.024 0.000 2.358 226 V HA -0.391 3.746 4.120 0.029 0.000 0.246 226 V C 1.670 177.787 176.094 0.039 0.000 1.047 226 V CA 3.438 65.755 62.300 0.029 0.000 1.035 226 V CB -0.882 30.957 31.823 0.026 0.000 0.658 226 V HN -0.639 7.558 8.190 0.022 0.006 0.452 227 A N 0.017 122.858 122.820 0.035 0.000 1.908 227 A HA -0.407 3.949 4.320 0.061 0.000 0.218 227 A C 1.874 179.496 177.584 0.064 0.000 1.181 227 A CA 3.395 55.458 52.037 0.043 0.000 0.627 227 A CB -1.002 18.006 19.000 0.013 0.000 0.818 227 A HN -0.514 7.578 8.150 0.026 0.074 0.445 228 E N -1.946 118.276 120.200 0.036 0.000 2.072 228 E HA -0.337 4.035 4.350 0.037 0.000 0.191 228 E C 2.761 179.430 176.600 0.114 0.000 0.985 228 E CA 3.164 59.596 56.400 0.055 0.000 0.801 228 E CB 0.010 29.724 29.700 0.024 0.000 0.750 228 E HN -0.169 8.203 8.360 0.020 0.000 0.452 229 R N -1.075 119.475 120.500 0.083 0.000 2.075 229 R HA -0.224 4.165 4.340 0.082 0.000 0.232 229 R C 2.675 179.030 176.300 0.091 0.000 1.126 229 R CA 2.141 58.288 56.100 0.079 0.000 0.963 229 R CB -0.494 29.836 30.300 0.050 0.000 0.858 229 R HN -0.291 7.939 8.270 0.060 0.076 0.435 230 I N -0.063 120.561 120.570 0.090 0.000 2.226 230 I HA -0.508 3.674 4.170 0.020 0.000 0.245 230 I C 2.097 178.263 176.117 0.082 0.000 1.100 230 I CA 4.089 65.425 61.300 0.060 0.000 1.374 230 I CB -0.315 37.711 38.000 0.043 0.000 1.057 230 I HN 0.287 8.548 8.210 0.086 0.000 0.413 231 F N -0.470 119.472 119.950 -0.013 0.000 2.134 231 F HA -0.409 4.107 4.527 -0.018 0.000 0.299 231 F C 1.067 176.924 175.800 0.095 0.000 1.097 231 F CA 3.796 61.819 58.000 0.037 0.000 1.264 231 F CB -0.247 38.805 39.000 0.087 0.000 1.001 231 F HN -0.538 7.969 8.300 0.345 0.000 0.479 232 A N 0.669 123.633 122.820 0.240 0.000 1.877 232 A HA -0.332 4.106 4.320 0.197 0.000 0.216 232 A C 1.862 179.515 177.584 0.116 0.000 1.186 232 A CA 3.146 55.284 52.037 0.168 0.000 0.620 232 A CB -0.667 18.411 19.000 0.130 0.000 0.822 232 A HN -0.017 8.199 8.150 0.244 0.080 0.443 233 I N -2.586 118.035 120.570 0.086 0.000 2.676 233 I HA -0.341 3.880 4.170 0.084 0.000 0.259 233 I C 0.606 176.773 176.117 0.085 0.000 1.194 233 I CA 1.545 62.891 61.300 0.077 0.000 1.473 233 I CB 0.027 38.061 38.000 0.057 0.000 1.096 233 I HN -0.286 7.974 8.210 0.084 0.000 0.443 234 L N -2.886 118.347 121.223 0.018 0.000 2.044 234 L HA -0.396 3.917 4.340 -0.044 0.000 0.205 234 L C 2.663 179.631 176.870 0.163 0.000 1.075 234 L CA 2.672 57.500 54.840 -0.020 0.000 0.747 234 L CB -0.292 41.571 42.059 -0.327 0.000 0.903 234 L HN -0.333 7.763 8.230 0.000 0.135 0.435 235 N N -0.374 118.424 118.700 0.162 0.000 2.188 235 N HA -0.219 4.669 4.740 0.248 0.000 0.184 235 N C 2.116 177.722 175.510 0.159 0.000 1.018 235 N CA 2.794 55.965 53.050 0.201 0.000 0.858 235 N CB -0.188 38.422 38.487 0.206 0.000 0.989 235 N HN 0.012 8.458 8.380 0.109 0.000 0.426 236 Q N -3.807 116.073 119.800 0.133 0.000 2.247 236 Q HA 0.145 4.690 4.340 0.071 -0.162 0.205 236 Q C 0.499 176.552 176.000 0.089 0.000 0.896 236 Q CA -0.556 55.301 55.803 0.091 0.000 0.950 236 Q CB -0.760 28.019 28.738 0.069 0.000 1.054 236 Q HN -0.386 7.950 8.270 0.132 0.013 0.482 237 H N 2.884 121.977 119.070 0.038 0.000 2.307 237 H HA -0.182 4.376 4.556 0.004 0.000 0.303 237 H C -0.160 175.173 175.328 0.009 0.000 1.073 237 H CA 4.504 60.562 56.048 0.016 0.000 1.338 237 H CB -0.620 29.146 29.762 0.007 0.000 1.389 237 H HN -0.663 7.557 8.280 0.239 0.203 0.503 238 P HA -0.138 4.271 4.420 -0.019 0.000 0.216 238 P C -0.545 176.723 177.300 -0.053 0.000 1.153 238 P CA 1.032 64.137 63.100 0.008 0.000 0.844 238 P CB 0.347 32.074 31.700 0.046 0.000 0.787 239 I N -5.707 114.843 120.570 -0.033 0.000 2.534 239 I HA 0.388 4.522 4.170 -0.060 0.000 0.288 239 I C -2.058 174.044 176.117 -0.026 0.000 1.077 239 I CA -1.720 59.553 61.300 -0.045 0.000 1.051 239 I CB 2.289 40.257 38.000 -0.054 0.000 1.234 239 I HN -0.755 7.458 8.210 0.005 0.000 0.425 240 I N 0.426 120.975 120.570 -0.034 0.000 2.575 240 I HA 0.174 4.342 4.170 -0.004 0.000 0.285 240 I C -0.331 175.779 176.117 -0.012 0.000 1.085 240 I CA 0.136 61.426 61.300 -0.018 0.000 1.403 240 I CB 0.691 38.676 38.000 -0.025 0.000 1.409 240 I HN 0.062 8.244 8.210 -0.047 0.000 0.557 241 Q N 5.729 125.531 119.800 0.002 0.000 2.327 241 Q HA 0.256 4.594 4.340 -0.003 0.000 0.254 241 Q C -1.670 174.328 176.000 -0.003 0.000 0.952 241 Q CA -1.738 54.067 55.803 0.003 0.000 0.884 241 Q CB -0.315 28.434 28.738 0.018 0.000 1.224 241 Q HN 0.282 8.559 8.270 0.012 0.000 0.422 242 P HA 0.000 4.413 4.420 -0.012 0.000 0.216 242 P CA 0.000 63.094 63.100 -0.009 0.000 0.800 242 P CB 0.000 31.692 31.700 -0.014 0.000 0.726