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 1bc9_1_A DATA FIRST_RESID 57 DATA SEQUENCE MKNMQRNKQV AMGRKKFNMD PKKGIQFLIE NDLLKNTCED IAQFLYKGEG DATA SEQUENCE LNKTAIGDYL GERDEFNIQV LHAFVELHEF TDLNLVQALR QFLWSFRLPG DATA SEQUENCE EAQKIDRMME AFAQRYCQCN NGVFQSTDTC YVLSFAIIML NTSLHNPNVK DATA SEQUENCE DKPTVERFIA MNRGINDGGD LPEELLRNLY ESIKNEPFKI PELEHHHHHH 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 57 M HA 0.000 4.486 4.480 0.009 0.000 0.227 57 M C 0.000 176.306 176.300 0.010 0.000 1.140 57 M CA 0.000 55.305 55.300 0.009 0.000 0.988 57 M CB 0.000 32.605 32.600 0.008 0.000 1.302 58 K N 2.883 123.289 120.400 0.010 0.000 2.258 58 K HA -0.240 4.087 4.320 0.011 0.000 0.266 58 K C -0.621 175.987 176.600 0.014 0.000 1.204 58 K CA 0.165 56.459 56.287 0.011 0.000 1.206 58 K CB -1.411 31.095 32.500 0.010 0.000 0.854 58 K HN 0.102 8.357 8.250 0.009 0.000 0.453 59 N N 3.291 122.001 118.700 0.016 0.000 2.315 59 N HA -0.216 4.536 4.740 0.020 0.000 0.270 59 N C -0.167 175.356 175.510 0.022 0.000 1.329 59 N CA 0.454 53.516 53.050 0.020 0.000 0.860 59 N CB 0.247 38.747 38.487 0.022 0.000 1.095 59 N HN -0.050 8.339 8.380 0.015 0.000 0.487 60 M N 3.803 123.416 119.600 0.022 0.000 2.245 60 M HA -0.128 4.363 4.480 0.019 0.000 0.330 60 M C 1.252 177.569 176.300 0.028 0.000 1.098 60 M CA 0.528 55.841 55.300 0.022 0.000 1.172 60 M CB 0.519 33.131 32.600 0.020 0.000 1.467 60 M HN -0.026 8.277 8.290 0.022 0.000 0.454 61 Q N 2.592 122.407 119.800 0.025 0.000 2.077 61 Q HA -0.453 3.910 4.340 0.039 0.000 0.206 61 Q C 2.307 178.329 176.000 0.037 0.000 0.989 61 Q CA 4.260 60.082 55.803 0.031 0.000 0.853 61 Q CB -0.045 28.705 28.738 0.020 0.000 0.907 61 Q HN 0.514 8.796 8.270 0.020 0.000 0.418 62 R N -1.506 119.009 120.500 0.026 0.000 2.094 62 R HA -0.370 4.112 4.340 0.017 -0.132 0.239 62 R C 2.136 178.466 176.300 0.050 0.000 1.137 62 R CA 4.240 60.356 56.100 0.027 0.000 0.943 62 R CB -0.543 29.768 30.300 0.019 0.000 0.850 62 R HN 0.214 8.496 8.270 0.019 0.000 0.433 63 N N -2.063 116.664 118.700 0.046 0.000 2.060 63 N HA -0.371 4.402 4.740 0.056 0.000 0.195 63 N C 1.736 177.287 175.510 0.069 0.000 1.028 63 N CA 4.106 57.188 53.050 0.053 0.000 0.861 63 N CB -0.492 38.019 38.487 0.040 0.000 1.029 63 N HN 0.095 8.496 8.380 0.036 0.000 0.428 64 K N -0.996 119.445 120.400 0.069 0.000 2.152 64 K HA -0.399 3.962 4.320 0.069 0.000 0.206 64 K C 2.496 179.175 176.600 0.132 0.000 1.048 64 K CA 3.271 59.608 56.287 0.082 0.000 0.933 64 K CB -0.052 32.492 32.500 0.074 0.000 0.721 64 K HN -0.261 8.023 8.250 0.057 0.000 0.447 65 Q N -1.042 118.852 119.800 0.156 0.000 2.049 65 Q HA -0.260 4.343 4.340 0.439 0.000 0.198 65 Q C 2.272 178.423 176.000 0.252 0.000 0.971 65 Q CA 3.620 59.582 55.803 0.266 0.000 0.833 65 Q CB -0.023 28.793 28.738 0.131 0.000 0.896 65 Q HN -0.411 7.785 8.270 0.112 0.141 0.434 66 V N -0.059 119.953 119.914 0.164 0.000 2.392 66 V HA -0.504 3.740 4.120 0.207 0.000 0.249 66 V C 1.856 178.043 176.094 0.156 0.000 1.059 66 V CA 3.412 65.811 62.300 0.165 0.000 1.051 66 V CB -1.198 30.695 31.823 0.118 0.000 0.658 66 V HN 0.057 8.322 8.190 0.125 0.000 0.455 67 A N 0.435 123.328 122.820 0.121 0.000 1.841 67 A HA -0.405 3.963 4.320 0.080 0.000 0.214 67 A C 1.792 179.433 177.584 0.095 0.000 1.195 67 A CA 3.068 55.160 52.037 0.091 0.000 0.611 67 A CB -0.639 18.400 19.000 0.065 0.000 0.835 67 A HN -0.194 8.013 8.150 0.115 0.012 0.443 68 M N -1.678 117.976 119.600 0.091 0.000 2.202 68 M HA -0.451 4.025 4.480 -0.007 0.000 0.262 68 M C 2.356 178.695 176.300 0.065 0.000 1.063 68 M CA 3.413 58.725 55.300 0.019 0.000 1.097 68 M CB 0.045 32.594 32.600 -0.086 0.000 1.382 68 M HN -0.534 7.821 8.290 0.108 0.000 0.413 69 G N -1.853 107.077 108.800 0.216 0.000 2.421 69 G HA2 -0.393 3.781 3.960 0.358 0.000 0.216 69 G HA3 -0.393 3.803 3.960 0.394 0.000 0.216 69 G C 0.495 175.592 174.900 0.329 0.000 1.171 69 G CA 1.767 47.067 45.100 0.334 0.000 0.775 69 G HN 0.268 8.596 8.290 0.245 0.109 0.543 70 R N 1.135 121.770 120.500 0.226 0.000 2.120 70 R HA -0.316 4.121 4.340 0.161 0.000 0.234 70 R C 2.020 178.427 176.300 0.178 0.000 1.123 70 R CA 2.938 59.138 56.100 0.168 0.000 0.975 70 R CB -0.144 30.205 30.300 0.080 0.000 0.866 70 R HN -0.534 7.851 8.270 0.193 0.000 0.446 71 K N -0.836 119.640 120.400 0.128 0.000 2.057 71 K HA -0.347 4.019 4.320 0.076 0.000 0.207 71 K C 2.225 178.885 176.600 0.100 0.000 1.049 71 K CA 3.392 59.730 56.287 0.085 0.000 0.931 71 K CB -0.194 32.325 32.500 0.032 0.000 0.714 71 K HN -0.501 7.717 8.250 0.114 0.100 0.440 72 K N -0.885 119.585 120.400 0.115 0.000 1.987 72 K HA -0.324 4.001 4.320 0.009 0.000 0.216 72 K C 2.249 178.912 176.600 0.104 0.000 1.051 72 K CA 3.335 59.667 56.287 0.076 0.000 0.942 72 K CB -0.539 32.005 32.500 0.073 0.000 0.722 72 K HN -0.670 7.655 8.250 0.124 0.000 0.444 73 F N -2.136 117.853 119.950 0.065 0.000 2.147 73 F HA -0.245 4.441 4.527 0.070 -0.117 0.301 73 F C 2.009 177.837 175.800 0.047 0.000 1.084 73 F CA 3.182 61.223 58.000 0.069 0.000 1.268 73 F CB -0.250 38.806 39.000 0.093 0.000 1.009 73 F HN -0.724 7.924 8.300 0.579 0.000 0.486 74 N N -2.605 116.226 118.700 0.219 0.000 2.223 74 N HA -0.243 4.574 4.740 0.128 0.000 0.185 74 N C 1.060 176.613 175.510 0.073 0.000 1.016 74 N CA 2.191 55.315 53.050 0.124 0.000 0.863 74 N CB 0.119 38.660 38.487 0.090 0.000 0.983 74 N HN -0.598 7.815 8.380 0.241 0.112 0.429 75 M N -2.824 116.807 119.600 0.051 0.000 2.466 75 M HA -0.033 4.458 4.480 0.018 0.000 0.265 75 M C -0.677 175.622 176.300 -0.001 0.000 1.122 75 M CA 1.909 57.219 55.300 0.016 0.000 1.157 75 M CB 2.185 34.785 32.600 -0.001 0.000 1.352 75 M HN -0.252 7.917 8.290 0.064 0.159 0.464 76 D N -3.159 117.228 120.400 -0.023 0.000 2.734 76 D HA 0.401 5.021 4.640 -0.033 0.000 0.224 76 D C -2.493 173.698 176.300 -0.182 0.000 1.222 76 D CA -1.133 52.828 54.000 -0.066 0.000 0.761 76 D CB 3.781 44.539 40.800 -0.070 0.000 1.569 76 D HN 0.339 8.509 8.370 -0.013 0.192 0.477 77 P HA 0.111 4.049 4.420 -0.804 0.000 0.274 77 P C -0.778 176.234 177.300 -0.480 0.000 1.231 77 P CA -0.298 62.551 63.100 -0.417 0.000 0.790 77 P CB 0.836 32.475 31.700 -0.101 0.000 0.951 78 K N -3.049 116.890 120.400 -0.767 0.000 3.553 78 K HA -0.399 3.714 4.320 -0.345 0.000 0.303 78 K C 1.332 177.729 176.600 -0.338 0.000 1.327 78 K CA 1.848 57.883 56.287 -0.420 0.000 0.983 78 K CB -0.430 31.939 32.500 -0.217 0.000 1.275 78 K HN 0.374 7.783 8.250 -1.400 0.000 0.453 79 K N -1.626 118.528 120.400 -0.409 0.000 2.067 79 K HA -0.092 4.151 4.320 -0.128 0.000 0.203 79 K C 1.763 178.334 176.600 -0.049 0.000 1.048 79 K CA 2.662 58.837 56.287 -0.188 0.000 0.954 79 K CB -0.040 32.367 32.500 -0.155 0.000 0.737 79 K HN -0.725 7.069 8.250 -0.613 0.088 0.444 80 G N -0.890 107.915 108.800 0.008 0.000 2.448 80 G HA2 -0.231 3.928 3.960 0.332 0.000 0.219 80 G HA3 -0.231 4.314 3.960 0.792 -0.110 0.219 80 G C 0.976 176.069 174.900 0.322 0.000 1.127 80 G CA 1.900 47.239 45.100 0.398 0.000 0.766 80 G HN 0.344 8.445 8.290 -0.316 0.000 0.552 81 I N 0.982 121.684 120.570 0.220 0.000 2.162 81 I HA -0.400 3.686 4.170 -0.139 0.000 0.238 81 I C 1.464 177.558 176.117 -0.038 0.000 1.076 81 I CA 2.988 64.308 61.300 0.034 0.000 1.353 81 I CB -0.785 37.256 38.000 0.069 0.000 1.063 81 I HN -0.782 7.460 8.210 0.102 0.029 0.408 82 Q N -0.502 119.282 119.800 -0.026 0.000 2.197 82 Q HA -0.422 3.877 4.340 -0.068 0.000 0.207 82 Q C 2.480 178.506 176.000 0.044 0.000 0.984 82 Q CA 3.458 59.245 55.803 -0.026 0.000 0.869 82 Q CB -0.310 28.408 28.738 -0.034 0.000 0.906 82 Q HN -0.470 7.774 8.270 -0.045 0.000 0.426 83 F N 0.572 120.479 119.950 -0.072 0.000 2.031 83 F HA -0.349 4.149 4.527 -0.048 0.000 0.295 83 F C 1.152 176.908 175.800 -0.073 0.000 1.133 83 F CA 2.575 60.541 58.000 -0.055 0.000 1.188 83 F CB -0.195 38.790 39.000 -0.025 0.000 0.974 83 F HN -0.542 7.860 8.300 0.207 0.023 0.473 84 L N -1.948 119.081 121.223 -0.324 0.000 2.083 84 L HA -0.445 3.498 4.340 -0.662 0.000 0.209 84 L C 2.634 179.326 176.870 -0.297 0.000 1.083 84 L CA 3.233 57.804 54.840 -0.448 0.000 0.752 84 L CB -0.380 41.438 42.059 -0.402 0.000 0.899 84 L HN -0.794 7.380 8.230 -0.092 0.000 0.433 85 I N -2.241 118.209 120.570 -0.200 0.000 2.546 85 I HA -0.391 3.700 4.170 -0.131 0.000 0.255 85 I C 2.033 178.082 176.117 -0.113 0.000 1.163 85 I CA 3.674 64.892 61.300 -0.136 0.000 1.457 85 I CB 0.339 38.276 38.000 -0.105 0.000 1.092 85 I HN 0.387 8.480 8.210 -0.178 0.011 0.434 86 E N -0.969 119.167 120.200 -0.106 0.000 2.170 86 E HA -0.214 4.103 4.350 -0.056 0.000 0.191 86 E C 1.309 177.853 176.600 -0.094 0.000 0.981 86 E CA 2.310 58.670 56.400 -0.067 0.000 0.830 86 E CB 0.380 30.078 29.700 -0.004 0.000 0.775 86 E HN -0.041 8.027 8.360 -0.111 0.226 0.470 87 N N -1.251 117.333 118.700 -0.192 0.000 2.322 87 N HA -0.058 4.609 4.740 -0.121 0.000 0.194 87 N C -1.052 174.349 175.510 -0.180 0.000 1.126 87 N CA 0.137 53.059 53.050 -0.213 0.000 0.845 87 N CB -0.164 38.072 38.487 -0.419 0.000 0.976 87 N HN -0.128 7.986 8.380 -0.273 0.102 0.475 88 D N -7.620 112.689 120.400 -0.153 0.000 2.946 88 D HA -0.388 4.195 4.640 -0.094 0.000 0.202 88 D C -0.010 176.210 176.300 -0.132 0.000 1.068 88 D CA 1.372 55.303 54.000 -0.115 0.000 1.011 88 D CB -2.475 38.277 40.800 -0.081 0.000 1.105 88 D HN -0.212 7.883 8.370 -0.150 0.185 0.425 89 L N -0.861 120.242 121.223 -0.199 0.000 2.465 89 L HA -0.142 4.113 4.340 -0.142 0.000 0.224 89 L C -0.526 176.248 176.870 -0.161 0.000 1.145 89 L CA 1.797 56.522 54.840 -0.191 0.000 0.834 89 L CB 0.804 42.694 42.059 -0.281 0.000 0.944 89 L HN -0.261 7.736 8.230 -0.262 0.076 0.451 90 L N -4.477 116.649 121.223 -0.161 0.000 2.341 90 L HA 0.268 4.547 4.340 -0.102 0.000 0.254 90 L C -2.009 174.817 176.870 -0.074 0.000 1.040 90 L CA -1.730 53.032 54.840 -0.129 0.000 0.837 90 L CB 3.931 45.869 42.059 -0.202 0.000 1.425 90 L HN -0.582 7.439 8.230 -0.169 0.107 0.414 91 K N -0.046 120.334 120.400 -0.032 0.000 2.367 91 K HA 0.254 4.571 4.320 -0.005 0.000 0.263 91 K C -1.156 175.470 176.600 0.042 0.000 1.000 91 K CA -1.322 54.969 56.287 0.007 0.000 0.891 91 K CB 0.722 33.239 32.500 0.028 0.000 1.117 91 K HN 0.083 8.415 8.250 -0.027 -0.098 0.443 92 N N 4.489 123.211 118.700 0.037 0.000 2.294 92 N HA -0.102 4.694 4.740 0.094 0.000 0.275 92 N C 0.161 175.759 175.510 0.145 0.000 1.291 92 N CA 1.408 54.505 53.050 0.078 0.000 0.933 92 N CB 0.437 38.940 38.487 0.026 0.000 1.096 92 N HN 0.469 8.857 8.380 0.013 0.000 0.525 93 T N -2.728 111.955 114.554 0.215 0.000 4.595 93 T HA -0.319 4.204 4.350 0.288 0.000 0.311 93 T C -1.213 173.630 174.700 0.238 0.000 1.052 93 T CA 1.541 63.782 62.100 0.234 0.000 2.205 93 T CB -1.452 67.498 68.868 0.137 0.000 1.872 93 T HN 0.390 8.760 8.240 0.216 0.000 0.961 94 C N -7.426 112.081 119.300 0.345 0.000 4.320 94 C HA -0.460 4.181 4.460 0.302 0.000 0.281 94 C C -0.233 174.909 174.990 0.253 0.000 1.432 94 C CA 1.127 60.274 59.018 0.215 0.000 1.884 94 C CB -0.747 26.947 27.740 -0.076 0.000 1.378 94 C HN 0.033 8.549 8.230 0.520 0.026 0.771 95 E N 0.974 121.320 120.200 0.244 0.000 2.004 95 E HA -0.232 4.362 4.350 0.407 0.000 0.192 95 E C 1.040 177.778 176.600 0.230 0.000 0.987 95 E CA 2.950 59.519 56.400 0.282 0.000 0.822 95 E CB 0.227 30.038 29.700 0.184 0.000 0.779 95 E HN -0.821 7.606 8.360 0.217 0.063 0.458 96 D N -1.827 118.653 120.400 0.133 0.000 2.289 96 D HA -0.038 4.603 4.640 0.002 0.000 0.207 96 D C 2.266 178.650 176.300 0.139 0.000 0.966 96 D CA 2.065 56.109 54.000 0.073 0.000 0.868 96 D CB 0.197 41.020 40.800 0.038 0.000 0.943 96 D HN -0.533 7.913 8.370 0.126 0.000 0.514 97 I N -1.597 119.087 120.570 0.190 0.000 2.381 97 I HA -0.524 3.781 4.170 0.224 0.000 0.255 97 I C 1.351 177.645 176.117 0.294 0.000 1.140 97 I CA 3.284 64.733 61.300 0.247 0.000 1.404 97 I CB -0.764 37.426 38.000 0.317 0.000 1.075 97 I HN -0.619 7.676 8.210 0.189 0.029 0.433 98 A N -1.570 121.419 122.820 0.281 0.000 1.840 98 A HA -0.328 4.248 4.320 0.427 0.000 0.214 98 A C 1.855 179.575 177.584 0.226 0.000 1.198 98 A CA 2.585 54.816 52.037 0.323 0.000 0.608 98 A CB -0.620 18.617 19.000 0.395 0.000 0.839 98 A HN -0.597 7.671 8.150 0.258 0.037 0.443 99 Q N -1.177 118.654 119.800 0.051 0.000 2.297 99 Q HA -0.311 4.002 4.340 -0.045 0.000 0.208 99 Q C 2.095 178.175 176.000 0.134 0.000 0.981 99 Q CA 2.643 58.451 55.803 0.009 0.000 0.876 99 Q CB 0.088 28.778 28.738 -0.081 0.000 0.921 99 Q HN 0.092 8.340 8.270 -0.036 0.000 0.446 100 F N -1.188 118.800 119.950 0.063 0.000 2.484 100 F HA -0.007 4.542 4.527 0.036 0.000 0.268 100 F C 1.232 177.090 175.800 0.096 0.000 0.965 100 F CA 1.915 59.951 58.000 0.060 0.000 1.119 100 F CB 1.181 40.209 39.000 0.046 0.000 1.153 100 F HN -0.404 8.040 8.300 0.321 0.049 0.689 101 L N -0.193 121.318 121.223 0.479 0.000 2.021 101 L HA -0.501 4.045 4.340 0.343 0.000 0.215 101 L C 1.478 178.523 176.870 0.292 0.000 1.074 101 L CA 3.097 58.123 54.840 0.311 0.000 0.760 101 L CB -0.239 41.888 42.059 0.112 0.000 0.889 101 L HN -0.315 8.276 8.230 0.602 0.000 0.433 102 Y N -4.561 115.890 120.300 0.252 0.000 2.181 102 Y HA -0.408 4.372 4.550 0.385 0.000 0.284 102 Y C 0.384 176.359 175.900 0.126 0.000 1.179 102 Y CA 2.644 60.892 58.100 0.246 0.000 1.179 102 Y CB 0.124 38.688 38.460 0.173 0.000 0.973 102 Y HN -0.493 8.061 8.280 0.461 0.002 0.519 103 K N -5.995 114.548 120.400 0.237 0.000 2.868 103 K HA 0.198 4.581 4.320 0.106 0.000 0.217 103 K C -1.311 175.150 176.600 -0.231 0.000 1.712 103 K CA -0.087 56.244 56.287 0.073 0.000 1.134 103 K CB 2.712 35.294 32.500 0.136 0.000 2.040 103 K HN -0.292 7.935 8.250 0.169 0.125 0.487 104 G N -0.642 107.941 108.800 -0.361 0.000 2.660 104 G HA2 -0.303 3.108 3.960 -0.915 0.000 0.215 104 G HA3 -0.303 2.940 3.960 -1.196 0.000 0.215 104 G C -1.520 173.138 174.900 -0.403 0.000 1.345 104 G CA -0.271 44.367 45.100 -0.770 0.000 0.877 104 G HN -0.534 7.642 8.290 -0.189 0.000 0.549 105 E N 1.147 121.120 120.200 -0.380 0.000 2.663 105 E HA 0.178 4.457 4.350 -0.118 0.000 0.240 105 E C -0.295 176.223 176.600 -0.136 0.000 1.227 105 E CA -0.324 55.982 56.400 -0.157 0.000 1.528 105 E CB -0.292 29.378 29.700 -0.050 0.000 1.472 105 E HN 0.192 8.218 8.360 -0.557 0.000 0.433 106 G N -2.380 106.315 108.800 -0.175 0.000 2.147 106 G HA2 -0.264 3.641 3.960 -0.092 0.000 0.128 106 G HA3 -0.264 3.646 3.960 -0.084 0.000 0.128 106 G C -0.491 174.304 174.900 -0.175 0.000 1.026 106 G CA -0.494 44.531 45.100 -0.126 0.000 0.693 106 G HN -0.354 7.738 8.290 -0.217 0.068 0.499 107 L N -1.048 119.982 121.223 -0.321 0.000 2.461 107 L HA -0.137 3.907 4.340 -0.492 0.000 0.272 107 L C -0.678 176.086 176.870 -0.178 0.000 1.197 107 L CA -0.383 54.182 54.840 -0.458 0.000 0.836 107 L CB 0.551 42.116 42.059 -0.824 0.000 1.105 107 L HN -0.627 7.386 8.230 -0.362 0.000 0.477 108 N N 1.612 120.292 118.700 -0.034 0.000 2.411 108 N HA -0.147 4.619 4.740 0.045 0.000 0.261 108 N C 1.187 176.760 175.510 0.104 0.000 1.248 108 N CA 0.953 54.054 53.050 0.085 0.000 0.885 108 N CB 1.115 39.713 38.487 0.184 0.000 1.062 108 N HN 0.230 8.601 8.380 -0.014 0.000 0.471 109 K N 5.655 126.100 120.400 0.076 0.000 2.063 109 K HA -0.328 4.062 4.320 0.116 0.000 0.208 109 K C 1.255 177.944 176.600 0.149 0.000 1.048 109 K CA 3.578 59.928 56.287 0.104 0.000 0.928 109 K CB -0.432 32.106 32.500 0.063 0.000 0.713 109 K HN 0.456 8.733 8.250 0.046 0.000 0.442 110 T N -0.158 114.472 114.554 0.126 0.000 2.803 110 T HA -0.255 4.179 4.350 0.139 0.000 0.269 110 T C 1.698 176.503 174.700 0.174 0.000 1.052 110 T CA 3.300 65.481 62.100 0.135 0.000 1.136 110 T CB -0.989 67.937 68.868 0.098 0.000 0.864 110 T HN 0.099 8.397 8.240 0.097 0.000 0.467 111 A N 2.246 125.197 122.820 0.219 0.000 1.832 111 A HA -0.138 4.311 4.320 0.215 0.000 0.214 111 A C 1.840 179.629 177.584 0.342 0.000 1.204 111 A CA 2.613 54.823 52.037 0.288 0.000 0.606 111 A CB -0.682 18.598 19.000 0.466 0.000 0.849 111 A HN -0.881 7.264 8.150 0.212 0.132 0.445 112 I N -2.062 118.732 120.570 0.374 0.000 2.300 112 I HA -0.591 3.969 4.170 0.650 0.000 0.252 112 I C 2.526 178.803 176.117 0.267 0.000 1.119 112 I CA 3.590 65.140 61.300 0.417 0.000 1.384 112 I CB -0.431 37.726 38.000 0.260 0.000 1.062 112 I HN -0.217 8.193 8.210 0.333 0.000 0.426 113 G N -1.524 107.405 108.800 0.214 0.000 2.434 113 G HA2 -0.380 3.630 3.960 0.083 0.000 0.214 113 G HA3 -0.380 3.757 3.960 0.295 0.000 0.214 113 G C 1.476 176.434 174.900 0.098 0.000 1.202 113 G CA 1.642 46.850 45.100 0.179 0.000 0.788 113 G HN -0.160 8.252 8.290 0.238 0.022 0.539 114 D N 2.487 122.978 120.400 0.152 0.000 2.239 114 D HA -0.310 4.391 4.640 0.100 0.000 0.202 114 D C 0.504 176.878 176.300 0.123 0.000 0.993 114 D CA 3.034 57.109 54.000 0.124 0.000 0.874 114 D CB -0.087 40.791 40.800 0.130 0.000 0.922 114 D HN -0.427 8.052 8.370 0.182 0.000 0.464 115 Y N -4.414 115.917 120.300 0.052 0.000 2.490 115 Y HA 0.044 4.795 4.550 0.046 -0.173 0.285 115 Y C -0.789 175.099 175.900 -0.020 0.000 1.117 115 Y CA 0.453 58.578 58.100 0.042 0.000 1.262 115 Y CB 1.209 39.724 38.460 0.091 0.000 1.043 115 Y HN -0.739 7.574 8.280 0.278 0.134 0.553 116 L N -0.440 120.371 121.223 -0.686 0.000 2.337 116 L HA 0.159 3.988 4.340 -0.852 0.000 0.269 116 L C -0.845 175.702 176.870 -0.538 0.000 1.018 116 L CA -0.587 53.748 54.840 -0.842 0.000 0.876 116 L CB 0.387 41.808 42.059 -1.064 0.000 1.236 116 L HN -0.443 7.428 8.230 -0.365 0.139 0.436 117 G N 1.697 110.290 108.800 -0.346 0.000 2.244 117 G HA2 -0.165 3.672 3.960 -0.204 0.000 0.163 117 G HA3 -0.165 3.681 3.960 -0.190 0.000 0.163 117 G C -0.810 174.043 174.900 -0.079 0.000 1.064 117 G CA 0.035 45.012 45.100 -0.204 0.000 0.757 117 G HN 0.418 8.520 8.290 -0.313 0.000 0.484 118 E N -1.769 118.386 120.200 -0.074 0.000 3.688 118 E HA 0.125 4.469 4.350 -0.010 0.000 0.217 118 E C -0.780 175.808 176.600 -0.020 0.000 1.289 118 E CA 0.042 56.428 56.400 -0.023 0.000 1.408 118 E CB 1.240 30.942 29.700 0.002 0.000 2.370 118 E HN -0.128 8.166 8.360 -0.111 0.000 0.584 119 R N -2.713 117.779 120.500 -0.013 0.000 4.102 119 R HA -0.008 4.316 4.340 -0.026 0.000 0.031 119 R C -1.193 175.114 176.300 0.011 0.000 0.815 119 R CA -0.154 55.941 56.100 -0.009 0.000 2.664 119 R CB -0.091 30.208 30.300 -0.001 0.000 1.047 119 R HN 0.136 8.402 8.270 -0.006 0.000 0.497 120 D N 0.702 121.123 120.400 0.035 0.000 4.105 120 D HA -0.298 4.380 4.640 0.062 0.000 0.289 120 D C -0.552 175.782 176.300 0.057 0.000 2.261 120 D CA 2.005 56.044 54.000 0.066 0.000 1.093 120 D CB -0.039 40.832 40.800 0.119 0.000 1.035 120 D HN -0.105 8.284 8.370 0.032 0.000 1.218 121 E N -0.992 119.264 120.200 0.093 0.000 2.406 121 E HA -0.043 4.328 4.350 0.036 0.000 0.204 121 E C 0.693 177.361 176.600 0.113 0.000 0.820 121 E CA 0.907 57.355 56.400 0.080 0.000 1.136 121 E CB 0.875 30.625 29.700 0.083 0.000 1.129 121 E HN 0.351 8.790 8.360 0.132 0.000 0.530 122 F N -0.019 119.950 119.950 0.032 0.000 2.270 122 F HA -0.021 4.526 4.527 0.033 0.000 0.295 122 F C 0.878 176.729 175.800 0.084 0.000 1.087 122 F CA 1.805 59.832 58.000 0.045 0.000 1.365 122 F CB 0.534 39.558 39.000 0.040 0.000 1.056 122 F HN -0.198 8.283 8.300 0.303 0.000 0.506 123 N N 0.716 119.567 118.700 0.253 0.000 2.036 123 N HA -0.358 4.644 4.740 0.437 0.000 0.195 123 N C 1.926 177.459 175.510 0.038 0.000 1.037 123 N CA 3.206 56.416 53.050 0.267 0.000 0.855 123 N CB -0.931 37.751 38.487 0.325 0.000 1.033 123 N HN 0.020 8.598 8.380 0.329 0.000 0.423 124 I N -1.113 119.431 120.570 -0.043 0.000 2.300 124 I HA -0.546 3.545 4.170 -0.131 0.000 0.252 124 I C 1.858 177.847 176.117 -0.212 0.000 1.119 124 I CA 3.435 64.648 61.300 -0.145 0.000 1.384 124 I CB -0.337 37.559 38.000 -0.172 0.000 1.062 124 I HN -0.175 8.033 8.210 -0.003 0.000 0.426 125 Q N -1.935 117.722 119.800 -0.239 0.000 2.187 125 Q HA -0.252 3.975 4.340 -0.188 0.000 0.199 125 Q C 2.189 178.078 176.000 -0.185 0.000 0.957 125 Q CA 2.953 58.602 55.803 -0.257 0.000 0.857 125 Q CB 0.344 28.852 28.738 -0.383 0.000 0.929 125 Q HN -0.274 7.693 8.270 -0.252 0.151 0.453 126 V N 0.913 120.705 119.914 -0.204 0.000 2.427 126 V HA -0.402 3.721 4.120 0.005 0.000 0.248 126 V C 1.791 178.009 176.094 0.208 0.000 1.051 126 V CA 3.905 66.226 62.300 0.035 0.000 1.048 126 V CB -0.488 31.470 31.823 0.224 0.000 0.666 126 V HN -0.210 7.693 8.190 -0.283 0.116 0.456 127 L N -1.333 119.987 121.223 0.161 0.000 2.072 127 L HA -0.363 4.139 4.340 0.271 0.000 0.205 127 L C 0.669 177.699 176.870 0.267 0.000 1.079 127 L CA 2.680 57.643 54.840 0.204 0.000 0.752 127 L CB 0.081 42.195 42.059 0.092 0.000 0.906 127 L HN -0.566 7.700 8.230 0.082 0.014 0.436 128 H N -3.610 115.479 119.070 0.031 0.000 2.457 128 H HA -0.255 4.314 4.556 0.021 0.000 0.294 128 H C 1.712 177.014 175.328 -0.044 0.000 1.064 128 H CA 1.784 57.831 56.048 -0.002 0.000 1.330 128 H CB 0.697 30.438 29.762 -0.036 0.000 1.395 128 H HN -0.817 7.597 8.280 0.223 0.000 0.541 129 A N -0.498 122.373 122.820 0.084 0.000 1.852 129 A HA -0.274 3.939 4.320 -0.179 0.000 0.217 129 A C -0.070 177.314 177.584 -0.333 0.000 1.215 129 A CA 2.604 54.592 52.037 -0.082 0.000 0.641 129 A CB 0.315 19.390 19.000 0.124 0.000 0.838 129 A HN -0.454 7.748 8.150 0.125 0.023 0.450 130 F N -3.108 116.899 119.950 0.095 0.000 2.507 130 F HA 0.110 4.660 4.527 0.037 0.000 0.328 130 F C -1.360 174.478 175.800 0.064 0.000 1.136 130 F CA -0.313 57.722 58.000 0.059 0.000 0.930 130 F CB 2.891 41.916 39.000 0.042 0.000 1.166 130 F HN -0.884 7.627 8.300 0.352 0.000 0.436 131 V N 2.934 122.956 119.914 0.179 0.000 2.622 131 V HA 0.237 4.474 4.120 0.195 0.000 0.296 131 V C -1.215 174.983 176.094 0.174 0.000 1.174 131 V CA -0.926 61.473 62.300 0.165 0.000 1.391 131 V CB -0.875 31.023 31.823 0.124 0.000 1.553 131 V HN 0.305 8.567 8.190 0.120 0.000 0.581 132 E N -0.718 119.570 120.200 0.146 0.000 3.083 132 E HA 0.127 4.667 4.350 0.316 0.000 0.168 132 E C -0.771 175.893 176.600 0.107 0.000 0.934 132 E CA -0.354 56.155 56.400 0.182 0.000 1.361 132 E CB 0.221 29.992 29.700 0.119 0.000 1.032 132 E HN -0.406 7.952 8.360 0.088 0.055 0.447 133 L N -1.893 119.264 121.223 -0.110 0.000 2.928 133 L HA 0.137 4.428 4.340 -0.082 0.000 0.246 133 L C 0.245 177.053 176.870 -0.104 0.000 1.239 133 L CA 0.633 55.309 54.840 -0.273 0.000 1.035 133 L CB 0.252 41.874 42.059 -0.728 0.000 1.360 133 L HN -0.226 7.864 8.230 -0.233 0.000 0.529 134 H N -0.800 118.390 119.070 0.200 0.000 2.505 134 H HA 0.054 4.725 4.556 0.191 0.000 0.289 134 H C -0.806 174.736 175.328 0.357 0.000 1.052 134 H CA -1.669 54.515 56.048 0.226 0.000 1.156 134 H CB -0.060 29.655 29.762 -0.078 0.000 1.507 134 H HN -0.364 8.153 8.280 0.538 0.085 0.548 135 E N -2.219 118.275 120.200 0.489 0.000 2.332 135 E HA -0.268 4.253 4.350 0.286 0.000 0.162 135 E C -1.465 175.438 176.600 0.504 0.000 1.637 135 E CA 1.079 57.702 56.400 0.372 0.000 0.654 135 E CB -0.999 28.841 29.700 0.233 0.000 1.072 135 E HN 0.255 8.760 8.360 0.381 0.083 0.336 136 F N -6.230 113.822 119.950 0.170 0.000 2.763 136 F HA 0.252 4.867 4.527 0.146 0.000 0.334 136 F C -0.423 175.571 175.800 0.324 0.000 1.279 136 F CA -1.241 56.869 58.000 0.184 0.000 0.997 136 F CB 0.087 39.148 39.000 0.102 0.000 1.397 136 F HN -0.084 8.505 8.300 0.481 0.000 0.502 137 T N 2.883 117.450 114.554 0.023 0.000 2.821 137 T HA -0.248 4.000 4.350 -0.170 0.000 0.267 137 T C 0.034 174.730 174.700 -0.007 0.000 1.046 137 T CA 3.254 65.313 62.100 -0.068 0.000 1.139 137 T CB -0.094 68.732 68.868 -0.070 0.000 0.871 137 T HN 0.069 8.366 8.240 0.094 0.000 0.454 138 D N -2.887 117.548 120.400 0.059 0.000 2.462 138 D HA 0.062 4.724 4.640 0.035 0.000 0.221 138 D C 0.041 176.405 176.300 0.107 0.000 1.173 138 D CA -0.679 53.357 54.000 0.060 0.000 0.831 138 D CB -0.012 40.813 40.800 0.041 0.000 1.001 138 D HN -0.155 8.254 8.370 0.084 0.012 0.499 139 L N -0.746 120.581 121.223 0.173 0.000 2.121 139 L HA 0.027 4.452 4.340 0.143 0.000 0.200 139 L C -0.285 176.705 176.870 0.200 0.000 1.132 139 L CA 1.254 56.209 54.840 0.191 0.000 0.782 139 L CB 1.038 43.248 42.059 0.250 0.000 0.940 139 L HN -0.784 7.379 8.230 0.205 0.190 0.458 140 N N -7.297 111.578 118.700 0.292 0.000 5.297 140 N HA -0.063 4.872 4.740 0.326 0.000 0.192 140 N C -0.720 175.021 175.510 0.387 0.000 1.119 140 N CA -0.263 52.973 53.050 0.309 0.000 0.829 140 N CB 0.681 39.295 38.487 0.212 0.000 1.577 140 N HN -0.454 8.155 8.380 0.382 0.000 0.541 141 L N 1.192 122.683 121.223 0.447 0.000 1.956 141 L HA -0.272 4.362 4.340 0.489 0.000 0.216 141 L C 1.335 178.287 176.870 0.137 0.000 1.073 141 L CA 3.989 59.051 54.840 0.370 0.000 0.762 141 L CB -0.444 41.802 42.059 0.311 0.000 0.889 141 L HN 0.338 8.874 8.230 0.510 0.000 0.433 142 V N -1.127 118.852 119.914 0.109 0.000 2.231 142 V HA -0.474 3.597 4.120 -0.082 0.000 0.248 142 V C 2.420 178.471 176.094 -0.071 0.000 1.054 142 V CA 3.914 66.204 62.300 -0.018 0.000 1.015 142 V CB -1.117 30.704 31.823 -0.003 0.000 0.638 142 V HN -0.084 8.222 8.190 0.194 0.000 0.444 143 Q N -2.609 117.193 119.800 0.003 0.000 2.268 143 Q HA -0.438 3.885 4.340 -0.029 0.000 0.210 143 Q C 2.007 177.954 176.000 -0.088 0.000 0.988 143 Q CA 3.449 59.247 55.803 -0.008 0.000 0.883 143 Q CB -0.779 27.999 28.738 0.066 0.000 0.911 143 Q HN 0.496 8.803 8.270 0.063 0.000 0.430 144 A N -2.496 120.240 122.820 -0.139 0.000 1.970 144 A HA -0.104 3.977 4.320 -0.398 0.000 0.216 144 A C 1.200 178.244 177.584 -0.900 0.000 1.170 144 A CA 2.000 53.771 52.037 -0.443 0.000 0.645 144 A CB -0.295 18.484 19.000 -0.369 0.000 0.816 144 A HN -0.501 7.481 8.150 -0.027 0.151 0.447 145 L N -3.461 117.297 121.223 -0.775 0.000 2.610 145 L HA -0.159 2.984 4.340 -1.996 0.000 0.232 145 L C 1.115 177.787 176.870 -0.331 0.000 1.149 145 L CA 1.165 55.468 54.840 -0.896 0.000 0.872 145 L CB -0.504 41.241 42.059 -0.522 0.000 0.992 145 L HN -0.348 7.486 8.230 -0.466 0.117 0.447 146 R N -0.695 119.645 120.500 -0.266 0.000 2.041 146 R HA -0.123 4.042 4.340 -0.291 0.000 0.221 146 R C -0.600 175.528 176.300 -0.287 0.000 1.196 146 R CA 2.305 58.255 56.100 -0.249 0.000 0.969 146 R CB 1.374 31.569 30.300 -0.175 0.000 0.858 146 R HN -0.839 7.064 8.270 -0.298 0.189 0.444 147 Q N -0.922 118.827 119.800 -0.084 0.000 2.560 147 Q HA 0.076 4.407 4.340 -0.014 0.000 0.238 147 Q C -1.275 174.803 176.000 0.130 0.000 1.079 147 Q CA -0.695 55.159 55.803 0.085 0.000 0.866 147 Q CB 0.229 29.163 28.738 0.325 0.000 1.153 147 Q HN -0.543 7.686 8.270 -0.069 0.000 0.530 148 F N 1.377 121.191 119.950 -0.226 0.000 2.763 148 F HA 0.328 4.637 4.527 -0.364 0.000 0.334 148 F C -2.341 173.457 175.800 -0.003 0.000 1.279 148 F CA -0.925 56.871 58.000 -0.341 0.000 0.997 148 F CB -0.161 38.411 39.000 -0.713 0.000 1.397 148 F HN -0.310 8.077 8.300 0.146 0.000 0.502 149 L N -2.465 118.545 121.223 -0.355 0.000 3.439 149 L HA 0.213 4.582 4.340 0.048 0.000 0.313 149 L C -1.613 174.795 176.870 -0.770 0.000 1.292 149 L CA -0.335 54.244 54.840 -0.435 0.000 1.020 149 L CB -0.051 41.613 42.059 -0.657 0.000 1.424 149 L HN -0.527 7.586 8.230 -0.195 0.000 0.612 150 W N -1.712 119.340 121.300 -0.412 0.000 2.767 150 W HA 0.053 4.350 4.660 -0.606 0.000 0.375 150 W C -0.891 175.421 176.519 -0.344 0.000 1.461 150 W CA -1.123 55.964 57.345 -0.429 0.000 1.415 150 W CB 2.605 32.005 29.460 -0.100 0.000 1.581 150 W HN -0.720 7.515 8.180 0.091 0.000 0.672 151 S N -2.820 113.039 115.700 0.266 0.000 3.635 151 S HA -0.283 4.227 4.470 0.066 0.000 0.328 151 S C -1.159 173.617 174.600 0.292 0.000 1.135 151 S CA 1.295 59.601 58.200 0.177 0.000 0.942 151 S CB -1.075 62.251 63.200 0.210 0.000 0.930 151 S HN 0.467 9.002 8.310 0.375 0.000 0.512 152 F N -7.206 112.876 119.950 0.219 0.000 2.225 152 F HA 0.116 4.704 4.527 0.102 0.000 0.424 152 F C -1.414 174.456 175.800 0.117 0.000 0.848 152 F CA -0.930 57.141 58.000 0.118 0.000 0.855 152 F CB 1.163 40.184 39.000 0.035 0.000 1.166 152 F HN -0.574 7.704 8.300 -0.003 0.021 0.566 153 R N 0.456 120.680 120.500 -0.459 0.000 1.156 153 R HA -0.294 3.764 4.340 -0.469 0.000 0.422 153 R C -2.203 174.134 176.300 0.062 0.000 1.346 153 R CA 0.384 56.349 56.100 -0.224 0.000 1.139 153 R CB -0.075 30.255 30.300 0.050 0.000 3.355 153 R HN -0.237 7.274 8.270 -1.265 0.000 0.502 154 L N 4.650 125.850 121.223 -0.039 0.000 2.360 154 L HA 0.568 5.048 4.340 0.233 0.000 0.265 154 L C -2.081 174.798 176.870 0.015 0.000 1.066 154 L CA -3.199 51.708 54.840 0.111 0.000 0.929 154 L CB 2.113 44.229 42.059 0.096 0.000 1.306 154 L HN 0.368 8.442 8.230 -0.260 0.000 0.434 155 P HA 0.119 4.540 4.420 0.001 0.000 0.271 155 P C 0.111 177.418 177.300 0.012 0.000 1.226 155 P CA 0.322 63.432 63.100 0.017 0.000 0.765 155 P CB 0.048 31.767 31.700 0.032 0.000 0.835 156 G N 2.625 111.426 108.800 0.001 0.000 2.428 156 G HA2 -0.160 3.803 3.960 0.005 0.000 0.199 156 G HA3 -0.160 3.806 3.960 0.009 0.000 0.199 156 G C -1.118 173.782 174.900 -0.000 0.000 1.005 156 G CA -0.406 44.697 45.100 0.004 0.000 0.671 156 G HN 0.235 8.522 8.290 -0.006 0.000 0.485 157 E N -1.793 118.400 120.200 -0.011 0.000 7.174 157 E HA -0.473 3.852 4.350 -0.041 0.000 0.185 157 E C -0.922 175.685 176.600 0.011 0.000 1.447 157 E CA 0.378 56.768 56.400 -0.017 0.000 2.477 157 E CB -1.396 28.294 29.700 -0.017 0.000 1.696 157 E HN -0.529 7.758 8.360 -0.017 0.062 0.481 158 A N 1.284 124.119 122.820 0.026 0.000 2.532 158 A HA -0.177 4.212 4.320 0.116 0.000 0.269 158 A C -0.139 177.494 177.584 0.082 0.000 1.079 158 A CA 2.015 54.105 52.037 0.089 0.000 0.800 158 A CB -0.791 18.281 19.000 0.119 0.000 1.000 158 A HN 0.082 8.235 8.150 0.005 0.000 0.522 159 Q N 2.686 122.533 119.800 0.079 0.000 1.885 159 Q HA -0.036 4.332 4.340 0.047 0.000 0.159 159 Q C 0.623 176.648 176.000 0.042 0.000 0.688 159 Q CA 1.185 57.018 55.803 0.049 0.000 0.776 159 Q CB 0.612 29.369 28.738 0.032 0.000 1.171 159 Q HN 0.082 8.408 8.270 0.094 0.000 0.355 160 K N -0.308 120.119 120.400 0.045 0.000 2.276 160 K HA 0.068 4.406 4.320 0.029 0.000 0.198 160 K C 1.651 178.288 176.600 0.061 0.000 1.052 160 K CA 1.178 57.487 56.287 0.037 0.000 0.984 160 K CB 0.801 33.312 32.500 0.018 0.000 0.836 160 K HN -0.465 7.813 8.250 0.046 0.000 0.490 161 I N -1.498 119.125 120.570 0.089 0.000 2.315 161 I HA -0.535 3.696 4.170 0.103 0.000 0.251 161 I C 1.361 177.580 176.117 0.171 0.000 1.125 161 I CA 3.469 64.851 61.300 0.137 0.000 1.392 161 I CB -0.453 37.659 38.000 0.187 0.000 1.065 161 I HN 0.058 8.319 8.210 0.083 0.000 0.424 162 D N -0.821 119.646 120.400 0.112 0.000 2.108 162 D HA -0.359 4.255 4.640 -0.044 0.000 0.190 162 D C 2.253 178.628 176.300 0.125 0.000 0.995 162 D CA 4.034 58.055 54.000 0.035 0.000 0.834 162 D CB -0.474 40.291 40.800 -0.057 0.000 0.967 162 D HN -0.047 8.354 8.370 0.099 0.029 0.446 163 R N -1.213 119.335 120.500 0.080 0.000 2.080 163 R HA -0.299 4.068 4.340 0.045 0.000 0.236 163 R C 2.622 179.001 176.300 0.131 0.000 1.137 163 R CA 3.054 59.201 56.100 0.079 0.000 0.943 163 R CB -0.216 30.120 30.300 0.061 0.000 0.846 163 R HN -0.652 7.652 8.270 0.056 0.000 0.431 164 M N -0.816 118.868 119.600 0.140 0.000 2.260 164 M HA -0.435 4.151 4.480 0.176 0.000 0.261 164 M C 2.293 178.753 176.300 0.267 0.000 1.066 164 M CA 3.895 59.300 55.300 0.175 0.000 1.082 164 M CB -0.059 32.615 32.600 0.124 0.000 1.388 164 M HN -0.560 7.796 8.290 0.110 0.000 0.419 165 M N -1.865 117.909 119.600 0.291 0.000 2.193 165 M HA -0.248 4.460 4.480 0.381 0.000 0.265 165 M C 1.978 178.589 176.300 0.519 0.000 1.071 165 M CA 1.962 57.509 55.300 0.412 0.000 1.140 165 M CB -1.387 31.447 32.600 0.390 0.000 1.369 165 M HN -0.132 8.151 8.290 0.249 0.156 0.423 166 E N 0.400 120.757 120.200 0.261 0.000 2.070 166 E HA -0.406 3.667 4.350 -0.461 0.000 0.197 166 E C 2.267 178.875 176.600 0.013 0.000 1.004 166 E CA 3.381 59.697 56.400 -0.140 0.000 0.805 166 E CB 0.044 29.554 29.700 -0.315 0.000 0.744 166 E HN -0.468 7.952 8.360 0.234 0.080 0.451 167 A N -2.586 120.266 122.820 0.053 0.000 2.014 167 A HA -0.148 4.100 4.320 -0.121 0.000 0.218 167 A C 1.377 179.031 177.584 0.117 0.000 1.163 167 A CA 2.318 54.338 52.037 -0.028 0.000 0.652 167 A CB -0.418 18.477 19.000 -0.175 0.000 0.808 167 A HN -0.508 7.696 8.150 0.090 0.000 0.449 168 F N 1.190 121.218 119.950 0.131 0.000 2.025 168 F HA -0.523 4.138 4.527 0.223 0.000 0.297 168 F C 0.912 176.871 175.800 0.264 0.000 1.132 168 F CA 3.582 61.713 58.000 0.218 0.000 1.191 168 F CB -0.088 39.063 39.000 0.252 0.000 0.963 168 F HN -0.681 7.746 8.300 0.424 0.128 0.481 169 A N -2.251 120.727 122.820 0.262 0.000 1.930 169 A HA -0.344 3.897 4.320 -0.133 0.000 0.217 169 A C 2.164 179.766 177.584 0.030 0.000 1.175 169 A CA 2.643 54.743 52.037 0.105 0.000 0.627 169 A CB -0.726 18.488 19.000 0.357 0.000 0.815 169 A HN -0.254 8.308 8.150 0.687 0.000 0.443 170 Q N -2.549 117.274 119.800 0.039 0.000 2.197 170 Q HA -0.338 3.991 4.340 -0.018 0.000 0.207 170 Q C 2.129 178.096 176.000 -0.056 0.000 0.984 170 Q CA 2.872 58.660 55.803 -0.026 0.000 0.869 170 Q CB 0.121 28.819 28.738 -0.067 0.000 0.906 170 Q HN -0.578 7.748 8.270 0.092 0.000 0.426 171 R N -3.808 116.658 120.500 -0.057 0.000 2.225 171 R HA 0.034 4.329 4.340 -0.074 0.000 0.194 171 R C 1.763 178.026 176.300 -0.062 0.000 0.949 171 R CA 1.017 57.081 56.100 -0.061 0.000 1.088 171 R CB 1.602 31.873 30.300 -0.048 0.000 1.106 171 R HN -0.450 7.771 8.270 -0.041 0.024 0.566 172 Y N 3.501 123.650 120.300 -0.251 0.000 2.569 172 Y HA -0.212 4.229 4.550 -0.284 -0.061 0.293 172 Y C 1.534 177.274 175.900 -0.267 0.000 1.144 172 Y CA 1.167 59.055 58.100 -0.352 0.000 1.321 172 Y CB -0.557 37.481 38.460 -0.704 0.000 0.982 172 Y HN 0.479 8.618 8.280 -0.064 0.103 0.558 173 C N 1.136 120.259 119.300 -0.296 0.000 2.397 173 C HA -0.523 3.778 4.460 -0.263 0.000 0.282 173 C C 1.904 176.699 174.990 -0.324 0.000 1.252 173 C CA 3.157 62.015 59.018 -0.267 0.000 1.811 173 C CB -1.962 25.712 27.740 -0.109 0.000 2.027 173 C HN -0.110 7.964 8.230 -0.158 0.061 0.503 174 Q N 0.027 119.648 119.800 -0.299 0.000 2.197 174 Q HA -0.345 3.895 4.340 -0.166 0.000 0.207 174 Q C 1.338 177.151 176.000 -0.312 0.000 0.984 174 Q CA 2.854 58.516 55.803 -0.236 0.000 0.869 174 Q CB -0.369 28.272 28.738 -0.161 0.000 0.906 174 Q HN -0.468 7.611 8.270 -0.257 0.037 0.426 175 C N -4.629 114.327 119.300 -0.574 0.000 2.403 175 C HA -0.406 3.828 4.460 -0.377 0.000 0.279 175 C C 0.465 175.266 174.990 -0.315 0.000 1.269 175 C CA 1.647 60.331 59.018 -0.557 0.000 1.774 175 C CB 0.444 27.505 27.740 -1.132 0.000 1.993 175 C HN 0.245 7.845 8.230 -0.822 0.137 0.496 176 N N -0.547 117.986 118.700 -0.278 0.000 3.166 176 N HA 0.034 4.692 4.740 -0.136 0.000 0.242 176 N C -0.245 175.194 175.510 -0.119 0.000 1.017 176 N CA 0.659 53.616 53.050 -0.155 0.000 1.113 176 N CB 2.611 41.032 38.487 -0.110 0.000 1.629 176 N HN -0.140 7.892 8.380 -0.351 0.137 0.601 177 N N -0.525 118.116 118.700 -0.099 0.000 2.556 177 N HA -0.258 4.449 4.740 -0.054 0.000 0.276 177 N C -0.056 175.426 175.510 -0.048 0.000 1.259 177 N CA 0.868 53.877 53.050 -0.068 0.000 0.654 177 N CB -1.585 36.856 38.487 -0.077 0.000 0.889 177 N HN -0.036 8.287 8.380 -0.096 0.000 0.547 178 G N -1.181 107.604 108.800 -0.026 0.000 2.316 178 G HA2 -0.418 3.536 3.960 -0.010 0.000 0.203 178 G HA3 -0.418 3.520 3.960 -0.036 0.000 0.203 178 G C 0.322 175.194 174.900 -0.045 0.000 0.999 178 G CA 0.168 45.253 45.100 -0.026 0.000 0.649 178 G HN 0.477 8.766 8.290 -0.002 0.000 0.489 179 V N 1.076 120.938 119.914 -0.087 0.000 2.323 179 V HA -0.279 3.736 4.120 -0.175 0.000 0.244 179 V C 0.069 176.016 176.094 -0.246 0.000 1.041 179 V CA 2.080 64.257 62.300 -0.205 0.000 1.025 179 V CB -0.074 31.558 31.823 -0.320 0.000 0.656 179 V HN 0.239 8.318 8.190 -0.075 0.066 0.451 180 F N -3.580 116.375 119.950 0.007 0.000 2.974 180 F HA 0.127 4.675 4.527 0.035 0.000 0.292 180 F C 0.137 175.951 175.800 0.023 0.000 1.209 180 F CA -1.347 56.671 58.000 0.031 0.000 1.366 180 F CB -0.837 38.199 39.000 0.061 0.000 1.033 180 F HN -0.323 8.029 8.300 0.086 0.000 0.516 181 Q N -1.564 118.310 119.800 0.123 0.000 2.359 181 Q HA -0.564 3.804 4.340 0.047 0.000 0.183 181 Q C -0.436 175.606 176.000 0.070 0.000 2.894 181 Q CA 3.369 59.222 55.803 0.083 0.000 0.213 181 Q CB -1.292 27.504 28.738 0.096 0.000 0.241 181 Q HN -0.139 8.066 8.270 0.054 0.097 0.390 182 S N -2.694 113.062 115.700 0.093 0.000 5.328 182 S HA 0.139 4.634 4.470 0.042 0.000 0.141 182 S C -0.769 173.874 174.600 0.072 0.000 1.049 182 S CA 1.232 59.468 58.200 0.061 0.000 1.374 182 S CB 1.310 64.533 63.200 0.040 0.000 2.027 182 S HN 0.329 8.673 8.310 0.130 0.044 0.659 183 T N -2.481 112.120 114.554 0.078 0.000 3.608 183 T HA 0.058 4.463 4.350 0.091 0.000 0.293 183 T C 0.561 175.331 174.700 0.115 0.000 0.933 183 T CA 1.165 63.314 62.100 0.081 0.000 1.081 183 T CB 0.561 69.452 68.868 0.039 0.000 1.166 183 T HN 0.037 8.323 8.240 0.076 0.000 0.500 184 D N 3.230 123.690 120.400 0.100 0.000 2.133 184 D HA -0.342 4.393 4.640 0.158 0.000 0.192 184 D C 1.724 178.126 176.300 0.170 0.000 1.001 184 D CA 4.051 58.133 54.000 0.137 0.000 0.844 184 D CB -0.472 40.383 40.800 0.092 0.000 0.944 184 D HN 0.353 8.766 8.370 0.071 0.000 0.447 185 T N 0.593 115.221 114.554 0.122 0.000 2.746 185 T HA -0.291 4.104 4.350 0.075 0.000 0.267 185 T C 1.632 176.334 174.700 0.002 0.000 1.039 185 T CA 4.817 66.972 62.100 0.093 0.000 1.142 185 T CB -0.721 68.239 68.868 0.154 0.000 0.866 185 T HN 0.297 8.605 8.240 0.118 0.002 0.444 186 C N 0.900 120.189 119.300 -0.017 0.000 2.413 186 C HA -0.299 3.749 4.460 -0.687 0.000 0.277 186 C C 1.325 176.352 174.990 0.060 0.000 1.265 186 C CA 4.252 63.162 59.018 -0.179 0.000 1.752 186 C CB -0.459 27.275 27.740 -0.010 0.000 1.998 186 C HN -0.692 7.506 8.230 0.082 0.081 0.489 187 Y N 1.201 121.542 120.300 0.068 0.000 2.109 187 Y HA -0.385 4.294 4.550 0.215 0.000 0.281 187 Y C 0.975 176.923 175.900 0.081 0.000 1.113 187 Y CA 3.775 61.949 58.100 0.123 0.000 1.098 187 Y CB -0.241 38.281 38.460 0.103 0.000 0.996 187 Y HN -0.284 8.069 8.280 0.281 0.096 0.485 188 V N -0.822 118.955 119.914 -0.228 0.000 2.370 188 V HA -0.542 3.170 4.120 -0.681 0.000 0.252 188 V C 2.107 178.094 176.094 -0.178 0.000 1.068 188 V CA 4.483 66.594 62.300 -0.316 0.000 1.061 188 V CB -0.683 31.131 31.823 -0.016 0.000 0.656 188 V HN -0.093 8.259 8.190 0.271 0.000 0.455 189 L N -0.902 120.260 121.223 -0.102 0.000 2.027 189 L HA -0.389 3.927 4.340 -0.040 0.000 0.206 189 L C 1.177 178.048 176.870 0.002 0.000 1.074 189 L CA 3.290 58.100 54.840 -0.050 0.000 0.745 189 L CB -0.418 41.587 42.059 -0.089 0.000 0.898 189 L HN 0.119 8.185 8.230 -0.080 0.116 0.433 190 S N 0.222 115.883 115.700 -0.065 0.000 2.380 190 S HA -0.509 3.908 4.470 -0.089 0.000 0.229 190 S C 1.971 176.532 174.600 -0.065 0.000 1.050 190 S CA 3.990 62.136 58.200 -0.089 0.000 1.100 190 S CB -0.275 62.842 63.200 -0.138 0.000 0.984 190 S HN -0.599 7.592 8.310 -0.088 0.066 0.434 191 F N 1.223 121.032 119.950 -0.235 0.000 2.126 191 F HA -0.417 4.021 4.527 -0.147 0.000 0.299 191 F C 0.910 176.658 175.800 -0.086 0.000 1.096 191 F CA 3.196 61.087 58.000 -0.182 0.000 1.255 191 F CB -0.021 38.823 39.000 -0.260 0.000 0.997 191 F HN -0.591 7.674 8.300 -0.057 0.000 0.479 192 A N -1.766 121.104 122.820 0.084 0.000 1.958 192 A HA -0.371 3.998 4.320 0.082 0.000 0.221 192 A C 2.045 179.688 177.584 0.100 0.000 1.178 192 A CA 3.057 55.164 52.037 0.117 0.000 0.642 192 A CB -0.915 18.194 19.000 0.182 0.000 0.816 192 A HN -0.335 7.800 8.150 0.094 0.071 0.453 193 I N -2.314 118.288 120.570 0.055 0.000 2.400 193 I HA -0.460 3.601 4.170 -0.181 0.000 0.248 193 I C 1.558 177.570 176.117 -0.175 0.000 1.109 193 I CA 3.284 64.520 61.300 -0.106 0.000 1.425 193 I CB 0.023 37.944 38.000 -0.133 0.000 1.094 193 I HN -0.722 7.406 8.210 0.070 0.124 0.425 194 I N 0.774 121.200 120.570 -0.240 0.000 2.248 194 I HA -0.611 3.429 4.170 -0.216 0.000 0.248 194 I C 2.355 178.277 176.117 -0.326 0.000 1.107 194 I CA 4.647 65.768 61.300 -0.297 0.000 1.373 194 I CB -0.444 37.321 38.000 -0.391 0.000 1.055 194 I HN -0.081 7.929 8.210 -0.224 0.066 0.418 195 M N -1.517 117.854 119.600 -0.382 0.000 2.156 195 M HA -0.335 3.966 4.480 -0.299 0.000 0.264 195 M C 2.108 178.318 176.300 -0.150 0.000 1.067 195 M CA 3.828 58.957 55.300 -0.285 0.000 1.131 195 M CB -0.300 32.143 32.600 -0.261 0.000 1.368 195 M HN -0.022 8.004 8.290 -0.416 0.015 0.416 196 L N -0.506 120.648 121.223 -0.116 0.000 1.944 196 L HA -0.462 3.846 4.340 -0.052 0.000 0.218 196 L C 1.510 178.372 176.870 -0.014 0.000 1.075 196 L CA 4.033 58.837 54.840 -0.060 0.000 0.767 196 L CB -0.747 41.253 42.059 -0.098 0.000 0.890 196 L HN -0.447 7.623 8.230 -0.130 0.081 0.434 197 N N -2.689 115.999 118.700 -0.020 0.000 2.037 197 N HA -0.476 4.314 4.740 0.084 0.000 0.196 197 N C 1.814 177.322 175.510 -0.002 0.000 1.034 197 N CA 3.583 56.638 53.050 0.008 0.000 0.861 197 N CB -0.117 38.333 38.487 -0.063 0.000 1.039 197 N HN -0.039 8.305 8.380 -0.060 0.000 0.427 198 T N 1.277 115.789 114.554 -0.069 0.000 2.516 198 T HA -0.437 4.024 4.350 -0.059 -0.147 0.261 198 T C 1.478 176.150 174.700 -0.046 0.000 1.130 198 T CA 4.027 66.085 62.100 -0.071 0.000 1.193 198 T CB -0.405 68.393 68.868 -0.116 0.000 0.864 198 T HN -0.577 7.599 8.240 -0.108 0.000 0.410 199 S N 1.111 116.775 115.700 -0.059 0.000 2.402 199 S HA -0.333 4.235 4.470 -0.049 -0.127 0.233 199 S C 2.554 177.114 174.600 -0.067 0.000 1.030 199 S CA 2.451 60.619 58.200 -0.053 0.000 1.003 199 S CB 0.200 63.370 63.200 -0.050 0.000 0.813 199 S HN -0.189 8.075 8.310 -0.076 0.000 0.477 200 L N 1.279 122.460 121.223 -0.071 0.000 1.943 200 L HA -0.283 3.949 4.340 -0.180 0.000 0.215 200 L C 0.772 177.430 176.870 -0.354 0.000 1.074 200 L CA 2.958 57.685 54.840 -0.188 0.000 0.759 200 L CB 0.561 42.558 42.059 -0.104 0.000 0.888 200 L HN 0.098 8.082 8.230 -0.038 0.223 0.433 201 H N -3.395 115.665 119.070 -0.017 0.000 2.439 201 H HA 0.175 4.728 4.556 -0.004 0.000 0.239 201 H C -1.664 173.654 175.328 -0.016 0.000 1.432 201 H CA -1.040 55.002 56.048 -0.010 0.000 1.373 201 H CB -0.855 28.907 29.762 0.000 0.000 1.463 201 H HN -0.237 8.094 8.280 0.086 0.000 0.530 202 N N 2.026 120.750 118.700 0.039 0.000 2.264 202 N HA 0.242 4.999 4.740 0.027 0.000 0.288 202 N C -2.269 173.241 175.510 -0.001 0.000 1.094 202 N CA -1.827 51.232 53.050 0.014 0.000 0.817 202 N CB 3.330 41.810 38.487 -0.013 0.000 1.604 202 N HN -0.642 7.736 8.380 -0.003 0.000 0.473 203 P HA 0.023 4.438 4.420 -0.009 0.000 0.221 203 P C 0.650 177.939 177.300 -0.018 0.000 1.155 203 P CA 1.779 64.872 63.100 -0.012 0.000 0.812 203 P CB 0.717 32.406 31.700 -0.017 0.000 0.801 204 N N -0.536 118.152 118.700 -0.021 0.000 2.336 204 N HA -0.036 4.692 4.740 -0.020 0.000 0.189 204 N C -1.087 174.410 175.510 -0.022 0.000 1.113 204 N CA 1.488 54.525 53.050 -0.022 0.000 0.858 204 N CB 0.213 38.685 38.487 -0.024 0.000 0.970 204 N HN 0.425 8.792 8.380 -0.021 0.000 0.471 205 V N -3.451 116.449 119.914 -0.024 0.000 2.872 205 V HA 0.009 4.114 4.120 -0.024 0.000 0.367 205 V C -1.770 174.306 176.094 -0.030 0.000 1.343 205 V CA -1.735 60.548 62.300 -0.027 0.000 1.219 205 V CB -0.406 31.397 31.823 -0.034 0.000 1.308 205 V HN -0.603 7.397 8.190 -0.023 0.176 0.610 206 K N 1.652 122.036 120.400 -0.027 0.000 2.258 206 K HA -0.356 4.013 4.320 -0.037 -0.071 0.266 206 K C -0.995 175.586 176.600 -0.033 0.000 1.204 206 K CA 1.969 58.238 56.287 -0.030 0.000 1.206 206 K CB -0.967 31.519 32.500 -0.023 0.000 0.854 206 K HN -0.367 7.869 8.250 -0.023 0.000 0.453 207 D N 4.023 124.397 120.400 -0.044 0.000 2.829 207 D HA 0.135 4.757 4.640 -0.030 0.000 0.250 207 D C -1.124 175.148 176.300 -0.047 0.000 1.304 207 D CA 0.413 54.390 54.000 -0.038 0.000 1.197 207 D CB 2.076 42.856 40.800 -0.034 0.000 1.501 207 D HN -0.250 8.087 8.370 -0.056 0.000 0.424 208 K N 0.110 120.468 120.400 -0.071 0.000 3.510 208 K HA -0.215 4.021 4.320 -0.140 0.000 0.275 208 K C -2.426 174.157 176.600 -0.029 0.000 1.094 208 K CA -0.058 56.178 56.287 -0.085 0.000 0.822 208 K CB -0.929 31.521 32.500 -0.083 0.000 1.351 208 K HN -0.208 7.890 8.250 -0.079 0.105 0.458 209 P HA 0.024 4.438 4.420 -0.010 0.000 0.271 209 P C -1.163 176.169 177.300 0.053 0.000 1.238 209 P CA -0.155 62.946 63.100 0.002 0.000 0.794 209 P CB 0.504 32.189 31.700 -0.026 0.000 0.959 210 T N -0.072 114.485 114.554 0.005 0.000 2.949 210 T HA 0.094 4.550 4.350 0.178 0.000 0.287 210 T C 0.712 175.343 174.700 -0.115 0.000 1.034 210 T CA -1.323 60.806 62.100 0.049 0.000 1.018 210 T CB 1.416 70.310 68.868 0.042 0.000 1.135 210 T HN -0.209 8.014 8.240 -0.028 0.000 0.532 211 V N 3.422 123.345 119.914 0.016 0.000 2.515 211 V HA -0.339 3.396 4.120 -0.641 0.000 0.250 211 V C 1.205 177.287 176.094 -0.020 0.000 1.058 211 V CA 3.022 65.263 62.300 -0.098 0.000 1.064 211 V CB 0.223 32.187 31.823 0.234 0.000 0.675 211 V HN 0.375 8.685 8.190 0.199 0.000 0.461 212 E N -0.481 119.728 120.200 0.014 0.000 2.038 212 E HA -0.313 4.056 4.350 0.031 0.000 0.195 212 E C 2.187 178.788 176.600 0.002 0.000 1.000 212 E CA 3.887 60.297 56.400 0.018 0.000 0.803 212 E CB -0.264 29.447 29.700 0.018 0.000 0.750 212 E HN 0.266 8.622 8.360 0.028 0.022 0.448 213 R N -1.323 119.168 120.500 -0.014 0.000 2.096 213 R HA -0.322 4.009 4.340 -0.015 0.000 0.240 213 R C 2.158 178.459 176.300 0.002 0.000 1.139 213 R CA 3.126 59.217 56.100 -0.015 0.000 0.952 213 R CB -0.525 29.761 30.300 -0.024 0.000 0.854 213 R HN -0.075 8.182 8.270 -0.022 0.000 0.436 214 F N -0.095 119.737 119.950 -0.196 0.000 2.043 214 F HA -0.333 4.095 4.527 -0.165 0.000 0.297 214 F C 1.819 177.560 175.800 -0.097 0.000 1.118 214 F CA 3.027 60.914 58.000 -0.188 0.000 1.202 214 F CB -0.228 38.585 39.000 -0.312 0.000 0.965 214 F HN -0.923 7.383 8.300 0.010 0.000 0.482 215 I N -2.049 118.492 120.570 -0.049 0.000 2.315 215 I HA -0.658 3.403 4.170 -0.181 0.000 0.251 215 I C 1.365 177.407 176.117 -0.126 0.000 1.125 215 I CA 4.632 65.868 61.300 -0.106 0.000 1.392 215 I CB -0.392 37.604 38.000 -0.008 0.000 1.065 215 I HN -0.312 7.948 8.210 0.083 0.000 0.424 216 A N -1.623 121.144 122.820 -0.088 0.000 1.972 216 A HA -0.271 4.015 4.320 -0.057 0.000 0.219 216 A C 1.044 178.567 177.584 -0.101 0.000 1.169 216 A CA 2.746 54.740 52.037 -0.071 0.000 0.635 216 A CB -0.700 18.275 19.000 -0.042 0.000 0.810 216 A HN -0.645 7.325 8.150 -0.059 0.145 0.446 217 M N -2.755 116.748 119.600 -0.162 0.000 2.287 217 M HA -0.290 4.125 4.480 -0.108 0.000 0.266 217 M C 1.267 177.431 176.300 -0.227 0.000 1.079 217 M CA 3.037 58.231 55.300 -0.176 0.000 1.146 217 M CB 0.972 33.462 32.600 -0.183 0.000 1.374 217 M HN -0.192 7.823 8.290 -0.191 0.161 0.435 218 N N 0.588 119.073 118.700 -0.357 0.000 2.120 218 N HA -0.233 4.412 4.740 -0.277 -0.071 0.188 218 N C 1.423 176.849 175.510 -0.141 0.000 1.024 218 N CA 2.894 55.766 53.050 -0.297 0.000 0.852 218 N CB 0.736 38.997 38.487 -0.377 0.000 1.003 218 N HN 0.080 8.114 8.380 -0.458 0.071 0.424 219 R N -0.580 119.850 120.500 -0.116 0.000 4.113 219 R HA -0.161 4.150 4.340 -0.049 0.000 0.179 219 R C 0.034 176.303 176.300 -0.050 0.000 1.781 219 R CA 0.691 56.753 56.100 -0.063 0.000 1.402 219 R CB -2.096 28.174 30.300 -0.050 0.000 1.375 219 R HN -0.005 8.070 8.270 -0.141 0.110 0.786 220 G N 1.279 110.052 108.800 -0.045 0.000 3.859 220 G HA2 -0.060 3.888 3.960 -0.020 0.000 0.198 220 G HA3 -0.060 3.880 3.960 -0.034 0.000 0.198 220 G C -0.589 174.298 174.900 -0.023 0.000 0.972 220 G CA 0.415 45.497 45.100 -0.030 0.000 0.882 220 G HN 0.151 8.348 8.290 -0.048 0.063 0.364 221 I N -0.920 119.628 120.570 -0.037 0.000 2.500 221 I HA -0.150 4.016 4.170 -0.006 0.000 0.252 221 I C 0.884 177.004 176.117 0.004 0.000 1.142 221 I CA 1.788 63.076 61.300 -0.020 0.000 1.451 221 I CB -0.123 37.850 38.000 -0.044 0.000 1.093 221 I HN -0.541 7.632 8.210 -0.063 0.000 0.430 222 N N -0.414 118.287 118.700 0.002 0.000 2.272 222 N HA -0.210 4.568 4.740 0.063 0.000 0.185 222 N C 0.534 176.067 175.510 0.037 0.000 1.014 222 N CA 1.865 54.937 53.050 0.037 0.000 0.870 222 N CB -0.008 38.500 38.487 0.035 0.000 0.975 222 N HN -0.472 7.894 8.380 -0.022 0.000 0.433 223 D N -5.477 114.935 120.400 0.020 0.000 3.079 223 D HA -0.267 4.381 4.640 0.012 0.000 0.214 223 D C -0.214 176.097 176.300 0.017 0.000 1.145 223 D CA 1.565 55.576 54.000 0.019 0.000 0.958 223 D CB -0.695 40.121 40.800 0.027 0.000 1.117 223 D HN -0.472 7.874 8.370 0.009 0.029 0.416 224 G N -5.879 102.931 108.800 0.017 0.000 3.033 224 G HA2 -0.133 3.831 3.960 0.008 0.000 0.208 224 G HA3 -0.133 3.835 3.960 0.014 0.000 0.208 224 G C 0.627 175.537 174.900 0.016 0.000 1.006 224 G CA 0.093 45.201 45.100 0.014 0.000 0.808 224 G HN -0.008 8.229 8.290 0.018 0.063 0.499 225 G N 0.451 109.269 108.800 0.030 0.000 2.440 225 G HA2 -0.258 3.717 3.960 0.025 0.000 0.218 225 G HA3 -0.258 3.739 3.960 0.061 0.000 0.218 225 G C 0.245 175.156 174.900 0.018 0.000 1.154 225 G CA 0.973 46.093 45.100 0.034 0.000 0.767 225 G HN -0.479 7.728 8.290 0.038 0.106 0.552 226 D N -3.063 117.347 120.400 0.017 0.000 3.671 226 D HA -0.283 4.356 4.640 -0.001 0.000 0.204 226 D C -0.963 175.342 176.300 0.010 0.000 1.267 226 D CA 2.488 56.491 54.000 0.005 0.000 2.305 226 D CB -0.133 40.667 40.800 0.000 0.000 1.237 226 D HN 0.093 8.476 8.370 0.021 0.000 0.443 227 L N -4.216 117.011 121.223 0.006 0.000 2.149 227 L HA -0.199 4.120 4.340 -0.035 0.000 0.464 227 L C -2.688 174.187 176.870 0.009 0.000 1.003 227 L CA -0.461 54.380 54.840 0.002 0.000 1.247 227 L CB -1.072 41.019 42.059 0.053 0.000 1.117 227 L HN 0.023 8.174 8.230 -0.001 0.079 0.567 228 P HA -0.016 4.409 4.420 0.008 0.000 0.263 228 P C 0.412 177.734 177.300 0.036 0.000 1.175 228 P CA -0.057 63.049 63.100 0.011 0.000 0.761 228 P CB 0.791 32.492 31.700 0.002 0.000 0.794 229 E N 4.492 124.714 120.200 0.036 0.000 2.077 229 E HA -0.520 3.868 4.350 0.063 0.000 0.193 229 E C 2.170 178.812 176.600 0.070 0.000 0.989 229 E CA 4.216 60.648 56.400 0.053 0.000 0.800 229 E CB 0.110 29.834 29.700 0.040 0.000 0.746 229 E HN 0.630 9.006 8.360 0.025 0.000 0.452 230 E N -2.090 118.142 120.200 0.053 0.000 2.160 230 E HA -0.284 4.101 4.350 0.060 0.000 0.195 230 E C 2.202 178.844 176.600 0.070 0.000 0.991 230 E CA 2.731 59.164 56.400 0.055 0.000 0.810 230 E CB -0.602 29.120 29.700 0.037 0.000 0.742 230 E HN 0.301 8.685 8.360 0.040 0.000 0.466 231 L N -1.233 120.032 121.223 0.070 0.000 2.093 231 L HA -0.180 4.204 4.340 0.074 0.000 0.208 231 L C 1.040 177.998 176.870 0.147 0.000 1.085 231 L CA 3.222 58.114 54.840 0.086 0.000 0.755 231 L CB -0.445 41.648 42.059 0.056 0.000 0.904 231 L HN -0.852 7.283 8.230 0.056 0.129 0.435 232 L N -2.199 119.129 121.223 0.175 0.000 2.141 232 L HA -0.374 4.185 4.340 0.366 0.000 0.209 232 L C 2.749 179.770 176.870 0.252 0.000 1.094 232 L CA 3.401 58.407 54.840 0.277 0.000 0.763 232 L CB -1.156 41.066 42.059 0.271 0.000 0.908 232 L HN -0.834 7.372 8.230 0.137 0.106 0.437 233 R N -1.206 119.402 120.500 0.180 0.000 2.090 233 R HA -0.299 4.172 4.340 0.218 0.000 0.228 233 R C 2.623 179.000 176.300 0.129 0.000 1.110 233 R CA 3.608 59.807 56.100 0.165 0.000 0.973 233 R CB -0.184 30.185 30.300 0.115 0.000 0.869 233 R HN -0.212 8.027 8.270 0.147 0.120 0.440 234 N N -0.093 118.672 118.700 0.107 0.000 2.207 234 N HA -0.169 4.603 4.740 0.053 0.000 0.182 234 N C 2.050 177.608 175.510 0.079 0.000 1.020 234 N CA 2.547 55.642 53.050 0.076 0.000 0.858 234 N CB -0.093 38.434 38.487 0.067 0.000 0.991 234 N HN -0.595 7.760 8.380 0.113 0.093 0.427 235 L N -0.484 120.812 121.223 0.122 0.000 2.046 235 L HA -0.327 4.077 4.340 0.107 0.000 0.208 235 L C 1.458 178.374 176.870 0.076 0.000 1.077 235 L CA 3.332 58.247 54.840 0.125 0.000 0.747 235 L CB -0.029 42.154 42.059 0.207 0.000 0.896 235 L HN 0.235 8.443 8.230 0.146 0.110 0.432 236 Y N -2.684 117.566 120.300 -0.083 0.000 2.373 236 Y HA -0.299 4.079 4.550 -0.286 0.000 0.293 236 Y C 1.236 177.084 175.900 -0.088 0.000 1.129 236 Y CA 1.577 59.567 58.100 -0.184 0.000 1.226 236 Y CB 0.331 38.658 38.460 -0.220 0.000 1.000 236 Y HN -0.549 7.853 8.280 0.204 0.000 0.549 237 E N 0.074 120.201 120.200 -0.122 0.000 2.077 237 E HA -0.494 3.686 4.350 -0.283 0.000 0.193 237 E C 2.290 178.794 176.600 -0.160 0.000 0.989 237 E CA 3.232 59.528 56.400 -0.173 0.000 0.800 237 E CB -0.699 28.971 29.700 -0.051 0.000 0.746 237 E HN -0.477 7.772 8.360 0.021 0.124 0.452 238 S N -2.096 113.550 115.700 -0.091 0.000 2.440 238 S HA -0.256 4.188 4.470 -0.043 0.000 0.240 238 S C 1.063 175.604 174.600 -0.098 0.000 1.014 238 S CA 3.516 61.679 58.200 -0.062 0.000 0.980 238 S CB -0.057 63.132 63.200 -0.018 0.000 0.775 238 S HN -0.544 7.726 8.310 -0.053 0.009 0.499 239 I N 1.089 121.553 120.570 -0.176 0.000 2.405 239 I HA -0.222 3.877 4.170 -0.117 0.000 0.236 239 I C 2.265 178.278 176.117 -0.172 0.000 1.071 239 I CA 1.309 62.505 61.300 -0.174 0.000 1.398 239 I CB -0.095 37.798 38.000 -0.178 0.000 1.162 239 I HN -0.407 7.493 8.210 -0.229 0.172 0.432 240 K N 0.348 120.555 120.400 -0.323 0.000 2.089 240 K HA -0.351 4.058 4.320 0.148 0.000 0.210 240 K C 2.039 178.599 176.600 -0.067 0.000 1.048 240 K CA 2.948 59.147 56.287 -0.147 0.000 0.926 240 K CB -0.329 31.960 32.500 -0.351 0.000 0.714 240 K HN -0.495 7.370 8.250 -0.643 0.000 0.448 241 N N -3.769 114.861 118.700 -0.116 0.000 2.416 241 N HA -0.053 4.657 4.740 -0.050 0.000 0.177 241 N C -0.678 174.793 175.510 -0.065 0.000 1.036 241 N CA 1.341 54.349 53.050 -0.071 0.000 0.901 241 N CB 0.968 39.419 38.487 -0.061 0.000 0.976 241 N HN -0.313 7.955 8.380 -0.169 0.010 0.444 242 E N -1.482 118.673 120.200 -0.076 0.000 3.666 242 E HA 0.432 4.764 4.350 -0.029 0.000 0.230 242 E C -2.407 174.164 176.600 -0.050 0.000 1.235 242 E CA -3.664 52.714 56.400 -0.036 0.000 1.096 242 E CB 0.899 30.604 29.700 0.007 0.000 1.287 242 E HN -0.399 7.727 8.360 -0.098 0.176 0.406 243 P HA -0.078 4.230 4.420 -0.252 -0.040 0.313 243 P C -1.149 176.161 177.300 0.017 0.000 1.332 243 P CA 0.123 63.048 63.100 -0.291 0.000 0.777 243 P CB 0.571 31.754 31.700 -0.861 0.000 1.599 244 F N -6.426 113.435 119.950 -0.148 0.000 2.182 244 F HA -0.438 4.071 4.527 -0.030 0.000 0.323 244 F C -2.560 173.218 175.800 -0.037 0.000 1.276 244 F CA 1.079 59.050 58.000 -0.048 0.000 0.933 244 F CB 0.136 39.134 39.000 -0.004 0.000 4.109 244 F HN 0.170 8.431 8.300 -0.065 0.000 0.171 245 K N 2.624 122.506 120.400 -0.863 0.000 1.827 245 K HA 0.168 3.903 4.320 -1.392 -0.251 0.258 245 K C -1.356 174.868 176.600 -0.626 0.000 0.587 245 K CA -1.600 54.135 56.287 -0.921 0.000 0.419 245 K CB 2.085 34.316 32.500 -0.449 0.000 1.747 245 K HN -0.359 7.782 8.250 -0.182 0.000 0.564 246 I N -2.290 117.990 120.570 -0.482 0.000 3.224 246 I HA -0.230 3.543 4.170 -0.661 0.000 0.306 246 I C -1.399 174.291 176.117 -0.711 0.000 1.231 246 I CA -0.418 60.546 61.300 -0.560 0.000 1.421 246 I CB -0.760 37.008 38.000 -0.387 0.000 1.315 246 I HN 0.140 8.117 8.210 -0.387 0.000 0.581 247 P HA -0.177 2.691 4.420 -2.588 0.000 0.273 247 P C -1.275 175.732 177.300 -0.488 0.000 1.248 247 P CA 0.278 62.511 63.100 -1.445 0.000 0.817 247 P CB 0.583 31.519 31.700 -1.273 0.000 0.995 248 E N -4.671 115.451 120.200 -0.131 0.000 2.694 248 E HA -0.406 4.042 4.350 0.163 0.000 0.272 248 E C -1.658 174.990 176.600 0.081 0.000 1.040 248 E CA 0.488 56.916 56.400 0.048 0.000 0.809 248 E CB -0.626 29.049 29.700 -0.041 0.000 1.389 248 E HN 0.176 8.540 8.360 0.006 0.000 0.413 249 L N -1.608 119.738 121.223 0.205 0.000 2.421 249 L HA 0.099 4.497 4.340 0.096 0.000 0.263 249 L C 1.309 178.248 176.870 0.115 0.000 1.122 249 L CA 0.133 55.090 54.840 0.195 0.000 0.804 249 L CB 0.447 42.717 42.059 0.351 0.000 1.150 249 L HN -0.355 8.055 8.230 0.338 0.023 0.457 250 E N 3.983 124.183 120.200 -0.001 0.000 2.114 250 E HA -0.330 3.858 4.350 -0.269 0.000 0.199 250 E C -0.240 176.086 176.600 -0.457 0.000 1.008 250 E CA 2.146 58.435 56.400 -0.185 0.000 0.810 250 E CB 0.005 29.679 29.700 -0.043 0.000 0.739 250 E HN 0.291 8.682 8.360 0.051 0.000 0.456 251 H N -6.773 112.399 119.070 0.171 0.000 2.684 251 H HA -0.287 4.331 4.556 0.103 0.000 0.309 251 H C -1.445 174.011 175.328 0.214 0.000 1.102 251 H CA 0.276 56.414 56.048 0.149 0.000 1.147 251 H CB -2.734 27.106 29.762 0.129 0.000 1.391 251 H HN -0.229 8.133 8.280 0.148 0.007 0.398 252 H N -5.411 113.710 119.070 0.086 0.000 2.740 252 H HA -0.424 4.372 4.556 0.117 -0.170 0.327 252 H C -0.108 175.363 175.328 0.238 0.000 1.077 252 H CA 0.214 56.350 56.048 0.148 0.000 1.088 252 H CB -1.618 28.238 29.762 0.157 0.000 1.619 252 H HN 0.052 8.380 8.280 0.136 0.034 0.386 253 H N 4.874 123.857 119.070 -0.145 0.000 2.502 253 H HA -0.167 4.506 4.556 0.196 0.000 0.283 253 H C -0.282 175.033 175.328 -0.023 0.000 1.015 253 H CA 2.094 58.127 56.048 -0.025 0.000 1.298 253 H CB 0.256 29.959 29.762 -0.099 0.000 1.411 253 H HN 0.175 9.037 8.280 -0.031 -0.601 0.556 254 H N -2.309 116.569 119.070 -0.319 0.000 2.466 254 H HA -0.305 4.195 4.556 -0.093 0.000 0.297 254 H C 0.320 175.528 175.328 -0.200 0.000 1.113 254 H CA 0.492 56.390 56.048 -0.250 0.000 1.273 254 H CB 0.001 29.629 29.762 -0.224 0.000 1.371 254 H HN -0.049 8.121 8.280 -0.133 0.030 0.528 255 H N -0.588 118.247 119.070 -0.392 0.000 3.299 255 H HA -0.271 4.176 4.556 -0.182 0.000 0.225 255 H C -0.771 174.465 175.328 -0.154 0.000 0.834 255 H CA 1.096 57.030 56.048 -0.190 0.000 1.370 255 H CB -1.014 28.749 29.762 0.002 0.000 1.526 255 H HN -0.786 7.115 8.280 -0.565 0.040 0.504 256 H N 0.000 119.043 119.070 -0.045 0.000 2.539 256 H HA 0.000 4.549 4.556 -0.011 0.000 0.296 256 H CA 0.000 56.041 56.048 -0.012 0.000 1.023 256 H CB 0.000 29.741 29.762 -0.035 0.000 1.292 256 H HN 0.000 7.815 8.280 -0.776 0.000 0.496