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 1c2e_1_A DATA FIRST_RESID 16 DATA SEQUENCE IVGGYTcGAN TVPYQVSLNX XSGYHFcGGS LINSQWVVSA AHcYKSGIQV DATA SEQUENCE RLXGEDNINV VEGNEQFISA SKSIVHPSYN SNTLNNDIML IKLKSAASLN DATA SEQUENCE SRVASISLPT XScASXAGTQ cLISGWGNTK SSGTSYPDVL KcLKAPILSD DATA SEQUENCE SScKSAYPGQ ITSNMFcAYL EGKDScQGDS GGPVVcSGKX XXXLQGIVSW DATA SEQUENCE GSXGcQKNKP GVYTKVcNYV SWIKQTIASN 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 16 I HA 0.000 4.168 4.170 -0.004 0.000 0.288 16 I C 0.000 176.091 176.117 -0.044 0.000 1.063 16 I CA 0.000 61.278 61.300 -0.037 0.000 1.566 16 I CB 0.000 37.948 38.000 -0.086 0.000 1.214 17 V N 5.126 125.029 119.914 -0.019 0.000 2.459 17 V HA 0.285 4.513 4.120 -0.034 -0.128 0.295 17 V C 0.492 176.579 176.094 -0.012 0.000 1.029 17 V CA -1.679 60.609 62.300 -0.019 0.000 0.874 17 V CB 1.281 33.100 31.823 -0.006 0.000 0.985 17 V HN 0.772 8.964 8.190 0.004 0.000 0.438 18 G N 7.130 115.918 108.800 -0.019 0.000 2.160 18 G HA2 -0.382 3.568 3.960 -0.017 0.000 0.244 18 G HA3 -0.382 3.698 3.960 -0.030 -0.138 0.244 18 G C -0.759 174.138 174.900 -0.005 0.000 1.022 18 G CA 0.400 45.489 45.100 -0.019 0.000 0.741 18 G HN 0.759 9.035 8.290 -0.023 0.000 0.508 19 G N -1.424 107.364 108.800 -0.019 0.000 2.795 19 G HA2 0.574 4.533 3.960 0.031 0.000 0.267 19 G HA3 0.574 4.551 3.960 -0.151 -0.108 0.267 19 G C -1.785 173.127 174.900 0.020 0.000 1.362 19 G CA -1.152 43.922 45.100 -0.043 0.000 1.048 19 G HN -0.641 7.601 8.290 -0.034 0.028 0.547 20 Y N -6.206 114.070 120.300 -0.040 0.000 2.634 20 Y HA 0.412 4.940 4.550 -0.035 0.000 0.340 20 Y C -1.719 174.151 175.900 -0.050 0.000 1.058 20 Y CA -2.870 55.207 58.100 -0.039 0.000 1.081 20 Y CB 1.142 39.582 38.460 -0.033 0.000 1.295 20 Y HN 0.199 8.048 8.280 -0.718 0.000 0.487 21 T N 2.778 117.400 114.554 0.113 0.000 2.834 21 T HA 0.001 4.453 4.350 -0.087 -0.155 0.298 21 T C 0.339 175.090 174.700 0.086 0.000 0.966 21 T CA 1.777 63.888 62.100 0.018 0.000 1.141 21 T CB -0.086 68.810 68.868 0.047 0.000 0.905 21 T HN 0.191 8.542 8.240 0.185 0.000 0.535 22 c N 6.551 125.108 118.600 -0.072 0.000 2.432 22 c HA -0.078 4.549 4.570 0.095 0.000 0.277 22 c C 0.696 174.818 174.090 0.054 0.000 1.249 22 c CA 0.764 57.085 56.329 -0.013 0.000 1.725 22 c CB -0.547 41.876 42.510 -0.145 0.000 2.028 22 c HN 0.628 8.756 8.230 -0.171 0.000 0.477 23 G N -1.659 107.148 108.800 0.011 0.000 2.697 23 G HA2 -0.217 3.759 3.960 0.027 0.000 0.684 23 G HA3 -0.217 3.761 3.960 0.030 0.000 0.684 23 G C -2.237 172.665 174.900 0.003 0.000 1.274 23 G CA -0.852 44.260 45.100 0.021 0.000 0.806 23 G HN -0.404 7.872 8.290 -0.023 0.000 0.644 24 A N 2.267 125.097 122.820 0.016 0.000 2.561 24 A HA -0.226 4.361 4.320 0.033 -0.247 0.251 24 A C -0.113 177.477 177.584 0.010 0.000 1.062 24 A CA 1.060 53.110 52.037 0.023 0.000 0.761 24 A CB 0.039 19.057 19.000 0.030 0.000 0.986 24 A HN 0.260 8.423 8.150 0.022 0.000 0.510 25 N N -2.377 116.327 118.700 0.007 0.000 2.725 25 N HA -0.391 4.341 4.740 -0.014 0.000 0.249 25 N C 0.298 175.787 175.510 -0.035 0.000 1.103 25 N CA 1.514 54.558 53.050 -0.010 0.000 0.707 25 N CB -1.241 37.249 38.487 0.006 0.000 1.043 25 N HN 0.526 8.919 8.380 0.021 0.000 0.553 26 T N -3.870 110.654 114.554 -0.049 0.000 3.100 26 T HA -0.037 4.301 4.350 -0.020 0.000 0.253 26 T C -0.304 174.338 174.700 -0.097 0.000 1.118 26 T CA 1.290 63.365 62.100 -0.042 0.000 1.058 26 T CB 0.637 69.498 68.868 -0.012 0.000 0.953 26 T HN -0.433 7.755 8.240 -0.051 0.022 0.515 27 V N 2.313 122.106 119.914 -0.202 0.000 2.271 27 V HA 0.352 4.179 4.120 -0.489 0.000 0.259 27 V C -1.212 174.558 176.094 -0.539 0.000 1.030 27 V CA -3.509 58.502 62.300 -0.482 0.000 0.957 27 V CB 0.815 32.350 31.823 -0.481 0.000 1.186 27 V HN -0.421 7.603 8.190 -0.170 0.064 0.471 28 P HA 0.064 4.511 4.420 -0.097 -0.084 0.230 28 P C -0.189 177.062 177.300 -0.083 0.000 1.158 28 P CA 1.487 64.507 63.100 -0.133 0.000 0.769 28 P CB 0.106 31.798 31.700 -0.014 0.000 0.807 29 Y N -5.775 114.556 120.300 0.051 0.000 2.457 29 Y HA 0.537 5.265 4.550 0.062 -0.141 0.263 29 Y C -0.833 175.112 175.900 0.074 0.000 1.164 29 Y CA -3.849 54.287 58.100 0.059 0.000 1.274 29 Y CB -1.450 37.040 38.460 0.050 0.000 1.097 29 Y HN -0.407 7.273 8.280 -0.884 0.070 0.523 30 Q N 2.692 122.396 119.800 -0.159 0.000 2.288 30 Q HA 0.323 4.882 4.340 0.134 -0.138 0.254 30 Q C -0.333 175.762 176.000 0.159 0.000 0.932 30 Q CA -0.273 55.539 55.803 0.015 0.000 0.902 30 Q CB 1.461 30.115 28.738 -0.139 0.000 1.203 30 Q HN -0.604 7.350 8.270 -0.408 0.071 0.415 31 V N 0.245 120.288 119.914 0.215 0.000 2.960 31 V HA 0.795 5.143 4.120 0.184 -0.117 0.315 31 V C -1.531 174.710 176.094 0.245 0.000 1.087 31 V CA -2.907 59.508 62.300 0.192 0.000 0.982 31 V CB 3.504 35.395 31.823 0.113 0.000 1.039 31 V HN 0.408 8.724 8.190 0.210 0.000 0.437 32 S N 0.857 116.608 115.700 0.085 0.000 2.519 32 S HA 0.461 5.154 4.470 0.174 -0.118 0.309 32 S C -1.226 173.274 174.600 -0.166 0.000 1.100 32 S CA -2.040 56.144 58.200 -0.026 0.000 1.059 32 S CB 1.524 64.483 63.200 -0.403 0.000 1.008 32 S HN -0.085 8.243 8.310 0.030 0.000 0.478 33 L N 7.558 128.565 121.223 -0.360 0.000 2.275 33 L HA 0.557 4.849 4.340 -0.299 -0.131 0.288 33 L C -1.507 174.960 176.870 -0.672 0.000 1.046 33 L CA -0.816 53.693 54.840 -0.551 0.000 0.805 33 L CB 1.022 42.534 42.059 -0.912 0.000 1.193 33 L HN 0.949 8.835 8.230 -0.403 0.103 0.426 38 G N 0.298 108.861 108.800 -0.394 0.000 2.201 38 G HA2 -0.268 3.613 3.960 -0.131 0.000 0.212 38 G HA3 -0.268 3.640 3.960 -0.088 0.000 0.212 38 G C -1.617 173.241 174.900 -0.071 0.000 0.994 38 G CA 0.271 45.258 45.100 -0.189 0.000 0.644 38 G HN 0.080 8.397 8.290 -0.328 -0.224 0.508 39 Y N -8.356 111.920 120.300 -0.039 0.000 2.702 39 Y HA 0.140 4.652 4.550 -0.064 0.000 0.336 39 Y C -2.913 172.994 175.900 0.011 0.000 1.203 39 Y CA -3.551 54.529 58.100 -0.033 0.000 1.072 39 Y CB 0.903 39.343 38.460 -0.033 0.000 1.327 39 Y HN -1.106 6.733 8.280 -0.760 -0.015 0.456 40 H N 2.729 121.806 119.070 0.011 0.000 2.767 40 H HA 0.211 4.800 4.556 -0.245 -0.180 0.316 40 H C -0.739 174.656 175.328 0.111 0.000 1.059 40 H CA 0.306 56.295 56.048 -0.098 0.000 1.461 40 H CB 0.459 30.111 29.762 -0.183 0.000 1.475 40 H HN 0.177 8.587 8.280 0.217 0.000 0.531 41 F N 2.309 121.869 119.950 -0.650 0.000 2.819 41 F HA 0.307 4.732 4.527 -0.169 0.000 0.325 41 F C -1.609 173.939 175.800 -0.419 0.000 1.041 41 F CA -0.653 57.136 58.000 -0.351 0.000 1.184 41 F CB 1.641 40.564 39.000 -0.128 0.000 1.019 41 F HN 0.194 7.820 8.300 -1.123 0.000 0.590 42 c N -1.589 116.289 118.600 -1.203 0.000 3.318 42 c HA 0.283 4.722 4.570 -0.218 0.000 0.322 42 c C -1.724 172.173 174.090 -0.321 0.000 1.398 42 c CA -0.125 55.873 56.329 -0.552 0.000 1.339 42 c CB 4.175 46.424 42.510 -0.434 0.000 1.668 42 c HN -0.809 6.400 8.230 -1.701 0.000 0.462 43 G N -0.912 107.887 108.800 -0.000 0.000 2.601 43 G HA2 0.816 5.084 3.960 0.254 0.000 0.317 43 G HA3 0.816 4.923 3.960 0.246 0.000 0.317 43 G C -2.554 172.385 174.900 0.066 0.000 1.246 43 G CA -1.651 43.550 45.100 0.168 0.000 1.012 43 G HN 0.802 9.099 8.290 0.011 0.000 0.494 44 G N -3.811 105.061 108.800 0.119 0.000 2.550 44 G HA2 0.600 4.864 3.960 0.096 0.000 0.293 44 G HA3 0.600 4.605 3.960 0.075 0.000 0.293 44 G C -2.940 172.055 174.900 0.158 0.000 1.402 44 G CA 0.198 45.361 45.100 0.104 0.000 0.784 44 G HN -0.475 7.921 8.290 0.177 0.000 0.482 45 S N -0.680 115.117 115.700 0.161 0.000 2.521 45 S HA 0.917 5.771 4.470 0.283 -0.214 0.295 45 S C -1.437 173.270 174.600 0.178 0.000 1.098 45 S CA -0.910 57.416 58.200 0.211 0.000 0.999 45 S CB 3.933 67.240 63.200 0.178 0.000 1.034 45 S HN 0.355 8.746 8.310 0.136 0.000 0.483 46 L N 5.599 126.944 121.223 0.202 0.000 2.290 46 L HA 0.247 4.793 4.340 0.151 -0.116 0.284 46 L C -0.639 176.317 176.870 0.142 0.000 1.078 46 L CA -0.384 54.554 54.840 0.163 0.000 0.815 46 L CB 1.379 43.532 42.059 0.157 0.000 1.162 46 L HN 0.529 8.813 8.230 0.268 0.106 0.435 47 I N -0.268 120.382 120.570 0.133 0.000 4.035 47 I HA 0.415 4.771 4.170 0.067 -0.145 0.321 47 I C -0.811 175.364 176.117 0.096 0.000 1.289 47 I CA -0.375 60.982 61.300 0.095 0.000 1.236 47 I CB 0.786 38.832 38.000 0.076 0.000 1.076 47 I HN 0.384 8.690 8.210 0.160 0.000 0.418 48 N N -2.132 116.646 118.700 0.129 0.000 3.348 48 N HA 0.046 4.841 4.740 0.092 0.000 0.233 48 N C -0.390 175.194 175.510 0.123 0.000 1.440 48 N CA -0.416 52.705 53.050 0.119 0.000 0.887 48 N CB 1.170 39.733 38.487 0.127 0.000 1.410 48 N HN -0.862 7.610 8.380 0.152 0.000 0.502 49 S N -0.210 115.545 115.700 0.092 0.000 2.423 49 S HA -0.409 4.094 4.470 0.056 0.000 0.238 49 S C 0.909 175.532 174.600 0.038 0.000 1.028 49 S CA 3.075 61.312 58.200 0.062 0.000 1.000 49 S CB -0.065 63.162 63.200 0.045 0.000 0.797 49 S HN 0.503 8.863 8.310 0.083 0.000 0.487 50 Q N -2.961 116.872 119.800 0.055 0.000 2.217 50 Q HA 0.179 4.442 4.340 -0.128 0.000 0.217 50 Q C -1.157 174.692 176.000 -0.251 0.000 0.844 50 Q CA 0.059 55.800 55.803 -0.103 0.000 0.957 50 Q CB 1.304 29.958 28.738 -0.140 0.000 1.127 50 Q HN 0.042 8.357 8.270 0.131 0.034 0.503 51 W N -2.125 119.180 121.300 0.008 0.000 2.936 51 W HA 0.646 5.499 4.660 0.004 -0.191 0.338 51 W C -1.606 174.925 176.519 0.020 0.000 1.121 51 W CA -0.858 56.490 57.345 0.005 0.000 1.209 51 W CB 3.994 33.445 29.460 -0.016 0.000 1.420 51 W HN -0.401 7.924 8.180 0.241 0.000 0.516 52 V N 0.814 120.901 119.914 0.290 0.000 2.735 52 V HA 0.833 5.237 4.120 0.177 -0.178 0.310 52 V C -2.061 174.151 176.094 0.196 0.000 1.061 52 V CA -1.513 60.902 62.300 0.193 0.000 0.913 52 V CB 3.944 35.840 31.823 0.123 0.000 1.005 52 V HN 0.842 9.236 8.190 0.339 0.000 0.428 53 V N 6.076 126.082 119.914 0.152 0.000 2.555 53 V HA 0.952 5.346 4.120 0.154 -0.182 0.302 53 V C -2.209 173.953 176.094 0.113 0.000 1.038 53 V CA -2.657 59.725 62.300 0.136 0.000 0.887 53 V CB 3.213 35.106 31.823 0.117 0.000 0.991 53 V HN 0.402 8.678 8.190 0.143 0.000 0.434 54 S N 6.795 122.553 115.700 0.097 0.000 2.880 54 S HA 0.543 5.251 4.470 0.066 -0.198 0.308 54 S C -2.196 172.423 174.600 0.031 0.000 1.195 54 S CA -2.340 55.895 58.200 0.058 0.000 0.866 54 S CB 2.206 65.426 63.200 0.035 0.000 1.254 54 S HN 0.679 9.055 8.310 0.110 0.000 0.571 55 A N -0.749 122.058 122.820 -0.023 0.000 2.303 55 A HA 0.466 4.933 4.320 -0.021 -0.160 0.317 55 A C 0.394 177.899 177.584 -0.132 0.000 1.149 55 A CA -1.555 50.446 52.037 -0.061 0.000 0.822 55 A CB 1.613 20.561 19.000 -0.086 0.000 1.131 55 A HN 0.258 8.381 8.150 -0.044 0.000 0.493 56 A N 3.790 126.476 122.820 -0.224 0.000 2.014 56 A HA -0.171 4.024 4.320 -0.208 0.000 0.218 56 A C 1.135 178.516 177.584 -0.338 0.000 1.163 56 A CA 2.524 54.304 52.037 -0.428 0.000 0.652 56 A CB -0.067 18.276 19.000 -1.095 0.000 0.808 56 A HN 0.542 8.619 8.150 -0.199 -0.046 0.449 57 H N -4.964 113.983 119.070 -0.205 0.000 2.563 57 H HA -0.033 4.574 4.556 0.084 0.000 0.272 57 H C -0.134 175.253 175.328 0.098 0.000 1.005 57 H CA 0.964 57.036 56.048 0.040 0.000 1.171 57 H CB -1.599 28.252 29.762 0.148 0.000 1.351 57 H HN 0.096 8.636 8.280 -0.040 -0.283 0.602 58 c N -1.220 117.269 118.600 -0.186 0.000 2.754 58 c HA 0.065 4.661 4.570 0.043 0.000 0.276 58 c C 0.145 174.302 174.090 0.112 0.000 1.264 58 c CA -0.196 56.126 56.329 -0.013 0.000 1.700 58 c CB -1.551 40.936 42.510 -0.038 0.000 1.885 58 c HN -0.348 7.541 8.230 -0.214 0.212 0.607 59 Y N 2.352 122.638 120.300 -0.023 0.000 2.610 59 Y HA -0.221 4.337 4.550 0.012 0.000 0.332 59 Y C -0.797 175.065 175.900 -0.063 0.000 1.201 59 Y CA 1.982 60.071 58.100 -0.019 0.000 1.465 59 Y CB 0.696 39.137 38.460 -0.032 0.000 1.283 59 Y HN -0.436 7.735 8.280 0.133 0.189 0.563 60 K N 7.014 126.759 120.400 -1.092 0.000 2.579 60 K HA 0.237 4.038 4.320 -0.865 0.000 0.284 60 K C -2.271 173.781 176.600 -0.912 0.000 0.990 60 K CA -1.363 54.361 56.287 -0.939 0.000 0.880 60 K CB 3.703 35.769 32.500 -0.724 0.000 1.488 60 K HN 0.204 7.839 8.250 -1.025 0.000 0.425 61 S N -0.090 115.277 115.700 -0.554 0.000 2.565 61 S HA 0.178 4.501 4.470 -0.244 0.000 0.290 61 S C 0.698 175.170 174.600 -0.213 0.000 1.150 61 S CA -0.575 57.454 58.200 -0.285 0.000 1.058 61 S CB 1.022 64.133 63.200 -0.148 0.000 1.032 61 S HN 0.028 8.054 8.310 -0.473 0.000 0.510 62 G N 3.662 112.381 108.800 -0.134 0.000 2.291 62 G HA2 -0.232 3.678 3.960 -0.084 0.000 0.271 62 G HA3 -0.232 3.653 3.960 -0.125 0.000 0.271 62 G C -1.710 173.120 174.900 -0.117 0.000 1.099 62 G CA -0.010 45.021 45.100 -0.115 0.000 0.919 62 G HN 0.354 8.584 8.290 -0.099 0.000 0.496 63 I N -0.894 119.628 120.570 -0.080 0.000 2.428 63 I HA 0.115 4.401 4.170 -0.007 -0.120 0.296 63 I C -2.020 174.073 176.117 -0.041 0.000 0.985 63 I CA -1.098 60.188 61.300 -0.023 0.000 1.260 63 I CB 1.682 39.709 38.000 0.046 0.000 1.389 63 I HN -0.473 7.693 8.210 -0.073 0.000 0.484 64 Q N 5.524 125.289 119.800 -0.059 0.000 2.340 64 Q HA 0.460 4.864 4.340 -0.055 -0.097 0.268 64 Q C -1.756 174.189 176.000 -0.092 0.000 1.031 64 Q CA -1.410 54.344 55.803 -0.081 0.000 0.804 64 Q CB 4.017 32.678 28.738 -0.127 0.000 1.286 64 Q HN 0.354 8.592 8.270 -0.053 0.000 0.448 65 V N 6.879 126.761 119.914 -0.053 0.000 2.407 65 V HA 0.203 4.391 4.120 -0.073 -0.111 0.278 65 V C -1.326 174.770 176.094 0.004 0.000 1.037 65 V CA -0.009 62.269 62.300 -0.037 0.000 0.900 65 V CB 0.954 32.773 31.823 -0.007 0.000 0.983 65 V HN 1.143 9.204 8.190 -0.031 0.110 0.459 66 R N 6.540 127.033 120.500 -0.012 0.000 2.360 66 R HA 0.689 5.397 4.340 0.309 -0.183 0.318 66 R C -1.027 175.345 176.300 0.120 0.000 0.950 66 R CA -1.283 54.883 56.100 0.110 0.000 0.837 66 R CB 1.653 31.905 30.300 -0.079 0.000 1.165 66 R HN 0.717 8.951 8.270 -0.060 0.000 0.458 70 E N -1.263 119.030 120.200 0.154 0.000 2.283 70 E HA 0.176 4.606 4.350 0.134 0.000 0.271 70 E C -2.025 174.766 176.600 0.319 0.000 1.031 70 E CA 0.135 56.648 56.400 0.189 0.000 0.868 70 E CB 1.903 31.644 29.700 0.069 0.000 1.094 70 E HN -0.552 7.883 8.360 0.174 0.030 0.401 71 D N 0.811 121.383 120.400 0.288 0.000 2.845 71 D HA 0.040 4.902 4.640 0.371 0.000 0.155 71 D C -1.166 175.350 176.300 0.360 0.000 1.490 71 D CA 1.028 55.210 54.000 0.303 0.000 1.548 71 D CB 2.439 43.325 40.800 0.143 0.000 1.523 71 D HN 0.081 8.567 8.370 0.192 0.000 0.233 72 N N 1.171 119.982 118.700 0.185 0.000 2.408 72 N HA 0.300 5.311 4.740 0.194 -0.156 0.257 72 N C 2.031 177.553 175.510 0.020 0.000 1.064 72 N CA -0.612 52.516 53.050 0.131 0.000 0.952 72 N CB 0.681 39.217 38.487 0.082 0.000 1.093 72 N HN -0.452 8.281 8.380 0.136 -0.271 0.490 73 I N -0.013 120.484 120.570 -0.122 0.000 3.564 73 I HA 0.004 4.187 4.170 -0.237 -0.156 0.294 73 I C -0.372 175.660 176.117 -0.142 0.000 1.289 73 I CA 0.896 62.029 61.300 -0.278 0.000 1.325 73 I CB -0.800 36.798 38.000 -0.669 0.000 1.039 73 I HN 0.575 8.730 8.210 -0.092 0.000 0.474 74 N N -1.553 117.111 118.700 -0.060 0.000 2.254 74 N HA 0.137 4.855 4.740 -0.037 0.000 0.190 74 N C -0.808 174.706 175.510 0.007 0.000 1.107 74 N CA -0.052 52.983 53.050 -0.023 0.000 0.869 74 N CB 2.175 40.659 38.487 -0.004 0.000 0.983 74 N HN 0.040 8.690 8.380 -0.036 -0.291 0.487 75 V N -0.218 119.708 119.914 0.020 0.000 2.588 75 V HA 0.047 4.187 4.120 0.032 0.000 0.304 75 V C -1.259 174.865 176.094 0.051 0.000 1.042 75 V CA -1.149 61.172 62.300 0.035 0.000 0.877 75 V CB 3.182 35.024 31.823 0.032 0.000 0.996 75 V HN -0.803 7.449 8.190 0.013 -0.054 0.425 76 V N 7.659 127.604 119.914 0.053 0.000 2.387 76 V HA -0.187 4.183 4.120 0.071 -0.208 0.260 76 V C 0.318 176.421 176.094 0.015 0.000 1.054 76 V CA 0.670 62.998 62.300 0.045 0.000 0.967 76 V CB -0.502 31.340 31.823 0.032 0.000 1.036 76 V HN 0.316 8.534 8.190 0.045 0.000 0.481 77 E N 8.874 129.083 120.200 0.014 0.000 2.479 77 E HA 0.033 4.388 4.350 0.009 0.000 0.193 77 E C 0.488 177.082 176.600 -0.010 0.000 1.049 77 E CA -0.012 56.393 56.400 0.008 0.000 0.870 77 E CB 0.210 29.924 29.700 0.024 0.000 0.944 77 E HN 0.287 9.040 8.360 0.023 -0.380 0.492 78 G N -1.284 107.496 108.800 -0.033 0.000 2.259 78 G HA2 -0.364 3.559 3.960 -0.061 0.000 0.217 78 G HA3 -0.364 3.577 3.960 -0.031 0.000 0.217 78 G C -0.036 174.829 174.900 -0.058 0.000 1.001 78 G CA 0.375 45.447 45.100 -0.047 0.000 0.627 78 G HN -0.089 8.264 8.290 -0.044 -0.089 0.501 79 N N 0.543 119.216 118.700 -0.046 0.000 2.321 79 N HA 0.099 4.809 4.740 -0.051 0.000 0.242 79 N C -1.848 173.623 175.510 -0.064 0.000 1.141 79 N CA -0.705 52.318 53.050 -0.044 0.000 0.864 79 N CB 0.724 39.204 38.487 -0.012 0.000 1.100 79 N HN 0.326 8.689 8.380 -0.028 0.000 0.510 80 E N -0.228 119.891 120.200 -0.135 0.000 2.250 80 E HA 0.472 5.023 4.350 -0.067 -0.242 0.269 80 E C -0.353 176.057 176.600 -0.316 0.000 1.018 80 E CA -0.833 55.445 56.400 -0.203 0.000 0.873 80 E CB 1.379 30.866 29.700 -0.354 0.000 1.134 80 E HN -0.473 7.722 8.360 -0.158 0.070 0.403 81 Q N 0.500 120.174 119.800 -0.209 0.000 2.274 81 Q HA 0.314 4.504 4.340 -0.250 0.000 0.268 81 Q C -1.427 174.614 176.000 0.069 0.000 1.015 81 Q CA -1.132 54.583 55.803 -0.145 0.000 0.775 81 Q CB 3.158 31.873 28.738 -0.038 0.000 1.256 81 Q HN 0.323 8.562 8.270 -0.052 0.000 0.442 82 F N 3.717 123.646 119.950 -0.034 0.000 2.402 82 F HA 0.817 5.496 4.527 -0.049 -0.181 0.355 82 F C 0.101 175.876 175.800 -0.041 0.000 1.123 82 F CA -1.627 56.347 58.000 -0.043 0.000 1.021 82 F CB 1.785 40.757 39.000 -0.046 0.000 1.160 82 F HN 0.299 8.547 8.300 -0.087 0.000 0.451 83 I N 3.719 124.370 120.570 0.135 0.000 2.582 83 I HA 0.311 4.509 4.170 0.047 0.000 0.292 83 I C -1.319 174.803 176.117 0.008 0.000 1.066 83 I CA -1.279 60.049 61.300 0.048 0.000 1.053 83 I CB 4.357 42.368 38.000 0.018 0.000 1.241 83 I HN 1.021 9.307 8.210 0.127 0.000 0.421 84 S N 6.048 121.742 115.700 -0.011 0.000 2.617 84 S HA 0.213 4.780 4.470 -0.035 -0.118 0.269 84 S C -0.765 173.805 174.600 -0.049 0.000 1.292 84 S CA 0.453 58.634 58.200 -0.032 0.000 1.010 84 S CB 1.075 64.256 63.200 -0.033 0.000 0.944 84 S HN 0.453 8.759 8.310 -0.006 0.000 0.536 85 A N 1.674 124.463 122.820 -0.052 0.000 2.327 85 A HA 0.475 4.894 4.320 -0.096 -0.156 0.283 85 A C -0.492 177.049 177.584 -0.072 0.000 1.127 85 A CA -0.965 51.031 52.037 -0.069 0.000 0.810 85 A CB 1.059 20.036 19.000 -0.039 0.000 1.066 85 A HN -0.306 7.817 8.150 -0.045 0.000 0.492 86 S N 2.096 117.732 115.700 -0.106 0.000 2.499 86 S HA 0.103 4.536 4.470 -0.061 0.000 0.225 86 S C 0.440 175.004 174.600 -0.060 0.000 1.050 86 S CA 1.036 59.183 58.200 -0.087 0.000 0.928 86 S CB 1.252 64.380 63.200 -0.121 0.000 0.803 86 S HN 0.442 8.549 8.310 -0.156 0.109 0.506 87 K N 0.984 121.341 120.400 -0.072 0.000 2.562 87 K HA 0.250 4.588 4.320 0.031 0.000 0.267 87 K C -2.412 174.218 176.600 0.050 0.000 0.938 87 K CA 0.242 56.530 56.287 0.002 0.000 0.840 87 K CB 2.986 35.493 32.500 0.011 0.000 1.390 87 K HN -0.836 7.338 8.250 -0.126 0.000 0.428 88 S N 3.394 119.171 115.700 0.127 0.000 2.500 88 S HA 0.879 5.643 4.470 0.196 -0.176 0.301 88 S C -0.790 173.930 174.600 0.201 0.000 1.092 88 S CA -0.699 57.618 58.200 0.194 0.000 1.030 88 S CB 2.286 65.653 63.200 0.278 0.000 1.031 88 S HN 0.145 8.530 8.310 0.126 0.000 0.483 89 I N 7.382 128.090 120.570 0.229 0.000 2.476 89 I HA 0.178 4.449 4.170 0.168 0.000 0.281 89 I C -1.594 174.682 176.117 0.265 0.000 1.040 89 I CA -0.485 60.950 61.300 0.225 0.000 1.094 89 I CB 2.418 40.559 38.000 0.236 0.000 1.219 89 I HN 0.978 9.342 8.210 0.256 0.000 0.450 90 V N 7.378 127.381 119.914 0.149 0.000 2.649 90 V HA -0.132 4.052 4.120 0.106 0.000 0.292 90 V C -0.315 175.857 176.094 0.130 0.000 1.055 90 V CA -0.716 61.634 62.300 0.083 0.000 1.023 90 V CB 0.975 32.747 31.823 -0.085 0.000 0.992 90 V HN 0.278 8.514 8.190 0.077 0.000 0.480 91 H N 8.230 127.252 119.070 -0.079 0.000 3.094 91 H HA -0.088 4.050 4.556 -0.696 0.000 0.320 91 H C -0.015 175.215 175.328 -0.163 0.000 1.000 91 H CA 0.854 56.656 56.048 -0.410 0.000 1.413 91 H CB 1.605 31.024 29.762 -0.571 0.000 1.405 91 H HN -0.195 8.117 8.280 0.053 0.000 0.586 92 P HA -0.117 4.265 4.420 -0.064 0.000 0.218 92 P C -0.386 176.901 177.300 -0.022 0.000 1.146 92 P CA 1.661 64.651 63.100 -0.183 0.000 0.813 92 P CB 0.331 31.900 31.700 -0.218 0.000 0.778 93 S N -2.488 113.305 115.700 0.154 0.000 2.601 93 S HA 0.073 4.592 4.470 0.082 0.000 0.244 93 S C -1.262 173.446 174.600 0.179 0.000 1.001 93 S CA -0.199 58.113 58.200 0.186 0.000 0.984 93 S CB 0.775 64.087 63.200 0.187 0.000 0.842 93 S HN -0.379 8.062 8.310 0.280 0.037 0.474 94 Y N 4.448 124.795 120.300 0.078 0.000 2.544 94 Y HA -0.248 4.485 4.550 -0.036 -0.204 0.330 94 Y C -0.911 174.980 175.900 -0.016 0.000 1.136 94 Y CA 0.847 58.947 58.100 0.001 0.000 1.417 94 Y CB 0.619 39.080 38.460 0.001 0.000 1.229 94 Y HN -0.830 7.567 8.280 0.309 0.069 0.532 95 N N 8.075 126.411 118.700 -0.606 0.000 2.501 95 N HA 0.216 4.704 4.740 -0.421 0.000 0.245 95 N C -0.025 174.939 175.510 -0.910 0.000 0.974 95 N CA -1.205 51.508 53.050 -0.562 0.000 0.941 95 N CB 1.049 39.358 38.487 -0.297 0.000 1.122 95 N HN -0.057 8.060 8.380 -0.439 0.000 0.507 96 S N 6.060 121.242 115.700 -0.862 0.000 2.507 96 S HA -0.132 3.890 4.470 -0.746 0.000 0.235 96 S C 0.834 175.248 174.600 -0.310 0.000 0.988 96 S CA 2.424 60.282 58.200 -0.570 0.000 0.944 96 S CB -0.221 62.878 63.200 -0.168 0.000 0.762 96 S HN 0.666 8.601 8.310 -0.624 0.000 0.526 97 N N 0.901 119.420 118.700 -0.301 0.000 2.336 97 N HA -0.042 4.577 4.740 -0.202 0.000 0.177 97 N C 1.014 176.352 175.510 -0.287 0.000 1.018 97 N CA 2.120 55.030 53.050 -0.233 0.000 0.878 97 N CB 0.853 39.233 38.487 -0.178 0.000 0.997 97 N HN -0.289 8.067 8.380 -0.332 -0.175 0.433 98 T N -3.466 110.906 114.554 -0.303 0.000 3.014 98 T HA 0.068 4.193 4.350 -0.375 0.000 0.250 98 T C 0.167 174.627 174.700 -0.400 0.000 1.060 98 T CA 0.068 61.971 62.100 -0.328 0.000 1.040 98 T CB 1.405 70.147 68.868 -0.210 0.000 0.971 98 T HN -0.572 7.707 8.240 -0.301 -0.220 0.497 99 L N -3.878 117.139 121.223 -0.343 0.000 4.351 99 L HA -0.484 3.841 4.340 -0.152 -0.076 0.410 99 L C -1.858 175.006 176.870 -0.010 0.000 1.150 99 L CA 0.508 55.239 54.840 -0.182 0.000 0.961 99 L CB -2.727 39.178 42.059 -0.257 0.000 2.130 99 L HN -0.030 7.928 8.230 -0.376 0.046 0.787 100 N N -0.724 117.927 118.700 -0.082 0.000 2.518 100 N HA -0.143 4.645 4.740 0.080 0.000 0.266 100 N C -0.002 175.541 175.510 0.056 0.000 1.196 100 N CA 0.652 53.711 53.050 0.015 0.000 0.947 100 N CB 1.188 39.659 38.487 -0.027 0.000 1.098 100 N HN -0.805 7.424 8.380 -0.188 0.038 0.450 101 N N -0.876 117.862 118.700 0.064 0.000 2.756 101 N HA -0.466 4.190 4.740 -0.139 0.000 0.248 101 N C -1.366 174.132 175.510 -0.019 0.000 1.062 101 N CA 1.346 54.330 53.050 -0.111 0.000 0.696 101 N CB -1.563 36.746 38.487 -0.296 0.000 0.946 101 N HN 0.667 9.109 8.380 0.103 0.000 0.548 102 D N -0.828 119.618 120.400 0.076 0.000 2.608 102 D HA 0.061 4.747 4.640 0.077 0.000 0.224 102 D C -2.004 174.240 176.300 -0.095 0.000 1.123 102 D CA -0.337 53.721 54.000 0.096 0.000 1.030 102 D CB -0.743 40.212 40.800 0.258 0.000 1.093 102 D HN -0.021 8.398 8.370 0.083 0.000 0.497 103 I N 1.592 122.035 120.570 -0.212 0.000 2.802 103 I HA 0.740 5.036 4.170 -0.073 -0.169 0.298 103 I C -3.043 173.063 176.117 -0.018 0.000 1.176 103 I CA -1.661 59.551 61.300 -0.146 0.000 1.025 103 I CB 3.962 41.768 38.000 -0.324 0.000 1.243 103 I HN -0.168 7.853 8.210 -0.238 0.046 0.424 104 M N 4.662 124.325 119.600 0.103 0.000 2.520 104 M HA 0.798 5.623 4.480 0.330 -0.147 0.283 104 M C -2.805 173.637 176.300 0.237 0.000 1.237 104 M CA -1.032 54.392 55.300 0.207 0.000 0.885 104 M CB 4.815 37.483 32.600 0.113 0.000 1.727 104 M HN 0.526 8.868 8.290 0.086 0.000 0.468 105 L N 0.517 121.903 121.223 0.271 0.000 2.334 105 L HA 0.957 5.626 4.340 0.234 -0.189 0.276 105 L C -1.247 175.821 176.870 0.330 0.000 1.014 105 L CA -1.577 53.418 54.840 0.259 0.000 0.815 105 L CB 3.553 45.677 42.059 0.109 0.000 1.268 105 L HN 0.307 8.727 8.230 0.317 0.000 0.428 106 I N 0.526 121.300 120.570 0.340 0.000 2.498 106 I HA 0.551 4.976 4.170 0.155 -0.161 0.290 106 I C -1.788 174.321 176.117 -0.014 0.000 1.032 106 I CA -1.266 60.137 61.300 0.170 0.000 1.073 106 I CB 3.652 41.713 38.000 0.102 0.000 1.251 106 I HN 0.830 9.263 8.210 0.373 0.000 0.426 107 K N 5.822 126.002 120.400 -0.367 0.000 2.138 107 K HA 0.739 4.488 4.320 -1.222 -0.162 0.263 107 K C -1.087 175.245 176.600 -0.448 0.000 0.965 107 K CA -2.212 53.508 56.287 -0.945 0.000 0.868 107 K CB 3.597 35.289 32.500 -1.347 0.000 1.083 107 K HN 0.751 8.870 8.250 -0.218 0.000 0.443 108 L N 3.592 124.572 121.223 -0.405 0.000 2.357 108 L HA 0.258 4.623 4.340 -0.156 -0.119 0.273 108 L C 1.626 178.378 176.870 -0.198 0.000 1.080 108 L CA -0.290 54.423 54.840 -0.213 0.000 0.803 108 L CB 0.570 42.542 42.059 -0.145 0.000 1.174 108 L HN 0.522 8.428 8.230 -0.540 0.000 0.443 109 K N 2.061 122.385 120.400 -0.125 0.000 2.097 109 K HA -0.275 3.977 4.320 -0.113 0.000 0.205 109 K C 0.074 176.623 176.600 -0.086 0.000 1.050 109 K CA 2.736 58.964 56.287 -0.099 0.000 0.938 109 K CB 0.445 32.907 32.500 -0.063 0.000 0.718 109 K HN 0.504 8.694 8.250 -0.099 0.000 0.442 110 S N -4.100 111.555 115.700 -0.074 0.000 2.599 110 S HA 0.134 4.570 4.470 -0.056 0.000 0.294 110 S C -1.770 172.794 174.600 -0.060 0.000 1.094 110 S CA -1.378 56.789 58.200 -0.056 0.000 0.931 110 S CB 2.244 65.423 63.200 -0.035 0.000 1.093 110 S HN -0.485 7.771 8.310 -0.072 0.011 0.488 111 A N 1.042 123.836 122.820 -0.044 0.000 2.340 111 A HA 0.109 4.532 4.320 -0.047 -0.131 0.268 111 A C -0.835 176.740 177.584 -0.015 0.000 1.100 111 A CA -0.343 51.675 52.037 -0.032 0.000 0.803 111 A CB 1.111 20.102 19.000 -0.014 0.000 1.043 111 A HN 0.194 8.322 8.150 -0.037 0.000 0.488 112 A N 1.581 124.400 122.820 -0.003 0.000 2.313 112 A HA 0.125 4.445 4.320 -0.000 0.000 0.261 112 A C -0.418 177.171 177.584 0.009 0.000 1.090 112 A CA -0.847 51.194 52.037 0.006 0.000 0.807 112 A CB 1.005 20.019 19.000 0.022 0.000 1.055 112 A HN 0.636 8.665 8.150 -0.001 0.121 0.492 113 S N 0.385 116.087 115.700 0.005 0.000 2.422 113 S HA 0.143 4.617 4.470 0.007 0.000 0.298 113 S C -1.110 173.498 174.600 0.013 0.000 1.118 113 S CA -0.647 57.556 58.200 0.005 0.000 1.083 113 S CB 0.263 63.460 63.200 -0.006 0.000 0.971 113 S HN -0.035 8.606 8.310 0.001 -0.330 0.478 114 L N 6.314 127.549 121.223 0.020 0.000 2.334 114 L HA 0.113 4.572 4.340 0.032 -0.099 0.277 114 L C -0.532 176.352 176.870 0.022 0.000 1.075 114 L CA -0.303 54.554 54.840 0.028 0.000 0.804 114 L CB 0.784 42.865 42.059 0.037 0.000 1.174 114 L HN 0.299 8.540 8.230 0.019 0.000 0.438 115 N N 3.121 121.836 118.700 0.024 0.000 3.526 115 N HA 0.194 4.945 4.740 0.018 0.000 0.328 115 N C -1.260 174.265 175.510 0.024 0.000 1.601 115 N CA -0.659 52.402 53.050 0.019 0.000 0.834 115 N CB 1.224 39.717 38.487 0.010 0.000 1.983 115 N HN 0.516 8.799 8.380 0.030 0.115 0.579 116 S N -1.256 114.456 115.700 0.019 0.000 2.399 116 S HA -0.249 4.238 4.470 0.027 0.000 0.231 116 S C 0.349 174.961 174.600 0.021 0.000 1.022 116 S CA 2.702 60.914 58.200 0.022 0.000 0.983 116 S CB 0.105 63.314 63.200 0.016 0.000 0.803 116 S HN 0.189 8.508 8.310 0.014 0.000 0.480 117 R N -1.568 118.942 120.500 0.016 0.000 2.210 117 R HA -0.081 4.264 4.340 0.009 0.000 0.203 117 R C -1.348 174.964 176.300 0.019 0.000 1.010 117 R CA 0.933 57.041 56.100 0.013 0.000 1.008 117 R CB 1.035 31.340 30.300 0.009 0.000 0.923 117 R HN -0.196 8.301 8.270 0.014 -0.219 0.469 118 V N -1.362 118.569 119.914 0.029 0.000 2.409 118 V HA 0.289 4.624 4.120 0.047 -0.187 0.290 118 V C -2.023 174.106 176.094 0.059 0.000 1.017 118 V CA -1.184 61.142 62.300 0.043 0.000 0.841 118 V CB 1.957 33.801 31.823 0.036 0.000 1.003 118 V HN -0.513 7.754 8.190 0.026 -0.061 0.426 119 A N 7.216 130.089 122.820 0.087 0.000 2.527 119 A HA 0.616 4.985 4.320 0.082 0.000 0.293 119 A C -2.710 174.965 177.584 0.151 0.000 1.117 119 A CA -1.710 50.390 52.037 0.105 0.000 0.723 119 A CB 2.975 22.039 19.000 0.106 0.000 1.313 119 A HN 0.090 8.182 8.150 0.095 0.115 0.411 120 S N -1.548 114.227 115.700 0.125 0.000 2.687 120 S HA 0.562 5.264 4.470 0.159 -0.136 0.283 120 S C -0.787 173.869 174.600 0.095 0.000 1.170 120 S CA -0.885 57.389 58.200 0.125 0.000 1.008 120 S CB 1.846 65.098 63.200 0.087 0.000 1.026 120 S HN -0.029 8.339 8.310 0.097 0.000 0.541 121 I N 0.658 121.242 120.570 0.024 0.000 2.648 121 I HA 0.246 4.348 4.170 -0.114 0.000 0.304 121 I C -1.753 174.318 176.117 -0.077 0.000 1.009 121 I CA -1.685 59.534 61.300 -0.136 0.000 1.114 121 I CB 3.791 41.500 38.000 -0.484 0.000 1.293 121 I HN 0.282 8.520 8.210 0.048 0.000 0.449 122 S N 5.574 121.224 115.700 -0.083 0.000 2.562 122 S HA 0.294 4.750 4.470 -0.024 0.000 0.275 122 S C -0.862 173.712 174.600 -0.044 0.000 1.281 122 S CA -0.711 57.463 58.200 -0.044 0.000 1.045 122 S CB 0.816 63.996 63.200 -0.034 0.000 0.962 122 S HN 0.192 8.436 8.310 -0.110 0.000 0.503 123 L N 2.883 124.094 121.223 -0.019 0.000 2.418 123 L HA 0.195 4.535 4.340 -0.001 0.000 0.265 123 L C -0.976 175.891 176.870 -0.005 0.000 1.143 123 L CA -2.116 52.722 54.840 -0.002 0.000 0.809 123 L CB 0.075 42.142 42.059 0.013 0.000 1.124 123 L HN 0.344 8.565 8.230 -0.014 0.000 0.456 124 P HA 0.111 4.520 4.420 -0.017 0.000 0.274 124 P C -1.019 176.280 177.300 -0.002 0.000 1.231 124 P CA -0.473 62.624 63.100 -0.006 0.000 0.790 124 P CB 0.438 32.135 31.700 -0.005 0.000 0.951 128 c N 0.825 119.398 118.600 -0.046 0.000 2.443 128 c HA 0.146 4.674 4.570 -0.070 0.000 0.369 128 c C -0.010 174.016 174.090 -0.106 0.000 1.241 128 c CA -0.403 55.882 56.329 -0.074 0.000 2.413 128 c CB 0.720 43.190 42.510 -0.068 0.000 2.451 128 c HN -0.049 8.157 8.230 -0.041 0.000 0.595 129 A N 1.367 124.086 122.820 -0.169 0.000 2.279 129 A HA 0.115 4.361 4.320 -0.123 0.000 0.303 129 A C -0.743 176.730 177.584 -0.185 0.000 1.108 129 A CA -0.393 51.540 52.037 -0.173 0.000 0.830 129 A CB 0.853 19.724 19.000 -0.215 0.000 1.106 129 A HN 0.138 8.157 8.150 -0.219 0.000 0.493 133 G N 0.739 109.501 108.800 -0.063 0.000 2.349 133 G HA2 -0.219 3.714 3.960 -0.045 0.000 0.213 133 G HA3 -0.219 3.716 3.960 -0.042 0.000 0.213 133 G C 0.336 175.204 174.900 -0.053 0.000 1.044 133 G CA -0.155 44.915 45.100 -0.050 0.000 0.633 133 G HN 0.430 8.567 8.290 -0.068 0.113 0.506 134 T N 4.758 119.270 114.554 -0.070 0.000 2.908 134 T HA -0.226 4.094 4.350 -0.050 0.000 0.301 134 T C -0.636 174.028 174.700 -0.060 0.000 1.019 134 T CA 2.556 64.615 62.100 -0.068 0.000 1.152 134 T CB 0.295 69.106 68.868 -0.096 0.000 0.966 134 T HN -0.565 7.538 8.240 -0.083 0.088 0.540 135 Q N 5.088 124.867 119.800 -0.034 0.000 2.261 135 Q HA 0.067 4.521 4.340 -0.016 -0.123 0.252 135 Q C -0.848 175.144 176.000 -0.013 0.000 0.915 135 Q CA 0.147 55.942 55.803 -0.012 0.000 0.915 135 Q CB 1.137 29.885 28.738 0.016 0.000 1.204 135 Q HN 0.182 8.435 8.270 -0.028 0.000 0.421 136 c N 1.344 119.939 118.600 -0.008 0.000 2.973 136 c HA 0.686 5.367 4.570 -0.005 -0.114 0.329 136 c C -1.883 172.220 174.090 0.022 0.000 1.327 136 c CA -1.345 54.979 56.329 -0.007 0.000 1.632 136 c CB 4.350 46.837 42.510 -0.038 0.000 2.098 136 c HN 0.701 8.818 8.230 -0.005 0.111 0.469 137 L N 0.159 121.401 121.223 0.032 0.000 2.356 137 L HA 0.859 5.407 4.340 0.055 -0.175 0.277 137 L C -2.401 174.489 176.870 0.033 0.000 0.996 137 L CA -1.403 53.468 54.840 0.052 0.000 0.822 137 L CB 3.528 45.639 42.059 0.088 0.000 1.256 137 L HN 0.794 8.926 8.230 0.026 0.114 0.413 138 I N 6.875 127.448 120.570 0.005 0.000 2.509 138 I HA 0.857 5.268 4.170 0.027 -0.225 0.293 138 I C -1.437 174.653 176.117 -0.045 0.000 1.020 138 I CA -1.570 59.730 61.300 0.001 0.000 1.088 138 I CB 2.792 40.792 38.000 0.000 0.000 1.267 138 I HN 0.973 9.183 8.210 0.000 0.000 0.430 139 S N 2.486 118.158 115.700 -0.047 0.000 2.618 139 S HA 1.007 5.510 4.470 -0.209 -0.158 0.277 139 S C -1.216 173.281 174.600 -0.173 0.000 1.138 139 S CA -1.781 56.319 58.200 -0.166 0.000 0.844 139 S CB 3.781 66.849 63.200 -0.221 0.000 1.127 139 S HN -0.194 8.123 8.310 0.011 0.000 0.474 140 G N -1.314 107.290 108.800 -0.327 0.000 2.316 140 G HA2 0.145 3.882 3.960 -0.372 0.000 0.296 140 G HA3 0.145 4.199 3.960 -0.037 -0.116 0.296 140 G C -2.369 172.315 174.900 -0.359 0.000 1.399 140 G CA 0.576 45.511 45.100 -0.275 0.000 0.833 140 G HN 0.269 8.307 8.290 -0.420 0.000 0.565 141 W N 1.132 122.406 121.300 -0.044 0.000 2.937 141 W HA 0.357 4.977 4.660 -0.067 0.000 0.435 141 W C -0.444 176.130 176.519 0.091 0.000 0.912 141 W CA -1.020 56.266 57.345 -0.098 0.000 2.209 141 W CB -0.006 29.197 29.460 -0.429 0.000 1.144 141 W HN 0.537 8.916 8.180 0.332 0.000 0.762 142 G N 0.768 109.727 108.800 0.266 0.000 2.580 142 G HA2 0.007 4.280 3.960 0.521 0.000 0.278 142 G HA3 0.007 4.243 3.960 0.222 -0.142 0.278 142 G C -0.992 173.896 174.900 -0.019 0.000 1.212 142 G CA -0.949 44.316 45.100 0.274 0.000 0.939 142 G HN -0.346 8.150 8.290 0.148 -0.117 0.513 143 N N -0.214 118.290 118.700 -0.327 0.000 2.294 143 N HA -0.308 3.895 4.740 -1.197 -0.182 0.248 143 N C 0.780 176.125 175.510 -0.276 0.000 1.242 143 N CA 1.301 53.941 53.050 -0.682 0.000 0.848 143 N CB 0.607 38.765 38.487 -0.549 0.000 1.084 143 N HN -0.039 8.278 8.380 -0.105 0.000 0.457 144 T N -0.821 113.588 114.554 -0.242 0.000 3.044 144 T HA 0.194 4.604 4.350 -0.093 -0.116 0.260 144 T C -0.179 174.471 174.700 -0.083 0.000 1.019 144 T CA 0.151 62.181 62.100 -0.117 0.000 0.921 144 T CB 1.519 70.338 68.868 -0.082 0.000 1.053 144 T HN 0.319 8.372 8.240 -0.312 0.000 0.533 145 K N 1.894 122.236 120.400 -0.096 0.000 2.270 145 K HA 0.358 4.656 4.320 -0.037 0.000 0.255 145 K C -0.465 176.113 176.600 -0.036 0.000 0.936 145 K CA -2.116 54.140 56.287 -0.052 0.000 0.809 145 K CB 2.174 34.647 32.500 -0.046 0.000 1.131 145 K HN -0.824 7.575 8.250 -0.148 -0.238 0.427 146 S N 1.996 117.686 115.700 -0.015 0.000 2.345 146 S HA -0.212 4.259 4.470 0.001 0.000 0.219 146 S C 0.318 174.921 174.600 0.004 0.000 1.031 146 S CA 2.100 60.300 58.200 -0.000 0.000 0.984 146 S CB 0.257 63.462 63.200 0.009 0.000 0.874 146 S HN 0.264 8.566 8.310 -0.012 0.000 0.451 147 S N 1.595 117.297 115.700 0.003 0.000 2.488 147 S HA 0.110 4.588 4.470 0.013 0.000 0.310 147 S C -0.736 173.867 174.600 0.005 0.000 1.093 147 S CA -0.028 58.177 58.200 0.008 0.000 1.129 147 S CB -0.713 62.492 63.200 0.010 0.000 0.989 147 S HN -0.392 7.918 8.310 0.000 0.000 0.479 148 G N 4.290 113.094 108.800 0.007 0.000 2.346 148 G HA2 -0.157 3.814 3.960 0.019 0.000 0.294 148 G HA3 -0.157 3.805 3.960 0.004 0.000 0.294 148 G C -2.629 172.272 174.900 0.002 0.000 1.294 148 G CA -0.363 44.742 45.100 0.009 0.000 0.962 148 G HN -0.326 7.971 8.290 0.011 0.000 0.508 149 T N 0.068 114.630 114.554 0.013 0.000 2.937 149 T HA 0.214 4.706 4.350 -0.065 -0.180 0.297 149 T C -1.633 173.075 174.700 0.014 0.000 0.991 149 T CA -0.150 61.960 62.100 0.017 0.000 0.990 149 T CB 2.494 71.434 68.868 0.120 0.000 0.991 149 T HN -0.073 8.181 8.240 0.022 0.000 0.440 150 S N 5.593 121.237 115.700 -0.093 0.000 2.689 150 S HA 0.222 4.741 4.470 0.082 0.000 0.274 150 S C -2.356 172.168 174.600 -0.127 0.000 1.176 150 S CA -0.078 58.111 58.200 -0.018 0.000 1.014 150 S CB 1.500 64.683 63.200 -0.028 0.000 1.071 150 S HN 0.647 9.151 8.310 -0.289 -0.367 0.478 151 Y N 5.331 125.665 120.300 0.057 0.000 2.335 151 Y HA 0.257 4.857 4.550 0.084 0.000 0.338 151 Y C -1.169 174.776 175.900 0.075 0.000 0.977 151 Y CA -2.830 55.316 58.100 0.077 0.000 1.114 151 Y CB 1.536 40.050 38.460 0.089 0.000 1.182 151 Y HN 0.115 8.563 8.280 0.279 0.000 0.463 152 P HA 0.371 4.865 4.420 0.123 0.000 0.279 152 P C -1.674 175.761 177.300 0.226 0.000 1.252 152 P CA -0.672 62.522 63.100 0.158 0.000 0.811 152 P CB 2.069 33.823 31.700 0.091 0.000 1.035 153 D N -1.390 119.122 120.400 0.187 0.000 2.388 153 D HA -0.053 4.681 4.640 0.156 0.000 0.208 153 D C -1.496 174.986 176.300 0.303 0.000 1.035 153 D CA 0.892 55.003 54.000 0.184 0.000 0.875 153 D CB 1.058 41.919 40.800 0.101 0.000 0.984 153 D HN 0.418 8.872 8.370 0.141 0.000 0.508 154 V N -6.983 113.087 119.914 0.261 0.000 2.881 154 V HA 0.664 5.264 4.120 0.398 -0.242 0.316 154 V C -0.708 175.391 176.094 0.009 0.000 1.070 154 V CA -2.643 59.799 62.300 0.236 0.000 0.976 154 V CB 2.330 34.215 31.823 0.102 0.000 1.038 154 V HN -1.015 7.281 8.190 0.177 0.000 0.446 155 L N 2.382 123.478 121.223 -0.213 0.000 2.490 155 L HA -0.056 3.491 4.340 -1.322 0.000 0.274 155 L C -0.512 176.107 176.870 -0.419 0.000 1.201 155 L CA 0.749 55.158 54.840 -0.719 0.000 0.869 155 L CB 0.401 42.057 42.059 -0.672 0.000 1.123 155 L HN -0.282 8.144 8.230 0.016 -0.186 0.484 156 K N 4.917 125.037 120.400 -0.466 0.000 2.259 156 K HA 0.627 4.904 4.320 -0.330 -0.155 0.252 156 K C -1.332 175.015 176.600 -0.421 0.000 0.936 156 K CA -2.417 53.654 56.287 -0.359 0.000 0.810 156 K CB 2.587 34.935 32.500 -0.252 0.000 1.143 156 K HN -0.334 7.550 8.250 -0.609 0.000 0.427 157 c N 0.532 118.787 118.600 -0.577 0.000 2.614 157 c HA 0.975 5.478 4.570 -0.398 -0.171 0.320 157 c C -1.717 171.986 174.090 -0.644 0.000 1.200 157 c CA -0.861 55.075 56.329 -0.655 0.000 1.700 157 c CB 3.395 45.372 42.510 -0.889 0.000 2.275 157 c HN 0.779 8.597 8.230 -0.686 0.000 0.492 158 L N 0.927 121.976 121.223 -0.290 0.000 2.526 158 L HA 0.440 4.766 4.340 -0.024 0.000 0.263 158 L C -2.623 174.290 176.870 0.071 0.000 0.943 158 L CA 0.242 55.047 54.840 -0.060 0.000 0.859 158 L CB 4.387 46.437 42.059 -0.015 0.000 1.313 158 L HN 0.806 8.911 8.230 -0.209 0.000 0.406 159 K N 6.779 127.285 120.400 0.176 0.000 2.213 159 K HA 0.948 5.590 4.320 0.120 -0.250 0.270 159 K C -1.388 175.349 176.600 0.227 0.000 1.002 159 K CA -1.106 55.282 56.287 0.170 0.000 0.868 159 K CB 1.528 34.135 32.500 0.179 0.000 1.093 159 K HN 0.268 8.653 8.250 0.225 0.000 0.454 160 A N 3.004 125.912 122.820 0.147 0.000 2.520 160 A HA 0.664 5.112 4.320 0.213 0.000 0.298 160 A C -3.153 174.400 177.584 -0.051 0.000 1.051 160 A CA -2.869 49.219 52.037 0.085 0.000 0.690 160 A CB 2.922 21.956 19.000 0.057 0.000 1.281 160 A HN 0.315 8.513 8.150 0.079 0.000 0.402 161 P HA 0.697 5.282 4.420 -0.071 -0.207 0.282 161 P C -1.110 176.124 177.300 -0.109 0.000 1.259 161 P CA -1.426 61.606 63.100 -0.113 0.000 0.826 161 P CB 1.677 33.314 31.700 -0.105 0.000 1.064 162 I N -0.982 119.542 120.570 -0.075 0.000 2.575 162 I HA -0.065 4.251 4.170 0.070 -0.104 0.285 162 I C 0.270 176.372 176.117 -0.026 0.000 1.085 162 I CA 0.595 61.878 61.300 -0.028 0.000 1.403 162 I CB 0.487 38.401 38.000 -0.143 0.000 1.409 162 I HN 0.035 8.193 8.210 -0.086 0.000 0.557 163 L N 5.330 126.570 121.223 0.028 0.000 2.358 163 L HA 0.406 4.730 4.340 -0.025 0.000 0.268 163 L C -0.751 176.133 176.870 0.024 0.000 1.032 163 L CA -1.380 53.464 54.840 0.007 0.000 0.805 163 L CB 0.994 43.062 42.059 0.015 0.000 1.253 163 L HN 0.381 8.675 8.230 0.108 0.000 0.452 164 S N -0.661 115.046 115.700 0.012 0.000 2.572 164 S HA -0.037 4.437 4.470 0.007 0.000 0.279 164 S C 0.621 175.244 174.600 0.037 0.000 1.341 164 S CA -0.762 57.447 58.200 0.015 0.000 1.043 164 S CB 1.100 64.303 63.200 0.006 0.000 0.887 164 S HN 0.208 8.519 8.310 0.002 0.000 0.516 165 D N 3.337 123.762 120.400 0.041 0.000 2.218 165 D HA -0.235 4.453 4.640 0.081 0.000 0.204 165 D C 1.852 178.183 176.300 0.051 0.000 0.976 165 D CA 3.486 57.521 54.000 0.059 0.000 0.853 165 D CB -0.186 40.647 40.800 0.055 0.000 0.939 165 D HN 0.595 8.982 8.370 0.028 0.000 0.481 166 S N -0.588 115.133 115.700 0.035 0.000 2.368 166 S HA -0.325 4.165 4.470 0.033 0.000 0.225 166 S C 1.625 176.242 174.600 0.027 0.000 1.030 166 S CA 3.269 61.487 58.200 0.029 0.000 0.999 166 S CB -0.059 63.151 63.200 0.018 0.000 0.844 166 S HN 0.099 8.397 8.310 0.028 0.029 0.459 167 S N 2.181 117.895 115.700 0.024 0.000 2.428 167 S HA -0.108 4.365 4.470 0.005 0.000 0.230 167 S C 1.642 176.258 174.600 0.026 0.000 1.014 167 S CA 2.872 61.080 58.200 0.015 0.000 0.957 167 S CB -0.231 62.974 63.200 0.008 0.000 0.784 167 S HN -0.572 7.752 8.310 0.024 0.000 0.499 168 c N 3.717 122.351 118.600 0.057 0.000 2.462 168 c HA -0.236 4.404 4.570 0.116 0.000 0.278 168 c C 1.959 176.131 174.090 0.137 0.000 1.253 168 c CA 2.921 59.313 56.329 0.106 0.000 1.713 168 c CB -1.790 40.784 42.510 0.106 0.000 2.049 168 c HN -0.380 7.771 8.230 0.055 0.112 0.477 169 K N -1.036 119.427 120.400 0.104 0.000 2.211 169 K HA -0.319 4.096 4.320 0.158 0.000 0.203 169 K C 2.102 178.744 176.600 0.070 0.000 1.050 169 K CA 3.119 59.470 56.287 0.108 0.000 0.945 169 K CB -0.086 32.462 32.500 0.079 0.000 0.732 169 K HN 0.080 8.380 8.250 0.084 0.000 0.451 170 S N -1.201 114.517 115.700 0.030 0.000 2.406 170 S HA -0.247 4.227 4.470 0.007 0.000 0.228 170 S C 0.688 175.253 174.600 -0.058 0.000 1.020 170 S CA 2.553 60.751 58.200 -0.004 0.000 0.965 170 S CB -0.028 63.165 63.200 -0.011 0.000 0.798 170 S HN -0.462 7.854 8.310 0.030 0.012 0.488 171 A N -0.820 121.934 122.820 -0.110 0.000 1.968 171 A HA -0.097 4.050 4.320 -0.290 0.000 0.217 171 A C -0.983 176.289 177.584 -0.519 0.000 1.169 171 A CA 1.716 53.544 52.037 -0.349 0.000 0.638 171 A CB 0.949 19.674 19.000 -0.459 0.000 0.812 171 A HN -0.793 7.217 8.150 -0.050 0.110 0.446 172 Y N -5.342 114.992 120.300 0.055 0.000 2.562 172 Y HA 0.442 5.060 4.550 0.112 0.000 0.363 172 Y C -2.580 173.377 175.900 0.095 0.000 0.991 172 Y CA -3.073 55.092 58.100 0.108 0.000 1.121 172 Y CB 0.012 38.585 38.460 0.188 0.000 1.159 172 Y HN -0.407 7.805 8.280 0.062 0.106 0.651 173 P HA 0.016 4.602 4.420 0.098 -0.107 0.264 173 P C 0.450 177.816 177.300 0.110 0.000 1.193 173 P CA 0.484 63.646 63.100 0.103 0.000 0.763 173 P CB 0.205 31.938 31.700 0.056 0.000 0.810 174 G N 5.117 113.973 108.800 0.093 0.000 2.166 174 G HA2 -0.243 3.753 3.960 0.060 0.000 0.260 174 G HA3 -0.243 3.748 3.960 0.052 0.000 0.260 174 G C 0.038 174.986 174.900 0.081 0.000 0.986 174 G CA 0.919 46.061 45.100 0.071 0.000 0.683 174 G HN 0.440 8.783 8.290 0.088 0.000 0.527 175 Q N -2.303 117.582 119.800 0.142 0.000 2.316 175 Q HA 0.083 4.457 4.340 0.057 0.000 0.235 175 Q C -0.224 175.904 176.000 0.213 0.000 0.863 175 Q CA -0.078 55.815 55.803 0.150 0.000 0.939 175 Q CB 1.658 30.536 28.738 0.234 0.000 1.108 175 Q HN -0.402 7.914 8.270 0.180 0.062 0.522 176 I N 0.312 121.007 120.570 0.209 0.000 2.342 176 I HA 0.006 4.315 4.170 0.232 0.000 0.291 176 I C 0.043 176.234 176.117 0.123 0.000 1.010 176 I CA -1.866 59.544 61.300 0.183 0.000 1.308 176 I CB -1.090 37.006 38.000 0.159 0.000 1.400 176 I HN -0.620 7.706 8.210 0.193 0.000 0.488 177 T N 2.933 117.557 114.554 0.117 0.000 2.922 177 T HA 0.365 4.755 4.350 0.066 0.000 0.281 177 T C 0.801 175.550 174.700 0.082 0.000 1.005 177 T CA -2.017 60.131 62.100 0.081 0.000 0.982 177 T CB 2.396 71.304 68.868 0.067 0.000 1.158 177 T HN -0.383 7.943 8.240 0.143 0.000 0.566 178 S N -2.068 113.668 115.700 0.059 0.000 2.555 178 S HA -0.193 4.315 4.470 0.063 0.000 0.230 178 S C 0.394 175.035 174.600 0.068 0.000 0.978 178 S CA 2.048 60.280 58.200 0.053 0.000 0.934 178 S CB -0.177 63.036 63.200 0.022 0.000 0.766 178 S HN 0.276 8.613 8.310 0.045 0.000 0.533 179 N N 0.371 119.123 118.700 0.087 0.000 2.268 179 N HA 0.160 4.966 4.740 0.110 0.000 0.204 179 N C -1.625 174.001 175.510 0.194 0.000 1.124 179 N CA -0.324 52.808 53.050 0.138 0.000 0.838 179 N CB 0.854 39.437 38.487 0.161 0.000 0.994 179 N HN -0.637 7.719 8.380 0.083 0.074 0.489 180 M N -1.386 118.313 119.600 0.164 0.000 2.619 180 M HA 0.804 5.544 4.480 0.089 -0.206 0.297 180 M C -2.177 174.234 176.300 0.185 0.000 1.229 180 M CA -0.376 54.995 55.300 0.119 0.000 0.860 180 M CB 5.080 37.721 32.600 0.067 0.000 1.741 180 M HN -0.771 7.518 8.290 0.144 0.088 0.462 181 F N -5.526 114.453 119.950 0.047 0.000 2.668 181 F HA 0.618 5.161 4.527 0.028 0.000 0.309 181 F C -2.579 173.259 175.800 0.062 0.000 1.117 181 F CA -1.839 56.188 58.000 0.045 0.000 0.951 181 F CB 2.192 41.220 39.000 0.046 0.000 1.323 181 F HN -0.144 8.028 8.300 -0.214 0.000 0.451 182 c N -0.004 118.731 118.600 0.224 0.000 2.397 182 c HA 0.972 5.739 4.570 0.033 -0.178 0.343 182 c C -1.112 173.145 174.090 0.279 0.000 1.188 182 c CA -1.132 55.280 56.329 0.138 0.000 1.992 182 c CB 2.917 45.478 42.510 0.086 0.000 2.358 182 c HN 0.848 9.253 8.230 0.292 0.000 0.518 183 A N 2.090 125.061 122.820 0.251 0.000 2.476 183 A HA 0.632 5.121 4.320 0.065 -0.130 0.280 183 A C -2.223 175.405 177.584 0.073 0.000 1.081 183 A CA -0.465 51.640 52.037 0.113 0.000 0.753 183 A CB 2.791 21.760 19.000 -0.052 0.000 1.248 183 A HN 0.352 8.692 8.150 0.317 0.000 0.424 184 Y N 3.040 123.373 120.300 0.054 0.000 2.404 184 Y HA 0.057 4.656 4.550 0.034 -0.028 0.344 184 Y C 1.132 177.050 175.900 0.030 0.000 0.995 184 Y CA -0.196 57.927 58.100 0.037 0.000 1.201 184 Y CB 0.244 38.723 38.460 0.032 0.000 1.151 184 Y HN 0.070 8.451 8.280 0.168 0.000 0.517 185 L N 4.226 125.508 121.223 0.098 0.000 2.275 185 L HA -0.338 4.030 4.340 0.047 0.000 0.215 185 L C 1.050 177.964 176.870 0.072 0.000 1.119 185 L CA 2.420 57.297 54.840 0.061 0.000 0.790 185 L CB -0.517 41.559 42.059 0.027 0.000 0.919 185 L HN 0.547 8.816 8.230 0.064 0.000 0.443 186 E N -2.116 118.148 120.200 0.106 0.000 2.274 186 E HA -0.152 4.228 4.350 0.051 0.000 0.194 186 E C 0.715 177.356 176.600 0.068 0.000 0.996 186 E CA 0.390 56.835 56.400 0.075 0.000 0.840 186 E CB -0.454 29.290 29.700 0.074 0.000 0.772 186 E HN 0.120 8.532 8.360 0.150 0.038 0.491 187 G N 0.546 109.407 108.800 0.101 0.000 3.436 187 G HA2 -0.351 3.666 3.960 0.096 0.000 0.685 187 G HA3 -0.351 3.641 3.960 0.053 0.000 0.685 187 G C -0.861 174.072 174.900 0.056 0.000 1.039 187 G CA -0.316 44.831 45.100 0.078 0.000 0.879 187 G HN -0.558 7.671 8.290 0.154 0.154 0.478 188 K N 2.002 122.416 120.400 0.024 0.000 7.249 188 K HA -0.594 4.023 4.320 0.021 -0.284 0.614 188 K C -1.221 175.473 176.600 0.156 0.000 2.577 188 K CA 0.768 57.087 56.287 0.052 0.000 1.968 188 K CB 0.165 32.625 32.500 -0.066 0.000 1.936 188 K HN 0.076 8.364 8.250 0.063 0.000 0.285 189 D N -0.483 119.989 120.400 0.121 0.000 2.808 189 D HA 0.229 4.980 4.640 0.185 0.000 0.294 189 D C -1.952 174.409 176.300 0.101 0.000 1.278 189 D CA -0.485 53.595 54.000 0.134 0.000 0.756 189 D CB 3.572 44.432 40.800 0.099 0.000 1.271 189 D HN -0.006 8.412 8.370 0.079 0.000 0.425 190 S N -1.400 114.373 115.700 0.121 0.000 2.707 190 S HA 0.317 4.897 4.470 0.077 -0.064 0.276 190 S C -1.529 173.107 174.600 0.059 0.000 1.179 190 S CA -0.539 57.723 58.200 0.102 0.000 0.992 190 S CB 1.878 65.182 63.200 0.174 0.000 1.030 190 S HN 0.263 8.661 8.310 0.146 0.000 0.554 191 c N -1.338 117.300 118.600 0.062 0.000 3.314 191 c HA 0.274 4.875 4.570 0.051 0.000 0.344 191 c C -1.346 172.810 174.090 0.111 0.000 1.461 191 c CA -0.797 55.567 56.329 0.060 0.000 1.249 191 c CB 3.007 45.530 42.510 0.022 0.000 1.632 191 c HN 0.277 8.799 8.230 0.080 -0.244 0.452 192 Q N 1.003 120.882 119.800 0.132 0.000 2.315 192 Q HA -0.166 4.303 4.340 0.215 0.000 0.289 192 Q C 0.888 177.060 176.000 0.287 0.000 1.044 192 Q CA 1.018 56.947 55.803 0.209 0.000 0.920 192 Q CB -0.489 28.378 28.738 0.215 0.000 1.214 192 Q HN 0.478 8.809 8.270 0.102 0.000 0.392 193 G N 4.885 113.871 108.800 0.309 0.000 2.259 193 G HA2 -0.423 3.743 3.960 0.343 0.000 0.217 193 G HA3 -0.423 3.873 3.960 0.559 0.000 0.217 193 G C 0.448 175.574 174.900 0.377 0.000 1.001 193 G CA 0.815 46.161 45.100 0.409 0.000 0.627 193 G HN 0.326 8.778 8.290 0.270 0.000 0.501 194 D N 2.427 122.983 120.400 0.261 0.000 2.333 194 D HA 0.075 4.851 4.640 0.228 0.000 0.208 194 D C 0.107 176.515 176.300 0.180 0.000 0.984 194 D CA 0.927 55.049 54.000 0.203 0.000 0.873 194 D CB 0.450 41.334 40.800 0.139 0.000 0.935 194 D HN 0.205 8.614 8.370 0.230 0.099 0.521 195 S N -0.075 115.735 115.700 0.184 0.000 2.817 195 S HA -0.410 4.328 4.470 0.220 -0.136 0.333 195 S C 1.110 175.747 174.600 0.061 0.000 1.227 195 S CA 2.117 60.413 58.200 0.160 0.000 1.027 195 S CB -0.921 62.375 63.200 0.160 0.000 0.732 195 S HN -0.486 7.967 8.310 0.209 -0.018 0.499 196 G N 4.988 113.824 108.800 0.061 0.000 2.253 196 G HA2 -0.458 3.594 3.960 0.025 0.000 0.251 196 G HA3 -0.458 3.610 3.960 -0.018 -0.119 0.251 196 G C 0.104 175.059 174.900 0.091 0.000 0.998 196 G CA 0.314 45.433 45.100 0.031 0.000 0.621 196 G HN 0.791 9.052 8.290 0.128 0.106 0.524 197 G N 1.478 110.351 108.800 0.122 0.000 2.664 197 G HA2 0.111 4.158 3.960 0.144 0.000 0.242 197 G HA3 0.111 4.241 3.960 0.140 -0.086 0.242 197 G C -2.434 172.559 174.900 0.155 0.000 1.225 197 G CA -1.572 43.613 45.100 0.142 0.000 0.849 197 G HN -0.227 8.010 8.290 0.125 0.127 0.581 198 P HA 0.230 4.858 4.420 0.140 -0.123 0.277 198 P C -1.500 175.874 177.300 0.124 0.000 1.240 198 P CA -0.680 62.518 63.100 0.164 0.000 0.798 198 P CB 1.438 33.296 31.700 0.263 0.000 0.979 199 V N 1.902 121.866 119.914 0.083 0.000 2.445 199 V HA 0.339 4.646 4.120 0.000 -0.186 0.283 199 V C -1.247 174.862 176.094 0.026 0.000 1.014 199 V CA -0.396 61.915 62.300 0.019 0.000 0.852 199 V CB 1.620 33.419 31.823 -0.039 0.000 1.021 199 V HN -0.304 7.938 8.190 0.087 0.000 0.435 200 V N 7.774 127.697 119.914 0.015 0.000 2.435 200 V HA 0.583 4.853 4.120 -0.054 -0.183 0.290 200 V C -1.280 174.804 176.094 -0.017 0.000 1.030 200 V CA -1.262 61.020 62.300 -0.029 0.000 0.881 200 V CB 2.605 34.390 31.823 -0.063 0.000 0.983 200 V HN 0.758 8.973 8.190 0.042 0.000 0.445 201 c N 6.197 124.773 118.600 -0.039 0.000 2.481 201 c HA 0.587 5.142 4.570 -0.025 0.000 0.324 201 c C 0.604 174.668 174.090 -0.043 0.000 1.170 201 c CA -1.497 54.807 56.329 -0.042 0.000 1.361 201 c CB 1.805 44.272 42.510 -0.073 0.000 1.977 201 c HN 0.485 8.684 8.230 -0.052 0.000 0.459 202 S N 3.487 119.170 115.700 -0.028 0.000 3.533 202 S HA -0.418 4.043 4.470 -0.014 0.000 0.347 202 S C -0.200 174.385 174.600 -0.026 0.000 1.101 202 S CA 1.034 59.219 58.200 -0.024 0.000 1.009 202 S CB -1.065 62.115 63.200 -0.032 0.000 0.916 202 S HN 1.183 9.482 8.310 -0.018 0.000 0.496 203 G N -4.232 104.551 108.800 -0.028 0.000 2.176 203 G HA2 -0.435 3.505 3.960 -0.033 0.000 0.253 203 G HA3 -0.435 3.510 3.960 -0.026 0.000 0.253 203 G C -1.461 173.396 174.900 -0.072 0.000 0.979 203 G CA 0.045 45.122 45.100 -0.039 0.000 0.641 203 G HN -0.052 8.197 8.290 -0.022 0.027 0.530 210 Q N 1.220 121.044 119.800 0.041 0.000 2.378 210 Q HA 0.224 4.606 4.340 0.070 0.000 0.229 210 Q C -0.294 175.873 176.000 0.278 0.000 0.882 210 Q CA 0.091 55.943 55.803 0.083 0.000 0.936 210 Q CB 2.949 31.662 28.738 -0.043 0.000 1.092 210 Q HN 0.412 8.699 8.270 0.028 0.000 0.535 211 G N -2.947 106.027 108.800 0.290 0.000 2.694 211 G HA2 0.598 5.055 3.960 0.412 0.000 0.290 211 G HA3 0.598 4.790 3.960 0.386 0.000 0.290 211 G C -3.231 171.791 174.900 0.203 0.000 1.386 211 G CA -0.817 44.490 45.100 0.346 0.000 0.872 211 G HN -0.295 8.102 8.290 0.179 0.000 0.475 212 I N -1.544 119.144 120.570 0.196 0.000 2.533 212 I HA 0.554 5.042 4.170 0.172 -0.215 0.290 212 I C -0.506 175.746 176.117 0.225 0.000 1.056 212 I CA -1.456 59.950 61.300 0.176 0.000 1.057 212 I CB 4.505 42.575 38.000 0.117 0.000 1.240 212 I HN -0.451 7.949 8.210 0.177 -0.084 0.423 213 V N 6.990 127.046 119.914 0.237 0.000 2.450 213 V HA -0.181 4.002 4.120 0.105 0.000 0.281 213 V C -1.193 174.959 176.094 0.097 0.000 1.019 213 V CA 1.924 64.318 62.300 0.156 0.000 1.062 213 V CB -1.131 30.805 31.823 0.188 0.000 0.979 213 V HN 0.503 8.712 8.190 0.211 0.107 0.477 214 S N 8.023 123.668 115.700 -0.091 0.000 3.142 214 S HA 0.421 5.199 4.470 0.350 -0.098 0.223 214 S C -0.755 173.843 174.600 -0.003 0.000 0.939 214 S CA 0.876 59.118 58.200 0.071 0.000 0.826 214 S CB 2.232 65.468 63.200 0.059 0.000 0.823 214 S HN -0.113 7.943 8.310 -0.423 0.000 0.612 215 W N -4.229 116.859 121.300 -0.354 0.000 2.940 215 W HA 0.299 4.800 4.660 -0.265 0.000 0.394 215 W C -3.041 173.280 176.519 -0.330 0.000 1.155 215 W CA -0.671 56.480 57.345 -0.322 0.000 1.165 215 W CB 0.589 29.858 29.460 -0.317 0.000 1.492 215 W HN -0.112 7.696 8.180 -0.620 0.000 0.593 216 G N -2.654 106.194 108.800 0.080 0.000 2.428 216 G HA2 0.211 3.925 3.960 -0.411 0.000 0.304 216 G HA3 0.211 4.117 3.960 -0.091 0.000 0.304 216 G C -2.233 172.799 174.900 0.219 0.000 1.303 216 G CA 0.077 45.140 45.100 -0.062 0.000 0.825 216 G HN -0.014 8.483 8.290 0.345 0.000 0.484 220 c N 2.079 120.711 118.600 0.054 0.000 3.517 220 c HA 0.308 5.070 4.570 0.050 -0.162 0.202 220 c C -1.334 172.783 174.090 0.045 0.000 1.370 220 c CA -1.248 55.109 56.329 0.046 0.000 1.308 220 c CB -1.478 41.050 42.510 0.030 0.000 1.840 220 c HN 0.276 8.535 8.230 0.049 0.000 0.525 221 Q N -1.672 118.160 119.800 0.054 0.000 2.938 221 Q HA 0.049 4.410 4.340 0.035 0.000 0.230 221 Q C -1.232 174.792 176.000 0.039 0.000 1.008 221 Q CA -0.650 55.178 55.803 0.042 0.000 0.925 221 Q CB 1.818 30.581 28.738 0.042 0.000 2.116 221 Q HN -0.167 8.141 8.270 0.062 0.000 0.515 222 K N 4.620 125.036 120.400 0.028 0.000 2.448 222 K HA -0.348 4.127 4.320 0.036 -0.133 0.278 222 K C 0.121 176.721 176.600 -0.000 0.000 1.009 222 K CA 1.301 57.601 56.287 0.022 0.000 0.995 222 K CB 0.094 32.603 32.500 0.016 0.000 0.917 222 K HN 0.288 8.553 8.250 0.024 0.000 0.481 223 N N 2.673 121.370 118.700 -0.005 0.000 2.753 223 N HA -0.467 4.252 4.740 -0.035 0.000 0.251 223 N C -1.581 173.867 175.510 -0.103 0.000 1.097 223 N CA 1.963 54.985 53.050 -0.046 0.000 0.786 223 N CB -0.629 37.823 38.487 -0.057 0.000 1.137 223 N HN 0.854 9.114 8.380 0.016 0.129 0.566 224 K N -1.388 118.983 120.400 -0.048 0.000 2.762 224 K HA 0.544 4.738 4.320 -0.210 0.000 0.180 224 K C -2.346 174.313 176.600 0.098 0.000 1.067 224 K CA -3.980 52.291 56.287 -0.027 0.000 0.973 224 K CB -0.018 32.510 32.500 0.047 0.000 1.290 224 K HN -0.594 7.588 8.250 -0.001 0.067 0.604 225 P HA -0.074 4.402 4.420 0.093 0.000 0.274 225 P C -0.792 176.536 177.300 0.047 0.000 1.260 225 P CA -0.443 62.716 63.100 0.098 0.000 0.793 225 P CB 1.166 32.913 31.700 0.078 0.000 1.048 226 G N -3.002 105.798 108.800 0.001 0.000 2.507 226 G HA2 0.298 4.057 3.960 -0.335 0.000 0.271 226 G HA3 0.298 4.161 3.960 -0.269 -0.064 0.271 226 G C -1.530 173.028 174.900 -0.569 0.000 1.189 226 G CA -0.748 44.176 45.100 -0.293 0.000 0.859 226 G HN -0.449 7.906 8.290 0.107 0.000 0.542 227 V N 1.241 120.501 119.914 -1.090 0.000 2.495 227 V HA 0.552 4.383 4.120 -0.734 -0.151 0.298 227 V C -0.949 174.373 176.094 -1.287 0.000 1.031 227 V CA -0.904 60.703 62.300 -1.155 0.000 0.871 227 V CB 2.254 32.906 31.823 -1.952 0.000 0.988 227 V HN 0.586 8.110 8.190 -1.109 0.000 0.432 228 Y N 4.987 124.870 120.300 -0.696 0.000 2.562 228 Y HA 0.583 5.042 4.550 -0.377 -0.135 0.343 228 Y C 0.280 175.904 175.900 -0.459 0.000 1.025 228 Y CA -2.207 55.514 58.100 -0.631 0.000 1.082 228 Y CB 3.871 41.706 38.460 -1.042 0.000 1.264 228 Y HN 0.991 8.888 8.280 -0.638 0.000 0.478 229 T N 3.912 118.436 114.554 -0.049 0.000 2.884 229 T HA 0.053 4.597 4.350 0.099 -0.135 0.298 229 T C -0.714 174.125 174.700 0.232 0.000 0.998 229 T CA 1.325 63.478 62.100 0.089 0.000 1.124 229 T CB 0.676 69.588 68.868 0.075 0.000 0.931 229 T HN 0.365 8.612 8.240 0.013 0.000 0.531 230 K N 8.140 128.759 120.400 0.365 0.000 2.142 230 K HA 0.193 4.938 4.320 0.707 0.000 0.250 230 K C 0.786 177.644 176.600 0.431 0.000 1.148 230 K CA -1.046 55.534 56.287 0.488 0.000 1.040 230 K CB -0.453 32.285 32.500 0.397 0.000 1.569 230 K HN 0.217 8.568 8.250 0.332 0.098 0.361 231 V N 5.137 125.290 119.914 0.398 0.000 2.453 231 V HA -0.534 3.908 4.120 0.535 0.000 0.252 231 V C 1.377 177.646 176.094 0.291 0.000 1.068 231 V CA 3.682 66.209 62.300 0.379 0.000 1.070 231 V CB -0.329 31.639 31.823 0.241 0.000 0.664 231 V HN 0.111 8.542 8.190 0.401 0.000 0.461 232 c N -4.271 114.430 118.600 0.169 0.000 2.409 232 c HA -0.185 4.434 4.570 0.081 0.000 0.288 232 c C 1.394 175.505 174.090 0.035 0.000 1.395 232 c CA 1.204 57.581 56.329 0.080 0.000 1.792 232 c CB -2.210 40.315 42.510 0.025 0.000 1.847 232 c HN 0.505 8.811 8.230 0.164 0.022 0.534 233 N N 0.805 119.496 118.700 -0.015 0.000 2.412 233 N HA -0.042 4.600 4.740 -0.164 0.000 0.184 233 N C 0.196 175.457 175.510 -0.415 0.000 1.101 233 N CA 0.932 53.822 53.050 -0.267 0.000 0.881 233 N CB 0.104 38.291 38.487 -0.500 0.000 0.969 233 N HN -0.232 8.139 8.380 0.081 0.057 0.459 234 Y N -4.424 115.956 120.300 0.132 0.000 2.612 234 Y HA 0.173 4.874 4.550 0.253 0.000 0.250 234 Y C 0.048 176.088 175.900 0.233 0.000 1.175 234 Y CA -0.872 57.367 58.100 0.231 0.000 1.205 234 Y CB -0.190 38.448 38.460 0.297 0.000 1.201 234 Y HN -0.103 8.127 8.280 0.223 0.184 0.532 235 V N 0.754 120.807 119.914 0.232 0.000 2.332 235 V HA -0.556 3.655 4.120 0.151 0.000 0.248 235 V C 1.416 177.579 176.094 0.114 0.000 1.055 235 V CA 4.901 67.290 62.300 0.147 0.000 1.038 235 V CB -0.518 31.353 31.823 0.080 0.000 0.651 235 V HN -0.542 7.746 8.190 0.164 0.000 0.450 236 S N -0.263 115.508 115.700 0.119 0.000 2.383 236 S HA -0.309 4.183 4.470 0.037 0.000 0.227 236 S C 1.769 176.439 174.600 0.117 0.000 1.026 236 S CA 3.105 61.357 58.200 0.086 0.000 0.981 236 S CB -0.415 62.832 63.200 0.078 0.000 0.818 236 S HN 0.048 8.429 8.310 0.118 0.000 0.472 237 W N 3.621 124.957 121.300 0.059 0.000 2.381 237 W HA -0.230 4.442 4.660 0.021 0.000 0.301 237 W C 1.216 177.741 176.519 0.010 0.000 1.205 237 W CA 3.280 60.661 57.345 0.060 0.000 1.285 237 W CB -0.034 29.535 29.460 0.182 0.000 1.133 237 W HN -0.437 7.966 8.180 0.372 0.000 0.521 238 I N -0.347 120.206 120.570 -0.029 0.000 2.113 238 I HA -0.764 2.950 4.170 -0.760 0.000 0.238 238 I C 1.761 177.643 176.117 -0.392 0.000 1.070 238 I CA 4.620 65.711 61.300 -0.349 0.000 1.332 238 I CB -0.228 37.730 38.000 -0.070 0.000 1.044 238 I HN 0.349 8.652 8.210 0.272 0.069 0.402 239 K N -1.788 118.487 120.400 -0.209 0.000 2.063 239 K HA -0.493 3.686 4.320 -0.235 0.000 0.208 239 K C 2.584 179.045 176.600 -0.232 0.000 1.048 239 K CA 3.749 59.916 56.287 -0.200 0.000 0.928 239 K CB -0.418 32.021 32.500 -0.101 0.000 0.713 239 K HN -0.007 8.182 8.250 -0.102 0.000 0.442 240 Q N -1.302 118.374 119.800 -0.206 0.000 2.079 240 Q HA -0.299 3.959 4.340 -0.138 0.000 0.200 240 Q C 2.248 178.079 176.000 -0.283 0.000 0.974 240 Q CA 3.599 59.292 55.803 -0.183 0.000 0.840 240 Q CB -0.116 28.563 28.738 -0.099 0.000 0.898 240 Q HN 0.218 8.283 8.270 -0.163 0.107 0.430 241 T N 2.533 116.803 114.554 -0.474 0.000 2.708 241 T HA -0.333 3.790 4.350 -0.379 0.000 0.266 241 T C 2.513 176.864 174.700 -0.583 0.000 1.037 241 T CA 5.264 67.025 62.100 -0.565 0.000 1.146 241 T CB -0.280 68.001 68.868 -0.977 0.000 0.865 241 T HN -0.062 7.841 8.240 -0.561 0.000 0.435 242 I N -2.370 117.718 120.570 -0.803 0.000 2.493 242 I HA -0.214 3.098 4.170 -1.430 0.000 0.254 242 I C 1.349 177.246 176.117 -0.367 0.000 1.160 242 I CA 3.005 63.697 61.300 -1.014 0.000 1.445 242 I CB -0.660 36.537 38.000 -1.340 0.000 1.086 242 I HN -0.022 7.722 8.210 -0.778 0.000 0.433 243 A N 0.093 122.755 122.820 -0.262 0.000 2.067 243 A HA -0.057 4.230 4.320 -0.054 0.000 0.217 243 A C 0.753 178.305 177.584 -0.053 0.000 1.156 243 A CA 2.171 54.145 52.037 -0.104 0.000 0.683 243 A CB -0.381 18.563 19.000 -0.093 0.000 0.808 243 A HN -0.211 7.727 8.150 -0.319 0.021 0.455 244 S N -3.116 112.536 115.700 -0.080 0.000 2.572 244 S HA 0.147 4.614 4.470 -0.006 0.000 0.228 244 S C -0.919 173.698 174.600 0.029 0.000 0.963 244 S CA 0.343 58.528 58.200 -0.025 0.000 0.939 244 S CB 0.575 63.748 63.200 -0.045 0.000 0.804 244 S HN -0.499 7.568 8.310 -0.157 0.148 0.480 245 N N 0.000 118.755 118.700 0.092 0.000 1.763 245 N HA 0.000 4.830 4.740 0.150 0.000 0.220 245 N CA 0.000 53.187 53.050 0.228 0.000 0.885 245 N CB 0.000 38.689 38.487 0.337 0.000 1.341 245 N HN 0.000 8.247 8.380 0.068 0.174 0.667