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 2h35_1_D DATA FIRST_RESID 1 DATA SEQUENCE VHLTPEEKSA VTALWGKVNV DEVGGEALGR LLVVYPWTQR FFESFGDLST DATA SEQUENCE PDAVMGNPKV KAHGKKVLGA FSDGLAHLDN LKGTFATLSE LHCDKLHVDP DATA SEQUENCE ENFRLLGNVL VCVLAHHFGK EFTPPVQAAY QKVVAGVANA LAHKYH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 V HA 0.000 3.769 4.120 -0.585 0.000 0.244 1 V C 0.000 175.908 176.094 -0.310 0.000 1.182 1 V CA 0.000 62.087 62.300 -0.356 0.000 1.235 1 V CB 0.000 31.704 31.823 -0.198 0.000 1.184 2 H N 1.522 120.555 119.070 -0.061 0.000 5.312 2 H HA 0.188 4.706 4.556 -0.063 0.000 0.786 2 H C -2.085 173.213 175.328 -0.050 0.000 1.978 2 H CA -0.689 55.325 56.048 -0.056 0.000 1.573 2 H CB -0.569 29.165 29.762 -0.047 0.000 3.839 2 H HN -0.061 7.834 8.280 -0.640 0.000 0.562 3 L N 1.563 122.777 121.223 -0.016 0.000 2.277 3 L HA 0.463 4.817 4.340 0.025 0.000 0.254 3 L C -0.223 176.640 176.870 -0.013 0.000 1.044 3 L CA -1.796 53.034 54.840 -0.017 0.000 0.842 3 L CB 2.515 44.533 42.059 -0.069 0.000 1.422 3 L HN -0.281 7.925 8.230 -0.040 0.000 0.422 4 T N -1.882 112.665 114.554 -0.012 0.000 2.882 4 T HA 0.393 4.735 4.350 -0.014 0.000 0.287 4 T C -0.262 174.422 174.700 -0.028 0.000 0.992 4 T CA -2.785 59.306 62.100 -0.016 0.000 1.076 4 T CB 0.541 69.403 68.868 -0.009 0.000 0.961 4 T HN 0.375 8.610 8.240 -0.009 0.000 0.490 5 P HA -0.306 4.085 4.420 -0.048 0.000 0.219 5 P C 1.024 178.305 177.300 -0.032 0.000 1.145 5 P CA 2.453 65.531 63.100 -0.036 0.000 0.813 5 P CB 0.071 31.754 31.700 -0.030 0.000 0.771 6 E N -3.762 116.424 120.200 -0.024 0.000 2.033 6 E HA -0.138 4.201 4.350 -0.017 0.000 0.189 6 E C 2.175 178.764 176.600 -0.019 0.000 0.979 6 E CA 2.950 59.339 56.400 -0.018 0.000 0.802 6 E CB -0.617 29.076 29.700 -0.012 0.000 0.763 6 E HN 0.522 8.809 8.360 -0.021 0.060 0.449 7 E N -1.302 118.887 120.200 -0.019 0.000 2.274 7 E HA -0.193 4.152 4.350 -0.009 0.000 0.194 7 E C 2.099 178.679 176.600 -0.032 0.000 0.996 7 E CA 2.089 58.479 56.400 -0.017 0.000 0.840 7 E CB 0.207 29.899 29.700 -0.014 0.000 0.772 7 E HN -0.707 7.642 8.360 -0.018 0.000 0.491 8 K N -0.774 119.596 120.400 -0.050 0.000 2.186 8 K HA -0.142 4.119 4.320 -0.099 0.000 0.202 8 K C 1.480 178.026 176.600 -0.090 0.000 1.052 8 K CA 2.732 58.968 56.287 -0.085 0.000 0.965 8 K CB 0.114 32.556 32.500 -0.096 0.000 0.746 8 K HN 0.498 8.590 8.250 -0.044 0.132 0.457 9 S N 0.066 115.728 115.700 -0.063 0.000 2.442 9 S HA -0.241 4.183 4.470 -0.077 0.000 0.236 9 S C 1.818 176.395 174.600 -0.039 0.000 1.007 9 S CA 3.157 61.323 58.200 -0.057 0.000 0.965 9 S CB -0.494 62.685 63.200 -0.036 0.000 0.773 9 S HN -0.330 7.846 8.310 -0.050 0.103 0.504 10 A N 1.505 124.312 122.820 -0.021 0.000 1.850 10 A HA -0.097 4.231 4.320 0.014 0.000 0.212 10 A C 1.301 178.906 177.584 0.036 0.000 1.208 10 A CA 2.851 54.895 52.037 0.012 0.000 0.609 10 A CB -0.739 18.275 19.000 0.024 0.000 0.860 10 A HN -0.667 7.432 8.150 -0.025 0.036 0.448 11 V N -3.706 116.227 119.914 0.032 0.000 2.720 11 V HA -0.427 3.834 4.120 0.236 0.000 0.256 11 V C 0.980 177.039 176.094 -0.059 0.000 1.082 11 V CA 2.780 65.130 62.300 0.084 0.000 1.101 11 V CB 0.024 31.861 31.823 0.025 0.000 0.693 11 V HN -0.801 7.393 8.190 0.008 0.000 0.479 12 T N -0.589 113.864 114.554 -0.169 0.000 2.937 12 T HA -0.094 3.840 4.350 -0.695 0.000 0.260 12 T C 1.761 176.372 174.700 -0.148 0.000 1.051 12 T CA 2.859 64.751 62.100 -0.347 0.000 1.141 12 T CB 0.261 68.954 68.868 -0.293 0.000 0.879 12 T HN -0.331 7.800 8.240 -0.119 0.037 0.459 13 A N 2.637 125.440 122.820 -0.029 0.000 2.014 13 A HA -0.077 4.262 4.320 0.030 0.000 0.218 13 A C 1.460 179.111 177.584 0.113 0.000 1.163 13 A CA 2.483 54.541 52.037 0.035 0.000 0.652 13 A CB -0.821 18.187 19.000 0.013 0.000 0.808 13 A HN -0.192 7.733 8.150 -0.036 0.204 0.449 14 L N -2.529 118.791 121.223 0.161 0.000 2.349 14 L HA -0.406 3.943 4.340 0.014 0.000 0.220 14 L C 0.865 177.906 176.870 0.285 0.000 1.130 14 L CA 2.305 57.247 54.840 0.171 0.000 0.791 14 L CB -0.327 41.885 42.059 0.256 0.000 0.918 14 L HN -0.146 8.144 8.230 0.139 0.024 0.444 15 W N -0.854 120.433 121.300 -0.022 0.000 2.317 15 W HA -0.459 4.210 4.660 0.014 0.000 0.318 15 W C 2.605 179.103 176.519 -0.036 0.000 1.227 15 W CA 2.036 59.377 57.345 -0.008 0.000 1.269 15 W CB -0.251 29.213 29.460 0.006 0.000 1.155 15 W HN -0.583 7.785 8.180 0.588 0.165 0.484 16 G N -2.797 106.111 108.800 0.181 0.000 2.459 16 G HA2 -0.402 3.593 3.960 0.058 0.000 0.217 16 G HA3 -0.402 3.585 3.960 0.044 0.000 0.217 16 G C 0.170 175.040 174.900 -0.051 0.000 1.183 16 G CA 1.404 46.535 45.100 0.051 0.000 0.776 16 G HN -0.515 7.912 8.290 0.229 0.000 0.552 17 K N -0.522 119.787 120.400 -0.152 0.000 2.218 17 K HA -0.311 3.799 4.320 -0.351 0.000 0.205 17 K C 0.607 176.960 176.600 -0.412 0.000 1.046 17 K CA 1.864 57.875 56.287 -0.459 0.000 0.933 17 K CB 0.146 32.165 32.500 -0.802 0.000 0.728 17 K HN -0.681 7.511 8.250 -0.097 0.000 0.454 18 V N -0.475 119.326 119.914 -0.189 0.000 2.406 18 V HA -0.082 4.125 4.120 0.144 0.000 0.272 18 V C -0.837 175.221 176.094 -0.060 0.000 1.043 18 V CA -0.494 61.772 62.300 -0.056 0.000 0.915 18 V CB 0.700 32.418 31.823 -0.176 0.000 0.988 18 V HN -0.338 7.600 8.190 -0.139 0.168 0.466 19 N N 9.296 127.991 118.700 -0.007 0.000 3.178 19 N HA -0.031 4.692 4.740 -0.028 0.000 0.300 19 N C 0.612 176.076 175.510 -0.076 0.000 1.242 19 N CA -0.117 52.912 53.050 -0.035 0.000 1.192 19 N CB -1.061 37.412 38.487 -0.024 0.000 1.463 19 N HN 0.663 9.076 8.380 0.055 0.000 0.539 20 V N 1.727 121.570 119.914 -0.119 0.000 2.909 20 V HA -0.546 3.484 4.120 -0.150 0.000 0.265 20 V C 0.317 176.371 176.094 -0.066 0.000 1.128 20 V CA 3.344 65.565 62.300 -0.131 0.000 1.149 20 V CB -0.250 31.468 31.823 -0.174 0.000 0.725 20 V HN -0.419 7.634 8.190 -0.139 0.054 0.511 21 D N -3.683 116.688 120.400 -0.047 0.000 2.311 21 D HA -0.272 4.358 4.640 -0.017 0.000 0.212 21 D C 0.721 177.007 176.300 -0.022 0.000 0.972 21 D CA 2.350 56.335 54.000 -0.025 0.000 0.887 21 D CB 0.021 40.810 40.800 -0.018 0.000 0.915 21 D HN 0.122 8.371 8.370 -0.049 0.091 0.497 22 E N -4.791 115.387 120.200 -0.036 0.000 2.521 22 E HA 0.021 4.366 4.350 -0.008 0.000 0.199 22 E C 1.633 178.208 176.600 -0.042 0.000 1.006 22 E CA 0.538 56.921 56.400 -0.028 0.000 1.630 22 E CB 2.293 31.972 29.700 -0.035 0.000 2.725 22 E HN -0.104 8.064 8.360 -0.052 0.161 1.103 23 V N 1.161 121.030 119.914 -0.075 0.000 2.636 23 V HA -0.386 3.669 4.120 -0.108 0.000 0.258 23 V C 1.450 177.517 176.094 -0.046 0.000 1.092 23 V CA 4.603 66.850 62.300 -0.089 0.000 1.110 23 V CB -0.670 31.086 31.823 -0.112 0.000 0.685 23 V HN 0.079 8.220 8.190 -0.082 0.000 0.481 24 G N -2.899 105.884 108.800 -0.029 0.000 2.484 24 G HA2 -0.169 3.800 3.960 0.016 0.000 0.218 24 G HA3 -0.169 3.955 3.960 0.025 -0.149 0.218 24 G C 1.137 176.076 174.900 0.066 0.000 1.130 24 G CA 1.139 46.251 45.100 0.019 0.000 0.784 24 G HN -0.386 7.830 8.290 -0.039 0.051 0.543 25 G N 0.824 109.654 108.800 0.050 0.000 2.453 25 G HA2 -0.117 3.992 3.960 0.116 0.000 0.215 25 G HA3 -0.117 3.877 3.960 0.058 0.000 0.215 25 G C 0.870 175.799 174.900 0.047 0.000 1.147 25 G CA 0.801 45.943 45.100 0.071 0.000 0.802 25 G HN 0.424 8.553 8.290 0.021 0.174 0.535 26 E N 1.914 122.126 120.200 0.020 0.000 2.274 26 E HA -0.259 4.099 4.350 0.013 0.000 0.194 26 E C 1.847 178.465 176.600 0.030 0.000 0.996 26 E CA 2.063 58.472 56.400 0.015 0.000 0.840 26 E CB -0.142 29.555 29.700 -0.005 0.000 0.772 26 E HN -0.527 7.836 8.360 0.005 0.000 0.491 27 A N -0.530 122.314 122.820 0.041 0.000 1.898 27 A HA -0.198 4.152 4.320 0.049 0.000 0.216 27 A C 1.769 179.394 177.584 0.070 0.000 1.181 27 A CA 3.001 55.071 52.037 0.056 0.000 0.620 27 A CB -0.685 18.350 19.000 0.060 0.000 0.819 27 A HN -0.481 7.663 8.150 0.036 0.028 0.442 28 L N -2.630 118.647 121.223 0.090 0.000 2.049 28 L HA -0.287 4.095 4.340 0.071 0.000 0.203 28 L C 2.235 179.105 176.870 0.000 0.000 1.074 28 L CA 2.503 57.393 54.840 0.083 0.000 0.749 28 L CB -0.227 41.955 42.059 0.205 0.000 0.907 28 L HN -0.714 7.578 8.230 0.102 0.000 0.439 29 G N -2.747 106.057 108.800 0.008 0.000 2.517 29 G HA2 -0.403 3.527 3.960 -0.048 0.000 0.222 29 G HA3 -0.403 3.548 3.960 -0.013 0.000 0.222 29 G C 1.323 176.209 174.900 -0.024 0.000 1.109 29 G CA 2.141 47.227 45.100 -0.023 0.000 0.746 29 G HN -0.288 8.022 8.290 0.032 0.000 0.576 30 R N 1.268 121.768 120.500 -0.001 0.000 2.066 30 R HA -0.025 4.314 4.340 -0.001 0.000 0.224 30 R C 1.860 178.168 176.300 0.013 0.000 1.122 30 R CA 1.529 57.634 56.100 0.008 0.000 0.974 30 R CB -0.437 29.881 30.300 0.030 0.000 0.871 30 R HN -0.650 7.497 8.270 0.014 0.131 0.435 31 L N 0.698 121.937 121.223 0.026 0.000 2.137 31 L HA -0.351 4.085 4.340 0.160 0.000 0.213 31 L C 1.864 178.753 176.870 0.030 0.000 1.085 31 L CA 3.196 58.077 54.840 0.068 0.000 0.760 31 L CB -0.320 41.755 42.059 0.026 0.000 0.893 31 L HN -0.475 7.709 8.230 0.026 0.061 0.434 32 L N -4.394 116.781 121.223 -0.080 0.000 2.044 32 L HA -0.274 4.163 4.340 -0.137 -0.179 0.205 32 L C 1.134 177.985 176.870 -0.032 0.000 1.075 32 L CA 2.701 57.476 54.840 -0.108 0.000 0.747 32 L CB -0.120 41.840 42.059 -0.164 0.000 0.903 32 L HN -0.671 7.474 8.230 -0.097 0.027 0.435 33 V N -2.995 116.898 119.914 -0.034 0.000 2.233 33 V HA -0.381 3.719 4.120 -0.033 0.000 0.247 33 V C 1.810 177.855 176.094 -0.083 0.000 1.050 33 V CA 2.681 64.957 62.300 -0.041 0.000 1.010 33 V CB -0.002 31.799 31.823 -0.036 0.000 0.637 33 V HN -0.869 7.222 8.190 -0.037 0.077 0.444 34 V N -3.256 116.589 119.914 -0.115 0.000 2.759 34 V HA -0.303 3.608 4.120 -0.349 0.000 0.256 34 V C 0.249 175.928 176.094 -0.692 0.000 1.080 34 V CA 2.456 64.540 62.300 -0.361 0.000 1.101 34 V CB -0.020 31.640 31.823 -0.270 0.000 0.698 34 V HN -0.503 7.656 8.190 -0.053 0.000 0.477 35 Y N -4.302 116.063 120.300 0.108 0.000 2.517 35 Y HA 0.335 5.120 4.550 0.393 0.000 0.328 35 Y C -2.282 173.690 175.900 0.121 0.000 1.130 35 Y CA -2.313 55.949 58.100 0.271 0.000 1.280 35 Y CB 0.944 39.611 38.460 0.345 0.000 1.101 35 Y HN -0.448 7.633 8.280 0.054 0.232 0.610 36 P HA 0.121 4.513 4.420 -0.037 0.005 0.245 36 P C -0.263 177.087 177.300 0.083 0.000 1.206 36 P CA 0.557 63.697 63.100 0.067 0.000 0.781 36 P CB 0.571 32.307 31.700 0.060 0.000 0.994 37 W N -3.314 118.024 121.300 0.064 0.000 2.468 37 W HA -0.100 4.586 4.660 0.042 0.000 0.262 37 W C 0.246 176.805 176.519 0.067 0.000 1.241 37 W CA -0.973 56.409 57.345 0.061 0.000 1.232 37 W CB -1.669 27.837 29.460 0.077 0.000 1.124 37 W HN -0.152 8.398 8.180 0.714 0.059 0.597 38 T N -1.753 112.266 114.554 -0.892 0.000 3.722 38 T HA -0.165 3.647 4.350 -0.897 0.000 0.247 38 T C -0.583 173.967 174.700 -0.250 0.000 1.004 38 T CA -0.708 60.932 62.100 -0.766 0.000 0.947 38 T CB -1.584 66.833 68.868 -0.752 0.000 1.114 38 T HN -0.624 7.029 8.240 -0.903 0.045 0.633 39 Q N 0.487 120.206 119.800 -0.136 0.000 2.373 39 Q HA -0.166 4.205 4.340 0.051 0.000 0.206 39 Q C 0.268 176.249 176.000 -0.031 0.000 0.942 39 Q CA 0.968 56.765 55.803 -0.011 0.000 0.953 39 Q CB -0.342 28.408 28.738 0.019 0.000 1.022 39 Q HN 0.040 8.090 8.270 -0.120 0.149 0.502 40 R N -3.404 117.002 120.500 -0.157 0.000 2.112 40 R HA -0.087 4.129 4.340 -0.207 0.000 0.216 40 R C 1.404 177.469 176.300 -0.392 0.000 1.080 40 R CA 1.982 57.879 56.100 -0.338 0.000 0.996 40 R CB 0.171 30.116 30.300 -0.591 0.000 0.902 40 R HN -0.190 7.853 8.270 -0.191 0.112 0.449 41 F N -2.176 117.805 119.950 0.052 0.000 2.262 41 F HA -0.018 4.550 4.527 0.069 0.000 0.292 41 F C 1.198 177.140 175.800 0.236 0.000 1.081 41 F CA 1.884 59.956 58.000 0.120 0.000 1.355 41 F CB 0.667 39.750 39.000 0.138 0.000 1.069 41 F HN -0.846 7.430 8.300 -0.041 0.000 0.506 42 F N -2.296 117.787 119.950 0.220 0.000 2.802 42 F HA -0.205 4.573 4.527 0.419 0.000 0.302 42 F C 0.068 175.990 175.800 0.204 0.000 1.211 42 F CA -0.353 57.824 58.000 0.293 0.000 1.431 42 F CB -1.153 37.978 39.000 0.218 0.000 1.114 42 F HN -0.784 7.887 8.300 0.617 0.000 0.567 43 E N -1.374 118.947 120.200 0.201 0.000 2.409 43 E HA -0.365 4.054 4.350 0.114 0.000 0.198 43 E C 1.149 177.769 176.600 0.033 0.000 1.024 43 E CA 2.051 58.507 56.400 0.092 0.000 0.861 43 E CB -0.520 29.193 29.700 0.022 0.000 0.788 43 E HN -0.259 8.063 8.360 0.183 0.148 0.521 44 S N 0.382 116.058 115.700 -0.041 0.000 2.377 44 S HA -0.196 4.207 4.470 -0.112 0.000 0.223 44 S C 1.511 175.989 174.600 -0.202 0.000 1.030 44 S CA 2.269 60.366 58.200 -0.172 0.000 0.970 44 S CB -0.277 62.734 63.200 -0.316 0.000 0.830 44 S HN -0.606 7.629 8.310 -0.023 0.060 0.473 45 F N -0.516 119.322 119.950 -0.186 0.000 2.271 45 F HA -0.345 4.070 4.527 -0.186 0.000 0.302 45 F C 1.318 177.077 175.800 -0.070 0.000 1.063 45 F CA 2.235 60.134 58.000 -0.168 0.000 1.362 45 F CB -0.112 38.770 39.000 -0.198 0.000 1.060 45 F HN -0.815 7.368 8.300 -0.194 0.000 0.521 46 G N -0.689 108.177 108.800 0.110 0.000 4.982 46 G HA2 -0.575 3.418 3.960 0.056 0.000 0.351 46 G HA3 -0.575 3.410 3.960 0.042 0.000 0.351 46 G C 0.066 175.022 174.900 0.094 0.000 1.462 46 G CA 0.941 46.084 45.100 0.072 0.000 1.248 46 G HN -0.685 7.493 8.290 0.094 0.169 0.842 47 D N 3.394 123.851 120.400 0.095 0.000 2.536 47 D HA -0.230 4.445 4.640 0.057 0.000 0.260 47 D C -0.636 175.714 176.300 0.084 0.000 1.270 47 D CA 1.051 55.098 54.000 0.078 0.000 0.934 47 D CB 0.146 40.992 40.800 0.076 0.000 1.129 47 D HN -0.048 8.358 8.370 0.093 0.019 0.533 48 L N 4.300 125.563 121.223 0.066 0.000 3.766 48 L HA 0.176 4.546 4.340 0.051 0.000 0.370 48 L C -0.654 176.242 176.870 0.043 0.000 1.320 48 L CA 0.224 55.101 54.840 0.061 0.000 1.098 48 L CB 0.603 42.716 42.059 0.090 0.000 1.405 48 L HN -0.294 7.969 8.230 0.055 0.000 0.608 49 S N 0.971 116.692 115.700 0.035 0.000 2.374 49 S HA -0.244 4.242 4.470 0.027 0.000 0.227 49 S C -0.211 174.402 174.600 0.022 0.000 1.037 49 S CA 2.576 60.792 58.200 0.027 0.000 1.024 49 S CB 0.353 63.566 63.200 0.022 0.000 0.861 49 S HN 0.484 8.816 8.310 0.037 0.000 0.456 50 T N -4.744 109.821 114.554 0.019 0.000 2.894 50 T HA 0.344 4.702 4.350 0.014 0.000 0.309 50 T C -2.054 172.651 174.700 0.010 0.000 1.208 50 T CA -2.794 59.314 62.100 0.013 0.000 1.016 50 T CB 1.484 70.358 68.868 0.010 0.000 1.192 50 T HN -0.877 7.370 8.240 0.021 0.005 0.491 51 P HA -0.295 4.122 4.420 -0.005 0.000 0.218 51 P C 0.646 177.944 177.300 -0.003 0.000 1.152 51 P CA 2.868 65.967 63.100 -0.002 0.000 0.857 51 P CB 0.046 31.743 31.700 -0.005 0.000 0.787 52 D N -3.013 117.387 120.400 0.000 0.000 2.224 52 D HA -0.142 4.498 4.640 -0.001 0.000 0.205 52 D C 1.625 177.927 176.300 0.004 0.000 0.965 52 D CA 2.496 56.497 54.000 0.001 0.000 0.852 52 D CB -0.707 40.094 40.800 0.002 0.000 0.947 52 D HN -0.560 7.784 8.370 0.002 0.027 0.494 53 A N -1.660 121.165 122.820 0.008 0.000 2.121 53 A HA -0.175 4.154 4.320 0.015 0.000 0.218 53 A C 0.972 178.562 177.584 0.010 0.000 1.154 53 A CA 2.362 54.408 52.037 0.014 0.000 0.679 53 A CB -0.557 18.456 19.000 0.022 0.000 0.795 53 A HN 0.368 8.362 8.150 0.009 0.161 0.458 54 V N -2.339 117.573 119.914 -0.003 0.000 2.283 54 V HA -0.423 3.672 4.120 -0.042 0.000 0.243 54 V C 2.450 178.527 176.094 -0.028 0.000 1.039 54 V CA 3.324 65.605 62.300 -0.031 0.000 1.016 54 V CB 0.011 31.809 31.823 -0.041 0.000 0.650 54 V HN -0.723 7.305 8.190 -0.002 0.161 0.449 55 M N -2.113 117.479 119.600 -0.014 0.000 2.374 55 M HA -0.116 4.359 4.480 -0.008 0.000 0.264 55 M C 2.423 178.725 176.300 0.004 0.000 1.067 55 M CA 0.284 55.580 55.300 -0.006 0.000 1.103 55 M CB -2.122 30.476 32.600 -0.003 0.000 1.402 55 M HN -0.574 7.709 8.290 -0.012 0.000 0.444 56 G N -1.705 107.099 108.800 0.007 0.000 2.712 56 G HA2 -0.160 3.808 3.960 0.014 0.000 0.212 56 G HA3 -0.160 3.809 3.960 0.015 0.000 0.212 56 G C -0.673 174.242 174.900 0.026 0.000 1.142 56 G CA -0.198 44.911 45.100 0.015 0.000 0.789 56 G HN -0.322 7.836 8.290 0.005 0.134 0.535 57 N N 2.696 121.413 118.700 0.029 0.000 2.513 57 N HA 0.245 5.023 4.740 0.062 0.000 0.268 57 N C -0.774 174.777 175.510 0.068 0.000 1.180 57 N CA -2.228 50.858 53.050 0.058 0.000 0.948 57 N CB 1.422 39.953 38.487 0.074 0.000 1.083 57 N HN -0.549 7.654 8.380 0.015 0.186 0.455 58 P HA 0.000 4.455 4.420 0.057 0.000 0.219 58 P C 1.221 178.584 177.300 0.104 0.000 1.154 58 P CA 1.955 65.097 63.100 0.071 0.000 0.826 58 P CB 0.848 32.579 31.700 0.053 0.000 0.795 59 K N -0.820 119.668 120.400 0.147 0.000 2.026 59 K HA -0.245 4.164 4.320 0.149 0.000 0.208 59 K C 2.398 179.181 176.600 0.305 0.000 1.048 59 K CA 3.403 59.814 56.287 0.207 0.000 0.929 59 K CB -0.424 32.193 32.500 0.194 0.000 0.713 59 K HN 0.267 8.814 8.250 0.145 -0.210 0.439 60 V N -0.961 119.130 119.914 0.295 0.000 2.370 60 V HA -0.502 3.760 4.120 0.236 0.000 0.252 60 V C 2.075 178.269 176.094 0.166 0.000 1.068 60 V CA 4.033 66.436 62.300 0.171 0.000 1.061 60 V CB -0.237 31.566 31.823 -0.034 0.000 0.656 60 V HN -0.236 8.395 8.190 0.270 -0.279 0.455 61 K N -1.331 119.143 120.400 0.123 0.000 2.025 61 K HA -0.296 4.067 4.320 0.072 0.000 0.207 61 K C 1.959 178.619 176.600 0.099 0.000 1.049 61 K CA 2.964 59.303 56.287 0.087 0.000 0.933 61 K CB -0.710 31.825 32.500 0.058 0.000 0.714 61 K HN -0.772 7.433 8.250 0.117 0.115 0.438 62 A N -1.292 121.597 122.820 0.114 0.000 1.970 62 A HA -0.204 4.151 4.320 0.059 0.000 0.216 62 A C 1.391 179.045 177.584 0.117 0.000 1.170 62 A CA 2.708 54.800 52.037 0.091 0.000 0.645 62 A CB -0.403 18.642 19.000 0.076 0.000 0.816 62 A HN -0.730 7.431 8.150 0.123 0.063 0.447 63 H N -1.243 117.892 119.070 0.108 0.000 2.491 63 H HA -0.188 4.427 4.556 0.099 0.000 0.290 63 H C 2.016 177.430 175.328 0.144 0.000 1.050 63 H CA 3.577 59.708 56.048 0.138 0.000 1.309 63 H CB 0.704 30.612 29.762 0.243 0.000 1.392 63 H HN 0.959 9.294 8.280 0.309 0.131 0.554 64 G N -1.734 107.194 108.800 0.212 0.000 2.408 64 G HA2 -0.306 3.830 3.960 0.221 0.000 0.217 64 G HA3 -0.306 3.794 3.960 0.129 -0.063 0.217 64 G C 0.605 175.550 174.900 0.075 0.000 1.150 64 G CA 1.806 47.000 45.100 0.157 0.000 0.776 64 G HN -0.085 8.196 8.290 0.215 0.137 0.542 65 K N -0.969 119.454 120.400 0.038 0.000 2.211 65 K HA -0.302 4.025 4.320 0.011 0.000 0.203 65 K C 1.631 178.227 176.600 -0.007 0.000 1.050 65 K CA 2.659 58.953 56.287 0.011 0.000 0.945 65 K CB -0.292 32.210 32.500 0.004 0.000 0.732 65 K HN -0.736 7.544 8.250 0.050 0.000 0.451 66 K N -1.085 119.279 120.400 -0.061 0.000 2.031 66 K HA -0.200 4.073 4.320 -0.078 0.000 0.205 66 K C 2.350 178.925 176.600 -0.041 0.000 1.049 66 K CA 3.004 59.224 56.287 -0.113 0.000 0.939 66 K CB -0.339 31.981 32.500 -0.299 0.000 0.717 66 K HN -0.477 7.582 8.250 -0.077 0.145 0.438 67 V N 0.894 120.816 119.914 0.013 0.000 2.223 67 V HA -0.478 3.724 4.120 0.136 0.000 0.244 67 V C 1.732 177.998 176.094 0.287 0.000 1.045 67 V CA 4.579 66.982 62.300 0.172 0.000 1.000 67 V CB 0.060 32.052 31.823 0.282 0.000 0.635 67 V HN -0.509 7.663 8.190 -0.030 0.000 0.445 68 L N -2.641 118.728 121.223 0.245 0.000 2.265 68 L HA -0.261 4.340 4.340 0.435 0.000 0.215 68 L C 1.862 178.867 176.870 0.227 0.000 1.117 68 L CA 2.234 57.224 54.840 0.250 0.000 0.782 68 L CB -0.507 41.573 42.059 0.035 0.000 0.914 68 L HN -0.273 8.060 8.230 0.171 0.000 0.441 69 G N -1.385 107.495 108.800 0.134 0.000 2.404 69 G HA2 -0.356 3.672 3.960 0.114 0.000 0.214 69 G HA3 -0.356 3.730 3.960 0.039 -0.102 0.214 69 G C 0.378 175.336 174.900 0.097 0.000 1.189 69 G CA 1.700 46.857 45.100 0.096 0.000 0.789 69 G HN -0.373 7.749 8.290 0.099 0.227 0.533 70 A N 1.909 124.733 122.820 0.008 0.000 1.948 70 A HA -0.353 3.827 4.320 -0.232 0.000 0.220 70 A C 1.734 179.293 177.584 -0.041 0.000 1.177 70 A CA 2.695 54.637 52.037 -0.158 0.000 0.636 70 A CB -0.449 18.389 19.000 -0.271 0.000 0.815 70 A HN -0.034 8.121 8.150 0.008 0.000 0.449 71 F N -2.848 117.233 119.950 0.217 0.000 2.113 71 F HA -0.330 4.426 4.527 0.382 0.000 0.297 71 F C 1.741 177.760 175.800 0.365 0.000 1.103 71 F CA 3.650 61.850 58.000 0.333 0.000 1.248 71 F CB -0.237 38.974 39.000 0.351 0.000 0.999 71 F HN -0.761 7.706 8.300 0.306 0.017 0.475 72 S N -1.092 115.000 115.700 0.653 0.000 2.400 72 S HA -0.449 4.507 4.470 0.810 0.000 0.232 72 S C 2.170 176.926 174.600 0.260 0.000 1.025 72 S CA 3.187 61.786 58.200 0.664 0.000 0.993 72 S CB -0.396 63.224 63.200 0.700 0.000 0.808 72 S HN -0.537 8.126 8.310 0.589 0.000 0.478 73 D N 0.193 120.689 120.400 0.159 0.000 2.123 73 D HA -0.229 4.435 4.640 0.040 0.000 0.196 73 D C 1.476 177.812 176.300 0.061 0.000 0.992 73 D CA 2.890 56.912 54.000 0.038 0.000 0.833 73 D CB 0.049 40.787 40.800 -0.103 0.000 0.954 73 D HN -0.327 8.022 8.370 0.165 0.121 0.455 74 G N -1.264 107.607 108.800 0.117 0.000 2.484 74 G HA2 -0.275 3.776 3.960 0.152 0.000 0.215 74 G HA3 -0.275 3.811 3.960 0.210 0.000 0.215 74 G C 1.972 176.891 174.900 0.032 0.000 1.219 74 G CA 1.560 46.745 45.100 0.140 0.000 0.791 74 G HN -0.577 7.710 8.290 0.163 0.101 0.550 75 L N 0.964 122.160 121.223 -0.044 0.000 2.189 75 L HA -0.343 3.881 4.340 -0.194 0.000 0.214 75 L C 1.945 178.745 176.870 -0.116 0.000 1.097 75 L CA 2.975 57.701 54.840 -0.191 0.000 0.764 75 L CB -0.268 41.504 42.059 -0.479 0.000 0.900 75 L HN -0.660 7.572 8.230 0.003 0.000 0.436 76 A N -3.978 118.823 122.820 -0.031 0.000 2.251 76 A HA -0.065 4.246 4.320 -0.015 0.000 0.209 76 A C -0.226 177.421 177.584 0.105 0.000 1.187 76 A CA 0.906 52.953 52.037 0.017 0.000 0.823 76 A CB 0.362 19.384 19.000 0.036 0.000 0.846 76 A HN -0.473 7.528 8.150 0.002 0.150 0.486 77 H N -2.781 116.264 119.070 -0.042 0.000 3.410 77 H HA 0.160 4.696 4.556 -0.033 0.000 0.245 77 H C -1.001 174.315 175.328 -0.019 0.000 1.269 77 H CA 0.067 56.096 56.048 -0.031 0.000 1.402 77 H CB -0.574 29.170 29.762 -0.030 0.000 2.429 77 H HN 0.131 8.214 8.280 0.059 0.232 0.604 78 L N 0.339 121.459 121.223 -0.172 0.000 2.622 78 L HA -0.229 4.069 4.340 -0.070 0.000 0.233 78 L C 0.343 177.072 176.870 -0.234 0.000 1.156 78 L CA 1.022 55.774 54.840 -0.147 0.000 0.866 78 L CB -0.567 41.419 42.059 -0.120 0.000 0.980 78 L HN 0.314 8.459 8.230 -0.141 0.000 0.448 79 D N -1.537 118.568 120.400 -0.491 0.000 2.221 79 D HA -0.244 4.241 4.640 -0.259 0.000 0.204 79 D C 0.226 176.392 176.300 -0.224 0.000 0.982 79 D CA 2.321 56.068 54.000 -0.423 0.000 0.857 79 D CB 0.232 40.617 40.800 -0.693 0.000 0.934 79 D HN -0.001 7.809 8.370 -0.749 0.110 0.475 80 N N -2.847 115.757 118.700 -0.159 0.000 3.063 80 N HA 0.067 4.792 4.740 -0.026 0.000 0.242 80 N C -1.151 174.407 175.510 0.080 0.000 1.146 80 N CA 0.221 53.267 53.050 -0.008 0.000 0.974 80 N CB 1.030 39.541 38.487 0.041 0.000 1.584 80 N HN -0.793 7.417 8.380 -0.227 0.034 0.636 81 L N 5.962 127.232 121.223 0.079 0.000 2.071 81 L HA -0.086 4.461 4.340 0.345 0.000 0.201 81 L C 1.507 178.540 176.870 0.273 0.000 1.076 81 L CA 3.212 58.191 54.840 0.231 0.000 0.755 81 L CB -0.187 41.911 42.059 0.066 0.000 0.915 81 L HN 0.474 8.715 8.230 0.018 0.000 0.445 82 K N -0.937 119.524 120.400 0.102 0.000 2.293 82 K HA -0.361 4.040 4.320 0.134 0.000 0.204 82 K C 2.081 178.748 176.600 0.111 0.000 1.045 82 K CA 2.836 59.179 56.287 0.092 0.000 0.933 82 K CB -0.753 31.734 32.500 -0.021 0.000 0.736 82 K HN 0.274 8.533 8.250 0.015 0.000 0.463 83 G N -1.595 107.263 108.800 0.096 0.000 2.433 83 G HA2 -0.184 3.810 3.960 0.056 0.000 0.216 83 G HA3 -0.184 3.852 3.960 0.078 -0.029 0.216 83 G C 0.924 175.847 174.900 0.038 0.000 1.186 83 G CA 1.844 46.986 45.100 0.069 0.000 0.779 83 G HN 0.278 8.747 8.290 0.097 -0.121 0.543 84 T N 3.130 117.697 114.554 0.022 0.000 2.976 84 T HA -0.001 4.283 4.350 -0.110 0.000 0.257 84 T C 1.684 176.260 174.700 -0.206 0.000 1.051 84 T CA 2.012 64.034 62.100 -0.129 0.000 1.141 84 T CB 0.512 69.243 68.868 -0.228 0.000 0.881 84 T HN -0.591 7.700 8.240 0.085 0.000 0.461 85 F N 0.305 120.210 119.950 -0.075 0.000 2.802 85 F HA -0.106 4.333 4.527 -0.148 0.000 0.302 85 F C 0.719 176.478 175.800 -0.068 0.000 1.211 85 F CA 1.090 59.021 58.000 -0.115 0.000 1.431 85 F CB -1.226 37.681 39.000 -0.155 0.000 1.114 85 F HN 0.461 8.764 8.300 0.179 0.104 0.567 86 A N 0.107 122.976 122.820 0.082 0.000 1.969 86 A HA -0.303 4.083 4.320 0.110 0.000 0.218 86 A C 1.524 179.140 177.584 0.054 0.000 1.169 86 A CA 3.161 55.244 52.037 0.077 0.000 0.635 86 A CB -0.316 18.715 19.000 0.053 0.000 0.810 86 A HN -0.349 7.688 8.150 0.039 0.136 0.445 87 T N -1.630 112.934 114.554 0.016 0.000 2.814 87 T HA -0.148 4.224 4.350 0.037 0.000 0.254 87 T C 1.520 176.258 174.700 0.064 0.000 1.037 87 T CA 3.265 65.379 62.100 0.024 0.000 1.143 87 T CB -0.023 68.838 68.868 -0.012 0.000 0.866 87 T HN -0.718 7.494 8.240 -0.021 0.015 0.431 88 L N 1.109 122.340 121.223 0.015 0.000 2.013 88 L HA -0.462 3.991 4.340 0.189 0.000 0.212 88 L C 2.359 179.262 176.870 0.055 0.000 1.073 88 L CA 3.295 58.134 54.840 -0.001 0.000 0.753 88 L CB -0.809 41.117 42.059 -0.222 0.000 0.890 88 L HN -0.131 8.066 8.230 -0.056 0.000 0.432 89 S N -1.232 114.499 115.700 0.051 0.000 2.353 89 S HA -0.414 4.119 4.470 0.106 0.000 0.222 89 S C 2.066 176.784 174.600 0.196 0.000 1.035 89 S CA 3.881 62.156 58.200 0.125 0.000 1.025 89 S CB -0.442 62.833 63.200 0.124 0.000 0.902 89 S HN -0.088 8.262 8.310 0.066 0.000 0.440 90 E N 2.500 122.783 120.200 0.138 0.000 2.110 90 E HA -0.269 4.126 4.350 0.075 0.000 0.193 90 E C 2.296 178.966 176.600 0.117 0.000 0.988 90 E CA 2.772 59.231 56.400 0.099 0.000 0.804 90 E CB -0.125 29.614 29.700 0.065 0.000 0.745 90 E HN -0.734 7.695 8.360 0.115 0.000 0.458 91 L N -1.208 120.118 121.223 0.171 0.000 2.156 91 L HA -0.285 4.108 4.340 0.088 0.000 0.208 91 L C 2.013 178.989 176.870 0.177 0.000 1.095 91 L CA 2.857 57.794 54.840 0.161 0.000 0.770 91 L CB 0.242 42.408 42.059 0.179 0.000 0.914 91 L HN 0.763 8.897 8.230 0.183 0.206 0.439 92 H N -2.059 117.075 119.070 0.106 0.000 2.512 92 H HA 0.008 4.646 4.556 0.137 0.000 0.279 92 H C 1.854 177.316 175.328 0.224 0.000 0.999 92 H CA 3.359 59.503 56.048 0.159 0.000 1.283 92 H CB -0.355 29.500 29.762 0.156 0.000 1.421 92 H HN 0.812 9.182 8.280 0.521 0.222 0.554 93 C N -0.466 118.988 119.300 0.257 0.000 2.576 93 C HA -0.314 3.945 4.460 -0.335 0.000 0.281 93 C C 1.033 175.958 174.990 -0.108 0.000 1.292 93 C CA 3.833 62.779 59.018 -0.121 0.000 1.697 93 C CB 0.690 28.276 27.740 -0.256 0.000 2.109 93 C HN 0.344 8.497 8.230 0.252 0.229 0.497 94 D N 0.180 120.552 120.400 -0.047 0.000 2.240 94 D HA -0.053 4.533 4.640 -0.090 0.000 0.206 94 D C 1.423 177.737 176.300 0.023 0.000 0.963 94 D CA 2.642 56.617 54.000 -0.040 0.000 0.863 94 D CB -0.226 40.551 40.800 -0.038 0.000 0.973 94 D HN -0.399 7.964 8.370 -0.012 0.000 0.501 95 K N -1.736 118.691 120.400 0.044 0.000 2.021 95 K HA -0.056 4.286 4.320 0.036 0.000 0.205 95 K C 0.922 177.571 176.600 0.082 0.000 1.047 95 K CA 1.976 58.289 56.287 0.043 0.000 0.943 95 K CB 0.474 32.984 32.500 0.017 0.000 0.725 95 K HN -0.599 7.681 8.250 0.049 0.000 0.439 96 L N -6.542 114.735 121.223 0.090 0.000 2.425 96 L HA 0.113 4.573 4.340 0.200 0.000 0.215 96 L C -0.623 176.427 176.870 0.301 0.000 1.065 96 L CA 0.144 55.075 54.840 0.151 0.000 0.842 96 L CB 1.221 43.266 42.059 -0.024 0.000 1.033 96 L HN -0.543 7.728 8.230 0.068 0.000 0.474 97 H N -1.285 117.869 119.070 0.140 0.000 2.677 97 H HA -0.400 4.308 4.556 0.053 -0.121 0.321 97 H C -1.253 174.231 175.328 0.260 0.000 1.171 97 H CA -0.269 55.883 56.048 0.173 0.000 1.139 97 H CB -1.915 27.944 29.762 0.162 0.000 1.515 97 H HN -0.039 8.212 8.280 0.242 0.173 0.423 98 V N 0.154 120.145 119.914 0.129 0.000 2.508 98 V HA -0.119 3.356 4.120 -1.076 0.000 0.281 98 V C 0.047 176.129 176.094 -0.021 0.000 1.041 98 V CA -0.025 62.084 62.300 -0.318 0.000 1.016 98 V CB -0.338 31.399 31.823 -0.144 0.000 0.984 98 V HN -0.410 7.989 8.190 0.349 0.000 0.478 99 D N 7.431 127.739 120.400 -0.154 0.000 2.515 99 D HA -0.112 4.592 4.640 0.106 0.000 0.232 99 D C -0.292 175.825 176.300 -0.305 0.000 1.157 99 D CA -0.045 53.925 54.000 -0.049 0.000 0.871 99 D CB -0.046 40.775 40.800 0.034 0.000 1.200 99 D HN 0.097 8.336 8.370 -0.219 0.000 0.466 100 P HA -0.114 3.870 4.420 -0.727 0.000 0.233 100 P C -0.285 176.667 177.300 -0.581 0.000 1.167 100 P CA 1.350 64.148 63.100 -0.503 0.000 0.770 100 P CB 0.482 32.071 31.700 -0.185 0.000 0.837 101 E N -0.216 119.765 120.200 -0.366 0.000 2.232 101 E HA 0.014 4.218 4.350 -0.244 0.000 0.296 101 E C -1.002 175.417 176.600 -0.302 0.000 1.372 101 E CA 0.017 56.263 56.400 -0.257 0.000 1.527 101 E CB -1.626 28.014 29.700 -0.101 0.000 1.424 101 E HN 0.558 8.709 8.360 -0.244 0.062 0.485 102 N N -0.952 117.404 118.700 -0.573 0.000 2.271 102 N HA -0.005 4.591 4.740 -0.241 0.000 0.267 102 N C 1.068 176.419 175.510 -0.265 0.000 0.987 102 N CA 0.944 53.749 53.050 -0.407 0.000 0.824 102 N CB 1.178 39.411 38.487 -0.423 0.000 1.775 102 N HN -0.393 7.382 8.380 -0.902 0.065 0.728 103 F N 1.060 120.993 119.950 -0.028 0.000 2.091 103 F HA -0.359 4.199 4.527 0.052 0.000 0.299 103 F C 1.638 177.452 175.800 0.023 0.000 1.103 103 F CA 2.796 60.805 58.000 0.014 0.000 1.228 103 F CB -1.121 37.872 39.000 -0.011 0.000 0.984 103 F HN -0.169 7.009 8.300 -1.869 0.000 0.477 104 R N -3.014 117.551 120.500 0.108 0.000 2.276 104 R HA -0.344 4.060 4.340 0.107 0.000 0.243 104 R C 2.347 178.678 176.300 0.051 0.000 1.161 104 R CA 2.388 58.529 56.100 0.068 0.000 1.007 104 R CB -0.856 29.448 30.300 0.007 0.000 0.867 104 R HN 0.173 8.450 8.270 0.011 0.000 0.472 105 L N -1.700 119.532 121.223 0.016 0.000 2.121 105 L HA -0.069 4.296 4.340 0.041 0.000 0.200 105 L C 1.499 178.427 176.870 0.097 0.000 1.077 105 L CA 1.851 56.702 54.840 0.017 0.000 0.766 105 L CB -0.192 41.782 42.059 -0.141 0.000 0.931 105 L HN 0.136 8.152 8.230 -0.013 0.206 0.452 106 L N -0.884 120.412 121.223 0.122 0.000 2.270 106 L HA -0.377 4.043 4.340 0.134 0.000 0.217 106 L C 2.045 178.989 176.870 0.123 0.000 1.107 106 L CA 2.865 57.796 54.840 0.151 0.000 0.772 106 L CB -0.284 41.911 42.059 0.227 0.000 0.902 106 L HN -0.541 7.756 8.230 0.113 0.000 0.439 107 G N -3.127 105.752 108.800 0.130 0.000 2.453 107 G HA2 -0.208 3.794 3.960 0.071 0.000 0.215 107 G HA3 -0.208 3.830 3.960 0.131 0.000 0.215 107 G C 0.597 175.560 174.900 0.105 0.000 1.147 107 G CA 1.596 46.763 45.100 0.112 0.000 0.802 107 G HN 0.031 8.348 8.290 0.144 0.060 0.535 108 N N 1.379 120.138 118.700 0.098 0.000 2.446 108 N HA 0.018 4.801 4.740 0.071 0.000 0.179 108 N C 2.012 177.567 175.510 0.076 0.000 1.054 108 N CA 1.964 55.064 53.050 0.084 0.000 0.905 108 N CB 0.123 38.666 38.487 0.093 0.000 0.973 108 N HN -0.000 8.323 8.380 0.103 0.118 0.448 109 V N 1.442 121.410 119.914 0.089 0.000 2.300 109 V HA -0.283 3.885 4.120 0.080 0.000 0.241 109 V C 1.136 177.261 176.094 0.052 0.000 1.034 109 V CA 3.517 65.866 62.300 0.082 0.000 1.021 109 V CB 0.076 31.962 31.823 0.104 0.000 0.662 109 V HN -0.147 7.964 8.190 0.100 0.139 0.458 110 L N -0.361 120.888 121.223 0.043 0.000 1.997 110 L HA -0.492 3.863 4.340 0.024 0.000 0.216 110 L C 1.914 178.777 176.870 -0.011 0.000 1.074 110 L CA 3.302 58.153 54.840 0.017 0.000 0.763 110 L CB -0.200 41.855 42.059 -0.008 0.000 0.890 110 L HN -0.814 7.448 8.230 0.054 0.000 0.434 111 V N -2.389 117.490 119.914 -0.059 0.000 2.317 111 V HA -0.493 3.397 4.120 -0.384 0.000 0.251 111 V C 1.462 177.516 176.094 -0.067 0.000 1.065 111 V CA 4.412 66.594 62.300 -0.198 0.000 1.049 111 V CB -0.638 31.057 31.823 -0.213 0.000 0.651 111 V HN -0.504 7.679 8.190 -0.012 0.000 0.450 112 C N -1.653 117.644 119.300 -0.005 0.000 2.422 112 C HA -0.358 4.113 4.460 0.019 0.000 0.279 112 C C 1.707 176.738 174.990 0.068 0.000 1.305 112 C CA 4.508 63.542 59.018 0.028 0.000 1.757 112 C CB -0.740 27.021 27.740 0.035 0.000 1.962 112 C HN -0.396 7.729 8.230 0.004 0.106 0.499 113 V N -0.648 119.312 119.914 0.076 0.000 2.626 113 V HA -0.389 3.829 4.120 0.162 0.000 0.252 113 V C 1.297 177.502 176.094 0.185 0.000 1.067 113 V CA 4.428 66.811 62.300 0.139 0.000 1.081 113 V CB -0.380 31.505 31.823 0.104 0.000 0.686 113 V HN -0.037 8.049 8.190 0.050 0.135 0.468 114 L N -0.914 120.391 121.223 0.137 0.000 2.084 114 L HA -0.302 4.274 4.340 0.394 0.000 0.202 114 L C 1.983 178.976 176.870 0.205 0.000 1.074 114 L CA 2.773 57.753 54.840 0.233 0.000 0.757 114 L CB -1.076 41.064 42.059 0.135 0.000 0.918 114 L HN -0.783 7.352 8.230 0.066 0.135 0.444 115 A N -2.918 119.969 122.820 0.111 0.000 2.084 115 A HA -0.402 3.978 4.320 0.100 0.000 0.221 115 A C 1.059 178.635 177.584 -0.014 0.000 1.161 115 A CA 2.685 54.755 52.037 0.056 0.000 0.653 115 A CB -0.609 18.413 19.000 0.037 0.000 0.802 115 A HN 0.060 8.249 8.150 0.066 0.000 0.457 116 H N -1.575 117.422 119.070 -0.121 0.000 2.287 116 H HA -0.181 4.224 4.556 -0.252 0.000 0.309 116 H C 3.108 178.219 175.328 -0.362 0.000 1.059 116 H CA 2.639 58.534 56.048 -0.254 0.000 1.357 116 H CB 0.291 29.877 29.762 -0.294 0.000 1.409 116 H HN -0.612 7.699 8.280 0.121 0.041 0.515 117 H N -1.937 117.006 119.070 -0.211 0.000 2.521 117 H HA -0.170 4.037 4.556 -0.582 0.000 0.286 117 H C 0.710 175.433 175.328 -1.008 0.000 1.034 117 H CA 2.918 58.561 56.048 -0.676 0.000 1.278 117 H CB 0.664 29.927 29.762 -0.832 0.000 1.386 117 H HN -0.523 7.698 8.280 -0.098 0.000 0.567 118 F N -2.818 117.197 119.950 0.109 0.000 2.566 118 F HA 0.280 4.845 4.527 0.064 0.000 0.352 118 F C -0.139 175.682 175.800 0.034 0.000 1.534 118 F CA -1.202 56.842 58.000 0.073 0.000 1.097 118 F CB -0.645 38.408 39.000 0.089 0.000 1.488 118 F HN 0.389 8.561 8.300 0.032 0.148 0.562 119 G N 0.753 109.579 108.800 0.043 0.000 2.484 119 G HA2 -0.210 3.646 3.960 -0.195 0.000 0.218 119 G HA3 -0.210 3.547 3.960 -0.336 0.002 0.218 119 G C 0.669 175.526 174.900 -0.072 0.000 1.130 119 G CA 0.960 45.953 45.100 -0.178 0.000 0.784 119 G HN -0.268 8.015 8.290 -0.012 0.000 0.543 120 K N -0.515 119.929 120.400 0.073 0.000 2.611 120 K HA -0.092 4.302 4.320 0.123 0.000 0.193 120 K C -0.338 176.397 176.600 0.225 0.000 1.026 120 K CA 1.682 58.053 56.287 0.139 0.000 1.063 120 K CB -0.799 31.772 32.500 0.119 0.000 0.839 120 K HN -0.001 8.269 8.250 0.091 0.034 0.505 121 E N -2.728 117.646 120.200 0.290 0.000 2.702 121 E HA 0.144 4.616 4.350 0.204 0.000 0.225 121 E C 0.327 177.118 176.600 0.319 0.000 0.942 121 E CA -0.525 56.028 56.400 0.254 0.000 1.210 121 E CB 0.870 30.680 29.700 0.185 0.000 1.143 121 E HN -0.486 7.913 8.360 0.289 0.134 0.544 122 F N 2.109 122.096 119.950 0.062 0.000 2.712 122 F HA 0.045 4.646 4.527 0.025 -0.059 0.297 122 F C -0.807 175.009 175.800 0.026 0.000 1.278 122 F CA -2.309 55.710 58.000 0.033 0.000 1.441 122 F CB -2.331 36.680 39.000 0.018 0.000 1.063 122 F HN -0.571 8.026 8.300 0.697 0.121 0.511 123 T N 1.069 115.565 114.554 -0.097 0.000 2.939 123 T HA -0.053 4.055 4.350 -0.403 0.000 0.319 123 T C -0.327 174.185 174.700 -0.313 0.000 1.082 123 T CA -1.140 60.802 62.100 -0.263 0.000 1.133 123 T CB 0.323 69.152 68.868 -0.064 0.000 1.019 123 T HN -0.350 7.806 8.240 0.116 0.154 0.548 124 P HA -0.087 4.175 4.420 -0.263 0.000 0.215 124 P C -0.463 176.771 177.300 -0.111 0.000 1.163 124 P CA 3.812 66.781 63.100 -0.219 0.000 0.894 124 P CB -2.054 29.549 31.700 -0.162 0.000 0.791 125 P HA -0.074 4.332 4.420 -0.024 0.000 0.222 125 P C 1.324 178.621 177.300 -0.004 0.000 1.147 125 P CA 2.394 65.475 63.100 -0.030 0.000 0.790 125 P CB -0.624 31.062 31.700 -0.023 0.000 0.780 126 V N -2.380 117.531 119.914 -0.005 0.000 2.788 126 V HA -0.180 3.981 4.120 0.070 0.000 0.251 126 V C 0.689 176.840 176.094 0.095 0.000 1.068 126 V CA 1.746 64.079 62.300 0.055 0.000 1.090 126 V CB -0.224 31.637 31.823 0.062 0.000 0.710 126 V HN -0.660 7.346 8.190 -0.043 0.159 0.467 127 Q N -1.580 118.238 119.800 0.030 0.000 2.036 127 Q HA -0.089 4.297 4.340 0.076 0.000 0.195 127 Q C 2.128 178.182 176.000 0.091 0.000 0.971 127 Q CA 1.922 57.754 55.803 0.050 0.000 0.826 127 Q CB 0.250 28.972 28.738 -0.026 0.000 0.896 127 Q HN -0.676 7.442 8.270 -0.031 0.134 0.449 128 A N -0.940 121.902 122.820 0.037 0.000 1.958 128 A HA -0.307 4.036 4.320 0.040 0.000 0.221 128 A C 0.811 178.424 177.584 0.049 0.000 1.178 128 A CA 2.740 54.799 52.037 0.036 0.000 0.642 128 A CB -0.558 18.448 19.000 0.011 0.000 0.816 128 A HN -0.376 7.775 8.150 0.001 0.000 0.453 129 A N -5.092 117.761 122.820 0.054 0.000 2.412 129 A HA -0.069 4.244 4.320 -0.012 0.000 0.253 129 A C -0.979 176.637 177.584 0.054 0.000 1.334 129 A CA 0.189 52.241 52.037 0.024 0.000 0.929 129 A CB -1.056 17.948 19.000 0.008 0.000 0.983 129 A HN -0.634 7.535 8.150 0.054 0.014 0.508 130 Y N -2.217 118.072 120.300 -0.019 0.000 2.452 130 Y HA 0.090 4.637 4.550 -0.005 0.000 0.262 130 Y C 0.467 176.365 175.900 -0.004 0.000 1.089 130 Y CA 1.621 59.721 58.100 0.000 0.000 1.262 130 Y CB 2.630 41.109 38.460 0.032 0.000 1.236 130 Y HN 0.185 8.378 8.280 0.173 0.190 0.512 131 Q N 0.028 119.924 119.800 0.160 0.000 2.013 131 Q HA -0.236 4.198 4.340 0.157 0.000 0.195 131 Q C 1.702 177.701 176.000 -0.001 0.000 0.974 131 Q CA 3.277 59.142 55.803 0.103 0.000 0.826 131 Q CB 0.253 29.045 28.738 0.090 0.000 0.895 131 Q HN -0.440 7.917 8.270 0.146 0.000 0.448 132 K N -0.865 119.511 120.400 -0.040 0.000 2.293 132 K HA -0.348 3.927 4.320 -0.075 0.000 0.204 132 K C 1.994 178.478 176.600 -0.192 0.000 1.045 132 K CA 3.015 59.230 56.287 -0.121 0.000 0.933 132 K CB -0.943 31.448 32.500 -0.183 0.000 0.736 132 K HN -0.163 8.078 8.250 -0.015 0.000 0.463 133 V N -1.119 118.686 119.914 -0.182 0.000 2.231 133 V HA -0.207 3.772 4.120 -0.234 0.000 0.240 133 V C 2.167 178.180 176.094 -0.134 0.000 1.039 133 V CA 2.853 65.027 62.300 -0.210 0.000 0.998 133 V CB -0.677 30.977 31.823 -0.283 0.000 0.639 133 V HN -0.444 7.603 8.190 -0.147 0.054 0.451 134 V N -2.069 117.781 119.914 -0.105 0.000 2.970 134 V HA -0.297 3.915 4.120 0.153 0.000 0.260 134 V C 1.656 177.776 176.094 0.045 0.000 1.100 134 V CA 2.485 64.818 62.300 0.056 0.000 1.122 134 V CB -1.846 30.002 31.823 0.041 0.000 0.721 134 V HN -0.836 7.245 8.190 -0.183 0.000 0.483 135 A N 0.107 122.925 122.820 -0.003 0.000 2.032 135 A HA -0.307 4.036 4.320 0.038 0.000 0.221 135 A C 1.942 179.497 177.584 -0.049 0.000 1.165 135 A CA 3.333 55.370 52.037 -0.000 0.000 0.645 135 A CB -0.918 18.077 19.000 -0.007 0.000 0.807 135 A HN 0.732 8.729 8.150 -0.029 0.136 0.453 136 G N -2.833 105.909 108.800 -0.097 0.000 2.408 136 G HA2 -0.251 3.635 3.960 -0.124 0.000 0.217 136 G HA3 -0.251 3.610 3.960 -0.165 0.000 0.217 136 G C 1.019 175.742 174.900 -0.294 0.000 1.150 136 G CA 1.866 46.870 45.100 -0.160 0.000 0.776 136 G HN -0.522 7.681 8.290 -0.093 0.031 0.542 137 V N 3.800 123.505 119.914 -0.348 0.000 2.295 137 V HA -0.518 2.897 4.120 -1.175 0.000 0.246 137 V C 1.430 177.235 176.094 -0.483 0.000 1.049 137 V CA 3.845 65.739 62.300 -0.677 0.000 1.024 137 V CB -0.567 30.930 31.823 -0.543 0.000 0.648 137 V HN -0.235 7.718 8.190 -0.193 0.120 0.447 138 A N -1.051 121.653 122.820 -0.193 0.000 1.927 138 A HA -0.453 3.806 4.320 -0.102 0.000 0.220 138 A C 1.413 178.955 177.584 -0.069 0.000 1.185 138 A CA 3.431 55.451 52.037 -0.029 0.000 0.639 138 A CB -0.727 18.372 19.000 0.166 0.000 0.820 138 A HN -0.474 7.629 8.150 -0.078 0.000 0.451 139 N N -2.336 116.298 118.700 -0.109 0.000 2.290 139 N HA -0.116 4.599 4.740 -0.042 0.000 0.179 139 N C 2.435 177.850 175.510 -0.158 0.000 1.016 139 N CA 1.676 54.672 53.050 -0.091 0.000 0.871 139 N CB 0.547 38.997 38.487 -0.062 0.000 0.987 139 N HN -0.868 7.436 8.380 -0.120 0.004 0.431 140 A N 1.517 124.169 122.820 -0.280 0.000 1.892 140 A HA -0.309 3.922 4.320 -0.149 0.000 0.218 140 A C 1.977 179.433 177.584 -0.214 0.000 1.188 140 A CA 3.093 54.960 52.037 -0.284 0.000 0.631 140 A CB -0.340 18.287 19.000 -0.622 0.000 0.822 140 A HN 0.558 8.321 8.150 -0.337 0.185 0.447 141 L N -5.100 115.882 121.223 -0.401 0.000 2.675 141 L HA -0.093 4.146 4.340 -0.168 0.000 0.239 141 L C -0.663 176.060 176.870 -0.244 0.000 1.151 141 L CA 0.654 55.272 54.840 -0.370 0.000 0.905 141 L CB -1.148 40.405 42.059 -0.844 0.000 1.057 141 L HN -0.038 7.854 8.230 -0.564 0.000 0.435 142 A N -4.110 118.601 122.820 -0.181 0.000 2.600 142 A HA 0.125 4.089 4.320 -0.595 0.000 0.252 142 A C 0.143 177.669 177.584 -0.096 0.000 1.200 142 A CA 0.079 51.955 52.037 -0.268 0.000 0.981 142 A CB 1.259 20.111 19.000 -0.247 0.000 1.207 142 A HN 0.216 8.013 8.150 -0.153 0.262 0.577 143 H N 1.044 120.065 119.070 -0.081 0.000 2.462 143 H HA -0.176 4.329 4.556 -0.084 0.000 0.292 143 H C 1.154 176.505 175.328 0.039 0.000 1.049 143 H CA 2.760 58.782 56.048 -0.043 0.000 1.334 143 H CB 0.156 29.902 29.762 -0.028 0.000 1.404 143 H HN -0.047 8.166 8.280 0.087 0.120 0.544 144 K N -2.446 117.983 120.400 0.048 0.000 2.361 144 K HA -0.149 4.093 4.320 -0.128 0.000 0.196 144 K C 0.258 176.910 176.600 0.086 0.000 1.039 144 K CA 1.416 57.712 56.287 0.015 0.000 1.001 144 K CB -0.515 32.041 32.500 0.093 0.000 0.795 144 K HN -0.020 8.314 8.250 0.182 0.025 0.495 145 Y N -2.796 117.462 120.300 -0.070 0.000 2.070 145 Y HA -0.204 4.400 4.550 0.089 0.000 0.279 145 Y C 1.494 177.493 175.900 0.164 0.000 1.134 145 Y CA 2.612 60.737 58.100 0.042 0.000 1.113 145 Y CB -0.100 38.371 38.460 0.017 0.000 0.981 145 Y HN -0.380 7.999 8.280 0.438 0.163 0.487 146 H N 0.000 119.174 119.070 0.173 0.000 2.539 146 H HA 0.000 4.602 4.556 0.076 0.000 0.296 146 H CA 0.000 56.089 56.048 0.069 0.000 1.023 146 H CB 0.000 29.802 29.762 0.068 0.000 1.292 146 H HN 0.000 8.169 8.280 -0.186 0.000 0.496