NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4663 8.2993 120.0195 56.3651 34.8102 176.3854 3 P 4.6958 0.0000 0.0000 62.4895 29.9885 174.7463 4 S 4.6338 8.7025 110.3141 58.0623 63.2309 176.6082 5 E 3.9342 8.1602 121.2366 58.3043 29.5525 176.3358 6 M 4.4464 7.6978 117.4751 55.8292 32.3839 176.6180 7 R 4.2281 7.3049 118.0331 57.1444 30.9999 176.0477 8 N 4.8494 7.4695 115.2144 51.8580 38.8982 175.7774 9 L 4.1496 7.4596 119.0842 54.6432 43.1447 172.7326 10 Q 4.4865 8.0290 123.5336 54.8852 29.7160 174.8972 11 A 4.4343 8.9120 124.9341 51.4031 21.2145 176.1780 12 T 3.5494 8.1636 106.6484 64.3179 67.2264 170.7295 13 D 4.7917 7.7196 123.9321 56.3709 43.9992 178.3614 14 F 4.1798 8.2369 119.1138 59.3501 39.8092 176.2870 15 A 4.1338 8.2943 122.6006 55.2196 18.2611 177.9998 16 K 4.4482 7.6057 112.6635 56.0260 32.9082 177.2867 17 E 3.7645 8.1619 120.7711 58.8396 28.4473 179.0896 18 I 3.6751 7.4687 119.5487 64.1274 37.3256 177.2761 19 D 4.5019 7.7487 118.3962 56.1276 42.3275 177.3827 20 A 4.5848 6.9044 122.1989 51.5651 17.8349 179.4388 21 R 3.9614 9.0494 120.9935 61.6236 30.1315 176.0783 22 K 4.4777 7.0678 117.4894 54.3656 30.4688 174.6198 23 K 4.7052 7.6521 119.3214 57.1708 38.2772 176.4973 24 E 4.6058 7.9697 117.0142 56.0846 30.7669 175.9733 25 L 4.3145 7.9514 119.9171 55.3328 42.8884 176.9956 26 M 4.2025 7.6467 116.7859 57.2867 32.6325 176.2140 27 E 4.3187 7.0246 116.6682 55.6526 29.9596 176.7556 28 L 3.8680 6.8988 114.5451 55.2544 46.8667 175.9272 29 R 4.2456 7.0058 117.4186 56.2604 30.4603 175.9030 30 F 4.5947 6.9643 109.7815 57.0281 38.6118 174.4081 31 Q 4.1178 8.5664 119.8986 55.9564 29.1058 173.7990 32 A 3.5925 8.9808 130.0962 52.2959 18.4412 176.8132 33 A 4.0406 8.5479 120.0723 53.0721 15.7747 177.8572 34 A 4.7835 7.1507 118.8338 52.4568 20.7882 178.7690 35 G 4.7269 7.1446 114.2374 45.5855 0.0000 172.5733 36 Q 4.2658 8.6613 123.8960 57.0155 29.9520 177.1847 37 L 4.7317 7.6850 113.8623 53.6570 44.7403 176.6680 38 A 4.2254 8.2590 124.6787 52.8518 17.6122 179.4106 39 Q 4.5882 8.9230 121.4263 55.0519 29.6546 172.9348 40 P 4.2934 0.0000 0.0000 65.8614 32.0579 176.6220 41 H 4.3010 7.5846 117.9997 56.1105 28.9130 175.0848 42 R 5.5337 7.3501 135.0000 56.6730 33.2052 173.1814 43 V 4.3715 7.3051 117.3911 63.8069 32.5313 176.0633 44 R 4.3813 9.0205 116.6626 55.9746 30.2431 175.0668 45 Q 4.5169 7.5456 113.0106 55.0923 31.3718 174.2037 46 L 5.0676 7.0265 116.5516 54.7486 44.5681 174.2148 47 R 4.6235 7.7799 113.2902 56.3212 33.8728 176.0447 48 R 4.5895 7.8852 118.2243 55.8401 30.2430 177.3446 49 E 4.2240 8.1542 116.3242 58.6239 29.9836 177.6960 50 V 4.5382 6.7983 114.9661 59.9631 32.6858 172.5086 51 A 4.2621 8.1044 122.0112 52.1849 21.8574 177.5323 52 Q 3.7288 9.1334 118.1537 56.7482 27.6534 173.8251 53 L 4.7322 7.7854 115.3757 54.6785 43.1113 176.3437 54 N 4.9347 8.1265 115.2611 53.0407 39.2190 174.1722 55 T 4.4888 7.6772 107.5817 60.1878 71.3658 173.6396 56 V 3.4037 8.2650 112.2139 61.7413 29.0771 174.3024 57 K 4.5381 7.8099 114.5082 57.0109 36.1810 176.0491 58 A 4.6211 7.2670 120.5948 52.0257 19.1751 175.3758 59 E 4.8989 7.6760 115.8718 57.1555 31.3456 175.3840 60 L 4.2715 7.4683 125.6908 55.5740 46.1323 175.2858 61 A 4.3428 8.1085 117.4854 53.0735 18.3381 178.1970 62 R 3.9729 7.8382 114.9064 57.6480 30.2494 176.6337 63 K 4.0869 7.6791 117.5236 56.9324 32.8294 176.6207 64 G 3.8230 8.8579 113.9058 45.0298 0.0000 173.8974 65 E 4.7343 9.1498 115.0249 54.8459 34.2165 174.9472 66 Q 4.2399 8.5572 118.8946 56.3393 28.8023 175.3645 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 K 8.30 4.47 0.00 1.91 1.93 0.00 1.57 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.40 7.81 3 P 0.00 4.70 0.00 2.29 1.77 0.00 3.80 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 4 S 8.70 4.63 0.00 3.86 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.16 3.93 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 6 M 7.70 4.45 0.00 1.85 1.84 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.39 0.00 7 R 7.30 4.23 0.00 1.98 1.91 0.00 3.26 0.00 0.00 3.14 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 8 N 7.47 4.85 0.00 2.64 2.67 0.00 0.00 6.79 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 7.46 4.15 0.00 1.58 1.52 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 8.03 4.49 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.30 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 11 A 8.91 4.43 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.16 3.55 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 13 D 7.72 4.79 0.00 2.79 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.24 4.18 0.00 3.06 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.29 4.13 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.61 4.45 0.00 1.79 1.67 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.27 1.29 7.81 17 E 8.16 3.76 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.68 0.00 18 I 7.47 3.68 1.83 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.63 0.90 0.00 0.00 19 D 7.75 4.50 0.00 2.59 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 6.90 4.58 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 9.05 3.96 0.00 1.81 1.98 0.00 3.26 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.56 0.00 22 K 7.07 4.48 0.00 1.64 1.96 0.00 1.66 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.39 7.81 23 K 7.65 4.71 0.00 1.94 1.75 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.61 7.81 24 E 7.97 4.61 0.00 2.09 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 25 L 7.95 4.31 0.00 1.85 1.56 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 26 M 7.65 4.20 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 27 E 7.02 4.32 0.00 1.83 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.34 0.00 28 L 6.90 3.87 0.00 1.52 1.52 0.86 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.01 4.25 0.00 1.96 2.02 0.00 3.25 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 30 F 6.96 4.59 0.00 3.03 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.57 4.12 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.09 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 32 A 8.98 3.59 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.55 4.04 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.15 4.78 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.14 4.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.66 4.27 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 37 L 7.68 4.73 0.00 1.62 1.70 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.26 4.23 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 8.92 4.59 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.63 0.00 0.00 0.00 0.00 0.00 2.49 2.38 0.00 40 P 0.00 4.29 0.00 2.08 2.20 0.00 3.79 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 41 H 7.58 4.30 0.00 3.20 3.28 0.00 5.87 0.00 0.00 0.00 0.00 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.35 5.53 0.00 1.87 1.87 0.00 3.49 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.37 0.00 43 V 7.31 4.37 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.96 0.00 0.00 44 R 9.02 4.38 0.00 1.80 1.87 0.00 3.24 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 45 Q 7.55 4.52 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.39 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 46 L 7.03 5.07 0.00 1.64 1.55 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.78 4.62 0.00 1.79 1.87 0.00 3.37 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.55 0.00 48 R 7.89 4.59 0.00 1.87 1.85 0.00 3.23 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 49 E 8.15 4.22 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 50 V 6.80 4.54 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.12 0.00 0.00 51 A 8.10 4.26 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 9.13 3.73 0.00 2.34 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.96 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 53 L 7.79 4.73 0.00 1.58 1.57 1.02 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.13 4.93 0.00 2.66 2.77 0.00 0.00 6.91 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 7.68 4.49 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56 V 8.27 3.40 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.89 0.00 0.00 57 K 7.81 4.54 0.00 1.66 1.80 0.00 1.63 0.00 0.00 1.63 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.47 7.81 58 A 7.27 4.62 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 7.68 4.90 0.00 1.86 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 60 L 7.47 4.27 0.00 1.56 1.59 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.11 4.34 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.84 3.97 0.00 1.80 1.99 0.00 3.21 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 63 K 7.68 4.09 0.00 1.69 1.81 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.57 7.81 64 G 8.86 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 9.15 4.73 0.00 1.91 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 66 Q 8.56 4.24 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.65 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00