NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.0827 8.2549 120.8383 55.1130 31.0670 175.2653 2 P 4.1355 0.0000 0.0000 61.7829 32.1224 175.9816 3 D 4.4062 8.5432 121.4263 57.4102 41.4948 178.8358 4 F 4.4004 8.0344 114.4709 59.8137 37.5597 177.9672 5 C 4.5164 7.5504 116.7778 59.4454 40.0034 174.8402 6 L 4.4267 7.7940 117.8404 53.9832 41.9750 176.7197 7 E 4.3244 7.4841 119.5317 54.8882 30.2605 175.0711 8 P 4.3757 0.0000 0.0000 61.6564 32.0890 174.5621 9 P 3.8481 0.0000 0.0000 62.7351 31.8167 175.0763 10 Y 4.6612 7.8423 119.8459 56.1174 41.0529 176.3644 11 T 4.1194 8.3319 124.6976 65.3068 68.8824 175.8726 12 G 3.7566 6.7757 106.3409 43.9817 0.0000 170.8677 13 P 4.4528 0.0000 0.0000 63.1640 31.6762 176.8563 14 C 4.5214 7.7089 117.3392 56.9251 40.9922 173.7278 15 K 4.2495 8.2127 117.9044 56.2600 32.1972 176.5556 16 A 4.2450 7.9086 123.0231 51.5530 20.1659 177.6515 17 R 4.3612 8.0755 116.5109 54.3715 30.2372 173.8885 18 I 4.3318 8.4982 122.2813 59.5668 39.5837 175.0787 19 I 4.2564 8.2893 128.2941 61.0590 37.7756 175.3732 20 R 4.8378 8.3379 125.0224 54.5524 34.6682 173.7442 21 Y 5.5809 9.3642 117.6553 56.6149 41.1511 175.3077 22 F 5.6698 9.4641 116.5347 55.5839 42.2314 172.6218 23 Y 4.5091 8.9793 121.4948 56.8048 39.7268 174.2834 24 N 4.5244 7.9610 126.4365 51.8169 39.0745 175.2790 25 A 3.6498 8.3680 130.4494 54.8166 19.0193 178.7081 26 K 3.9907 8.1192 115.8581 59.6327 32.4104 178.0504 27 A 3.9342 7.8400 120.1346 53.2041 18.3855 178.6560 28 G 3.8828 8.4753 103.0630 45.5801 0.0000 172.4982 29 L 4.9561 6.9296 118.1008 52.8809 46.7367 175.7811 30 C 5.0735 8.6805 117.2623 56.6237 41.7525 173.2389 31 Q 4.8744 8.5882 121.0746 54.2964 33.0876 174.4261 32 T 4.9757 8.4400 110.4830 61.1743 70.8452 173.7478 33 F 5.0450 8.8302 116.4959 55.8147 41.9699 172.9828 34 V 4.3773 8.4093 119.9064 61.9207 32.4649 174.1783 35 Y 4.8219 9.0177 130.0125 55.9743 40.5387 176.4689 36 G 3.7048 8.0482 113.0800 46.2740 0.0000 175.1075 37 G 3.8623 6.6837 107.0922 45.1832 0.0000 172.0504 38 C 4.9209 6.8984 112.0624 54.8012 44.5433 173.0406 39 R 3.8758 8.8296 115.7513 57.0677 27.0741 176.9123 40 A 4.2886 8.3695 119.1067 52.4480 18.9570 178.3945 41 K 4.3379 8.2248 120.2962 54.8920 33.7974 177.5320 42 R 3.5055 8.1958 118.8264 59.0717 30.3226 178.5932 43 G 3.9335 7.5700 107.8470 43.9278 0.0000 173.3782 44 N 5.0075 6.7128 114.9007 52.2745 41.4536 173.0467 45 F 5.0877 9.1784 124.7113 55.6490 41.8273 176.9762 46 K 4.3794 8.8552 122.2165 58.1152 32.7290 177.5035 47 S 4.4135 7.6825 112.7125 55.6588 67.1328 174.6664 48 A 3.3880 7.3732 124.1939 54.9039 17.9988 179.9817 49 E 3.7593 7.7451 116.6686 59.6701 29.7499 179.0824 50 D 4.2705 8.0339 118.8488 57.3391 40.8156 178.0329 51 C 2.4500 7.6960 118.6936 59.5159 44.3714 175.6609 52 M 3.8380 8.2567 120.4529 58.3611 31.2432 179.0623 53 R 3.8271 7.8484 117.6561 58.9763 30.2268 178.7444 54 T 4.1255 7.2950 114.1495 65.8921 69.0331 175.7654 55 C 4.3763 7.8876 115.8054 56.9249 41.2753 174.1836 56 G 3.5124 7.6220 114.1923 45.5786 0.0000 173.3740 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 1 R 8.25 4.08 0.00 1.60 1.80 0.00 3.13 0.00 0.00 3.12 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.35 0.00 2 P 0.00 4.14 0.00 1.15 1.79 0.00 3.27 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 2.01 0.00 3 D 8.54 4.41 0.00 2.71 2.75 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 4 F 8.03 4.40 0.00 3.26 3.36 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 C 7.55 4.52 0.00 2.94 3.14 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 6 L 7.79 4.43 0.00 1.77 1.76 1.04 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.48 4.32 0.00 2.16 1.91 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 2.38 2.31 0.00 8 P 0.00 4.38 0.00 2.09 2.00 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 9 P 0.00 3.85 0.00 0.49 0.49 0.00 3.26 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.44 0.00 10 Y 7.84 4.66 0.00 2.94 2.88 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 11 T 8.33 4.12 4.10 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 1.18 0.00 0.00 12 G 6.78 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.45 0.00 2.17 2.17 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.03 0.00 14 C 7.71 4.52 0.00 2.85 2.95 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 K 8.21 4.25 0.00 1.67 1.76 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.35 7.81 16 A 7.91 4.24 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.08 4.36 0.00 1.60 1.78 0.00 3.16 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 18 I 8.50 4.33 2.02 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.88 0.97 0.00 0.00 19 I 8.29 4.26 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.69 0.69 0.00 0.00 20 R 8.34 4.84 0.00 0.83 1.90 0.00 3.42 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.54 0.00 21 Y 9.36 5.58 0.00 3.20 3.06 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 22 F 9.46 5.67 0.00 3.10 3.05 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 0.00 0.00 0.00 0.00 23 Y 8.98 4.51 0.00 2.95 3.22 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 24 N 7.96 4.52 0.00 2.35 2.47 0.00 0.00 6.64 7.87 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 25 A 8.37 3.65 1.35 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 26 K 8.12 3.99 0.00 1.71 1.97 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.43 7.81 27 A 7.84 3.93 1.20 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 28 G 8.48 3.88 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 29 L 6.93 4.96 0.00 1.46 1.48 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.68 5.07 0.00 2.87 3.14 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 8.59 4.87 0.00 1.61 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 2.21 2.07 0.00 32 T 8.44 4.98 4.03 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 0.76 0.00 0.00 33 F 8.83 5.04 0.00 2.99 3.09 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 V 8.41 4.38 2.07 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 0.71 0.00 0.00 0.90 0.00 0.00 35 Y 9.02 4.82 0.00 2.52 2.70 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 G 8.05 3.70 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 37 G 6.68 3.86 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 38 C 6.90 4.92 0.00 3.06 2.99 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 R 8.83 3.88 0.00 2.25 2.28 0.00 3.44 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 40 A 8.37 4.29 1.05 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 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.22 4.34 0.00 1.69 1.65 0.00 1.54 0.00 0.00 1.30 0.00 0.00 2.13 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.36 1.27 7.81 42 R 8.20 3.51 0.00 0.80 0.66 0.00 2.42 0.00 0.00 2.60 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.30 0.00 43 G 7.57 3.93 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 44 N 6.71 5.01 0.00 2.58 2.57 0.00 0.00 7.11 7.02 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 45 F 9.18 5.09 0.00 3.32 3.00 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 46 K 8.86 4.38 0.00 1.84 1.95 0.00 1.79 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.49 7.81 47 S 7.68 4.41 0.00 4.00 3.87 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 48 A 7.37 3.39 0.97 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 49 E 7.75 3.76 0.00 1.98 1.93 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 2.34 2.37 0.00 50 D 8.03 4.27 0.00 2.77 2.87 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 51 C 7.70 2.45 0.00 2.89 3.04 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 0.00 0.00 0.00 0.00 52 M 8.26 3.84 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.76 0.00 53 R 7.85 3.83 0.00 1.73 1.93 0.00 3.17 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 54 T 7.30 4.13 4.03 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 1.47 0.00 0.00 55 C 7.89 4.38 0.00 2.62 2.21 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 56 G 7.62 3.51 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