NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 R 4.3344 8.3545 119.0729 55.9721 31.1049 175.1301 -1 K 4.6635 7.9776 123.2846 51.7391 37.3306 174.8199 0 L 3.7166 8.9881 120.6364 56.8216 41.9754 179.7370 1 C 4.5105 9.0870 128.1450 60.4454 39.8798 175.2784 2 S 3.8801 8.2244 115.0883 59.6081 62.8397 173.8655 3 L 4.2723 7.9268 123.2447 53.7244 41.6337 175.6185 4 D 4.3090 9.3487 129.2368 55.6207 39.8442 173.1199 5 N 4.3407 8.3102 109.3467 53.3521 37.7137 174.3365 6 G 3.7974 8.8111 101.3888 45.6344 0.0000 174.5305 7 D 4.4799 8.2584 115.7751 54.5663 40.3151 173.1455 8 C 4.7440 7.8810 114.5055 56.2324 41.1239 173.7688 9 D 4.5094 8.8144 124.0523 56.9955 42.1571 177.3211 10 Q 4.3912 7.6212 111.6907 55.8076 30.6500 179.2073 11 F 4.6775 6.2966 127.3771 58.4993 40.3031 172.9792 12 C 5.4075 8.8480 122.7084 55.1661 42.8174 172.5705 13 H 5.1264 9.4635 122.4692 54.0386 32.9162 172.1693 14 E 5.1137 8.8160 120.1768 54.8688 31.1306 175.3628 15 E 4.5273 8.9335 124.7744 55.4329 31.8741 176.4275 16 Q 3.5647 9.4328 124.0018 57.2025 26.2321 172.9402 17 N 4.2461 8.4253 109.2111 54.4972 37.7347 173.0707 18 S 4.6622 7.6924 108.6418 55.6815 65.8365 172.6695 19 V 4.2324 8.2806 125.8993 62.7899 32.3236 175.2442 20 V 4.4271 9.1035 127.5755 61.4303 34.0346 173.7724 21 C 5.4101 8.9119 125.4230 56.3798 36.5228 172.7068 22 S 4.7479 8.9182 115.3581 57.8308 66.7457 171.6807 23 C 4.9623 8.5431 115.6673 54.6624 38.6244 174.1881 24 A 4.5197 8.8557 123.8227 51.5435 18.7224 177.3228 25 R 4.1501 8.4107 120.0243 58.0768 30.7137 177.0125 26 G 3.9525 9.3303 112.3518 45.1885 0.0000 171.9134 27 Y 5.2583 7.6656 115.9951 56.1408 41.3450 175.0923 28 T 4.7100 8.9524 112.8268 59.5782 71.7643 173.3844 29 L 4.5711 8.4984 126.2932 55.0049 42.8531 176.4796 30 A 4.2791 9.3107 128.5159 51.5614 19.4381 177.9868 31 D 4.3064 8.8400 119.0164 57.6569 40.8524 178.2473 32 N 4.3729 8.1404 113.8740 53.4050 37.3567 175.6303 33 G 3.9784 8.3862 107.3533 46.1373 0.0000 174.0184 34 K 4.4823 8.6597 118.5736 57.4630 35.4910 176.7566 35 A 4.8593 8.2346 120.4010 51.6851 20.3914 176.8338 36 C 5.3104 9.2128 117.4446 55.2493 39.0613 173.6880 37 I 4.6369 8.8535 125.3971 58.6779 39.0313 173.6566 38 P 4.2894 0.0000 0.0000 63.1126 31.3330 176.5913 39 T 4.1836 8.4286 113.4333 62.9995 69.8236 174.2124 40 G 4.0140 7.3171 109.2947 43.9048 0.0000 170.3990 41 P 4.1464 0.0000 0.0000 62.9398 32.3659 175.0358 42 Y 3.6538 7.4846 113.7292 58.5594 35.1767 168.9555 43 P 4.3530 0.0000 0.0000 62.1357 32.5877 175.8876 44 C 4.3349 8.3324 114.6274 59.7185 30.0036 174.1479 45 G 3.9558 8.9429 109.3123 45.6976 0.0000 172.9801 46 K 4.5867 7.3476 118.6543 54.0298 33.7241 176.5584 47 Q 4.1709 8.6827 123.1098 56.6330 29.4987 177.3966 48 T 4.4279 8.1991 112.7621 60.2152 67.6637 174.8010 49 L 4.3013 7.6961 127.5119 55.6038 41.9198 176.7415 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 R 8.35 4.33 0.00 1.85 1.81 0.00 3.18 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 1.45 1.20 0.00 -1 K 7.98 4.66 0.00 1.68 1.62 0.00 1.90 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.09 7.81 0 L 8.99 3.72 0.00 1.97 0.78 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 1 C 9.09 4.51 0.00 3.14 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.22 3.88 0.00 4.09 3.91 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 0.00 0.00 0.00 3 L 7.93 4.27 0.00 1.72 1.73 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 4 D 9.35 4.31 0.00 2.88 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.31 4.34 0.00 2.98 2.79 0.00 0.00 7.58 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.81 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.26 4.48 0.00 2.81 2.78 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 0.00 0.00 0.00 0.00 8 C 7.88 4.74 0.00 3.07 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.81 4.51 0.00 2.64 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 7.62 4.39 0.00 1.45 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.93 0.00 0.00 0.00 0.00 0.00 1.84 1.95 0.00 11 F 6.30 4.68 0.00 3.12 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.85 5.41 0.00 3.13 2.91 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 0.00 0.00 0.00 13 H 9.46 5.13 0.00 3.07 3.13 0.00 5.64 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.82 5.11 0.00 1.84 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 15 E 8.93 4.53 0.00 1.99 1.83 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 2.20 2.24 0.00 16 Q 9.43 3.56 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.87 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 17 N 8.43 4.25 0.00 2.84 2.88 0.00 0.00 6.92 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.69 4.66 0.00 3.78 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.28 4.23 2.09 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 0.81 0.00 0.00 0.94 0.00 0.00 20 V 9.10 4.43 2.12 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 1.03 0.00 0.00 1.04 0.00 0.00 21 C 8.91 5.41 0.00 3.06 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.92 4.75 0.00 4.02 4.04 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 23 C 8.54 4.96 0.00 2.81 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 24 A 8.86 4.52 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.41 4.15 0.00 1.87 1.93 0.00 3.28 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 26 G 9.33 3.95 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 0.00 0.00 0.00 27 Y 7.67 5.26 0.00 2.93 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.95 4.71 4.26 0.00 0.00 0.00 0.00 0.00 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 29 L 8.50 4.57 0.00 1.68 1.64 1.01 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 30 A 9.31 4.28 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 31 D 8.84 4.31 0.00 2.68 2.76 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 32 N 8.14 4.37 0.00 2.81 2.94 0.00 0.00 6.02 7.00 0.00 0.00 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 G 8.39 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.66 4.48 0.00 1.76 1.95 0.00 1.65 0.00 0.00 1.88 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.56 7.81 35 A 8.23 4.86 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.21 5.31 0.00 2.56 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.85 4.64 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.92 0.91 0.00 0.00 38 P 0.00 4.29 0.00 1.78 1.66 0.00 3.67 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 39 T 8.43 4.18 4.20 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 1.19 0.00 0.00 40 G 7.32 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.15 0.00 1.61 1.82 0.00 3.90 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 42 Y 7.48 3.65 0.00 3.20 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 43 P 0.00 4.35 0.00 1.71 1.69 0.00 3.59 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.78 0.00 44 C 8.33 4.33 0.00 3.19 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 45 G 8.94 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.35 4.59 0.00 1.93 1.77 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.69 1.60 7.81 47 Q 8.68 4.17 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.37 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 48 T 8.20 4.43 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 49 L 7.70 4.30 0.00 1.66 1.61 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00