NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6348 8.3493 120.1897 53.9789 43.4167 174.4718 2 S 4.2636 7.9690 111.1310 55.7525 65.1945 170.2066 3 L 5.0765 7.9147 116.7603 54.5115 41.0353 174.7611 4 G 3.6420 8.2026 107.4225 46.2399 0.0000 169.9989 5 R 3.9767 8.6448 132.7968 55.6474 30.7953 174.4567 6 E 4.3818 8.5460 125.5376 55.0553 30.6151 175.0690 7 A 4.4515 8.2828 129.1338 51.1573 19.7676 176.6069 8 K 4.2026 8.3492 122.6665 55.5206 33.1505 176.0966 9 C 4.6207 8.2705 120.3242 55.5138 42.6753 172.3378 10 Y 4.5848 8.2416 118.0838 56.7050 38.2393 175.6165 11 N 4.5657 8.7107 124.4369 55.8717 39.5387 176.1416 12 E 4.4938 8.2221 114.5742 56.5364 29.4147 175.8944 13 L 4.6897 7.7017 120.0728 54.1126 45.2882 175.0782 14 N 5.3807 8.7315 122.3624 52.6133 39.4368 173.9273 15 G 3.9051 7.8225 105.5689 44.6290 0.0000 171.9427 16 C 5.2633 8.2309 116.0149 54.8741 43.6246 173.6542 17 T 4.4594 8.4401 110.2992 61.4140 69.3706 174.4884 18 L 4.6901 8.2449 122.9365 54.7755 42.3709 176.6951 19 E 4.3087 8.1288 115.7484 55.7645 30.8456 175.2422 20 Y 4.6972 8.4020 121.3758 56.4599 39.4654 175.8174 21 R 4.7031 8.7755 128.1561 53.1147 31.0769 172.8428 22 P 5.1763 0.0000 0.0000 62.7478 32.9290 176.7296 23 V 4.6778 8.2491 113.5654 59.7587 36.0872 174.9367 24 C 4.9532 9.0450 124.7899 55.3501 45.3087 173.4864 25 G 4.4370 9.9014 115.6976 45.4846 0.0000 173.9679 26 T 4.4113 9.5047 110.6091 62.9490 68.2000 174.7848 27 D 4.5052 8.1560 121.6551 54.0035 40.3924 177.3710 28 G 4.0985 8.6029 108.1132 44.9825 0.0000 172.5396 29 D 5.0592 8.5308 118.8353 52.4094 44.2783 175.4270 30 T 4.8032 8.1881 117.6824 63.1564 70.0244 173.8221 31 Y 4.5739 8.5153 122.8256 55.4824 40.9190 175.3078 32 P 4.2159 0.0000 0.0000 65.3398 32.1382 175.4439 33 N 5.3515 7.4743 112.8440 51.5469 39.9300 174.8468 34 E 3.9734 8.6556 118.2343 59.4318 29.6032 178.8180 35 C 4.4692 8.2792 118.1787 59.7137 44.5478 175.5872 36 V 3.6800 7.9505 119.4960 65.9072 31.1142 177.7838 37 L 3.3998 7.4706 119.1708 57.8979 41.8431 178.1553 38 C 4.1009 8.4585 118.8859 59.7884 43.9370 175.6451 39 F 3.6339 8.4088 119.3199 60.2734 38.3918 177.6526 40 E 4.0434 8.5481 118.4702 59.6935 29.3736 179.0906 41 N 4.6912 8.0838 117.6670 55.6342 38.3048 177.7935 42 R 3.8065 7.8314 119.4943 59.0909 30.0377 178.8171 43 K 3.9634 7.8946 118.4521 59.4936 32.2882 178.1150 44 R 4.1219 7.9496 115.4501 56.3518 30.8020 176.1288 45 Q 3.4688 7.3935 116.3942 57.5140 26.7450 172.2623 46 T 4.6489 8.2510 107.4360 60.0113 72.1903 173.8294 47 S 5.0554 8.0082 113.4225 57.5165 62.5959 174.1855 48 I 3.7896 7.8699 120.5208 61.4190 37.6502 176.2107 49 L 4.6425 8.3753 124.5974 53.2128 44.9902 175.1493 50 I 4.7676 8.5979 121.9473 60.5873 37.2285 176.3294 51 Q 4.2496 9.5559 130.3481 58.5321 29.2278 176.1426 52 K 4.7890 7.6849 116.7392 55.4472 36.0402 175.4110 53 S 4.5759 8.6204 117.0267 58.6104 64.1308 174.2169 54 G 3.8916 8.5066 109.1137 44.0769 0.0000 171.4556 55 P 4.4638 0.0000 0.0000 62.2728 31.9526 177.7226 56 C 4.4866 8.1649 115.7451 57.4962 41.0983 173.9822 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 D 8.35 4.63 0.00 2.63 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 2 S 7.97 4.26 0.00 4.03 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 3 L 7.91 5.08 0.00 1.83 1.88 0.90 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 4 G 8.20 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.64 3.98 0.00 2.02 1.98 0.00 3.14 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 6 E 8.55 4.38 0.00 1.92 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 7 A 8.28 4.45 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.35 4.20 0.00 1.60 1.59 0.00 1.60 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.60 7.81 9 C 8.27 4.62 0.00 2.79 3.01 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 10 Y 8.24 4.58 0.00 3.01 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 11 N 8.71 4.57 0.00 2.74 2.82 0.00 0.00 7.17 7.65 0.00 0.00 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 E 8.22 4.49 0.00 2.08 2.01 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 2.35 2.28 0.00 13 L 7.70 4.69 0.00 1.51 1.60 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.73 5.38 0.00 2.78 2.92 0.00 0.00 6.70 7.65 0.00 0.00 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 G 7.82 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 0.00 0.00 0.00 16 C 8.23 5.26 0.00 2.93 3.11 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 17 T 8.44 4.46 4.36 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 0.94 0.00 0.00 18 L 8.24 4.69 0.00 1.67 1.74 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.13 4.31 0.00 2.13 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 2.34 0.00 20 Y 8.40 4.70 0.00 2.88 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 8.78 4.70 0.00 1.66 1.74 0.00 3.20 0.00 0.00 3.22 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 22 P 0.00 5.18 0.00 1.96 1.87 0.00 3.53 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.89 0.00 23 V 8.25 4.68 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 0.73 0.00 0.00 1.00 0.00 0.00 24 C 9.04 4.95 0.00 3.02 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 25 G 9.90 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 0.00 0.00 0.00 0.00 26 T 9.50 4.41 4.24 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 1.20 0.00 0.00 27 D 8.16 4.51 0.00 2.85 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 28 G 8.60 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 0.00 0.00 0.00 0.00 29 D 8.53 5.06 0.00 3.14 2.24 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 30 T 8.19 4.80 4.17 0.00 0.00 0.00 0.00 0.00 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 31 Y 8.52 4.57 0.00 2.96 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 32 P 0.00 4.22 0.00 2.26 2.27 0.00 3.76 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 2.19 2.15 0.00 33 N 7.47 5.35 0.00 2.91 2.88 0.00 0.00 6.38 7.66 0.00 0.00 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 E 8.66 3.97 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.28 0.00 35 C 8.28 4.47 0.00 3.01 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.95 3.68 2.39 0.00 0.00 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 0.00 0.00 1.08 0.00 0.00 37 L 7.47 3.40 0.00 1.39 1.53 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 38 C 8.46 4.10 0.00 2.96 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.41 3.63 0.00 3.23 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.55 4.04 0.00 2.26 2.10 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 2.59 2.81 0.00 41 N 8.08 4.69 0.00 2.77 2.93 0.00 0.00 6.58 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.83 3.81 0.00 1.89 1.87 0.00 2.46 0.00 0.00 2.82 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 43 K 7.89 3.96 0.00 1.84 2.22 0.00 1.87 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.50 1.47 7.81 44 R 7.95 4.12 0.00 1.87 1.98 0.00 3.41 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 45 Q 7.39 3.47 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 46 T 8.25 4.65 4.23 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 1.27 0.00 0.00 47 S 8.01 5.06 0.00 3.75 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 48 I 7.87 3.79 1.72 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.91 0.90 0.00 0.00 49 L 8.38 4.64 0.00 1.57 1.71 0.93 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.60 4.77 1.91 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.44 0.89 0.00 0.00 51 Q 9.56 4.25 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.62 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 52 K 7.68 4.79 0.00 1.82 1.84 0.00 1.56 0.00 0.00 1.88 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.44 7.81 53 S 8.62 4.58 0.00 3.99 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 54 G 8.51 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.46 0.00 2.07 2.03 0.00 3.69 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 2.07 2.14 0.00 56 C 8.16 4.49 0.00 2.99 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