NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.1901 7.9133 120.6716 63.0072 33.2263 174.1483 3 D 5.4104 8.7308 127.3864 52.7559 43.7597 173.6279 4 Y 5.2296 9.3918 118.4586 56.3655 42.6687 174.0112 5 I 4.7745 8.6166 121.8635 59.4666 40.7043 174.5502 6 V 4.2726 8.5425 129.1049 62.6269 32.0066 175.9941 7 E 4.3501 9.2843 127.0434 56.8299 31.3529 175.9609 8 Y 4.8835 7.8281 115.5938 55.8508 41.9784 174.9833 9 D 4.8342 9.1832 123.5670 55.1563 41.7250 175.2527 10 Y 4.7984 9.0336 123.2574 55.8896 42.5859 173.3367 11 D 5.0012 7.2793 124.7203 51.8362 43.1514 176.1277 12 A 4.2346 8.3557 127.1762 52.6471 18.7655 177.6410 13 V 4.2370 8.7521 115.1679 61.4578 32.9860 175.7880 14 H 4.9674 7.6624 116.4658 53.6044 32.5707 173.9469 15 D 4.3722 8.8744 122.0381 57.7156 40.9379 177.7026 16 D 4.5410 8.1263 116.9402 55.5714 41.2353 175.4553 17 E 5.1984 8.0078 119.0095 54.9351 31.7577 175.0447 18 L 4.6519 9.1721 124.4047 54.0487 43.3847 176.0737 19 T 4.5563 8.6060 123.8658 63.2911 69.1951 174.0447 20 I 4.9138 9.0665 119.9768 59.1444 41.4989 174.5957 21 R 5.2441 9.0805 121.8335 53.9425 34.2470 175.1026 22 V 3.6969 8.7699 122.0849 65.0454 31.7914 176.2767 23 G 4.0306 8.8710 115.7258 45.2218 0.0000 173.6944 24 E 4.1824 8.1404 119.6882 56.4610 30.7483 175.9937 25 I 4.7058 8.2348 123.8640 60.2199 38.9064 175.0105 26 I 4.5399 9.0654 128.7141 59.7486 38.9250 175.0087 27 R 4.8591 8.9573 124.5154 54.8366 31.7571 175.5755 28 N 4.1472 8.4958 117.7270 54.8097 37.4623 174.6487 29 V 4.2259 8.0843 118.3034 62.9112 32.9144 176.2174 30 K 4.7750 9.2991 127.0883 54.1936 35.7606 175.7837 31 K 4.4126 8.7123 123.0504 56.6142 32.6702 176.4969 32 L 4.6522 7.7147 123.2407 53.0274 43.6143 176.9990 33 Q 4.0751 8.6762 119.6925 58.8989 28.9428 177.7450 34 E 3.9139 8.0938 116.5727 56.5150 29.8652 176.2710 35 E 3.9810 8.7577 124.9495 57.3234 30.2817 176.6618 36 G 4.2471 9.1849 113.5535 45.2958 0.0000 172.0951 37 W 5.0022 7.7901 118.1880 54.4947 33.2573 174.2899 38 L 4.9569 8.4258 121.9511 52.7493 45.6061 174.8421 39 E 5.0856 8.5977 121.5033 54.6998 32.5075 175.1263 40 G 4.4426 9.2161 112.3440 45.6586 0.0000 170.5588 41 E 5.2711 9.3248 121.2151 54.3467 31.9536 174.5422 42 L 4.6896 8.8520 128.4840 53.5442 45.4660 175.7100 43 N 3.8689 9.7595 126.2162 54.8406 37.1152 174.5462 44 G 3.9456 8.5321 102.5050 45.5494 0.0000 172.8185 45 R 4.6585 7.7744 120.2659 54.2497 33.0708 174.1210 46 R 5.0380 8.5391 126.1743 55.2716 31.9417 175.0643 47 G 4.3095 8.9227 111.7996 46.0750 0.0000 171.8837 48 M 5.2358 8.9507 118.4991 54.4896 33.7576 175.0975 49 F 5.1335 8.1698 112.4251 55.6893 41.7531 171.5708 50 P 3.7030 0.0000 0.0000 61.4625 31.8381 177.1001 51 D 4.4071 8.3507 120.9456 55.8599 39.4502 177.2691 52 N 4.8324 8.0390 115.9572 53.0981 37.5309 175.1420 53 F 4.7846 8.3028 116.7694 57.9525 40.5546 175.2070 54 V 5.2262 7.7470 110.0181 59.5381 36.0646 174.8059 55 K 4.6175 9.1916 121.9947 54.6052 35.6100 174.9167 56 E 2.5983 8.4696 128.3547 56.3591 30.0836 175.9551 57 I 4.0800 8.0016 128.4132 60.4082 37.9410 176.3229 58 K 4.1277 8.3960 125.8227 56.4956 32.6679 176.1030 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 V 7.91 4.19 2.30 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 1.03 0.00 0.00 1.01 0.00 0.00 3 D 8.73 5.41 0.00 2.76 2.62 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 0.00 0.00 0.00 4 Y 9.39 5.23 0.00 2.80 2.89 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 5 I 8.62 4.77 1.87 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 1.11 1.65 0.98 0.00 0.00 6 V 8.54 4.27 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 1.00 0.00 0.00 0.92 0.00 0.00 7 E 9.28 4.35 0.00 1.76 1.49 0.00 0.00 0.00 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 2.29 0.00 8 Y 7.83 4.88 0.00 2.79 2.83 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 9 D 9.18 4.83 0.00 2.70 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 9.03 4.80 0.00 2.44 2.64 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 11 D 7.28 5.00 0.00 2.27 2.33 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 12 A 8.36 4.23 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.75 4.24 2.02 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 0.74 0.00 0.00 1.11 0.00 0.00 14 H 7.66 4.97 0.00 3.10 3.10 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.87 4.37 0.00 2.67 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 16 D 8.13 4.54 0.00 2.67 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.01 5.20 0.00 2.14 2.29 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 2.40 2.28 0.00 18 L 9.17 4.65 0.00 1.99 1.69 1.06 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.61 4.56 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 1.28 0.00 0.00 20 I 9.07 4.91 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 1.36 0.92 0.76 0.00 0.00 21 R 9.08 5.24 0.00 1.69 1.81 0.00 3.36 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 22 V 8.77 3.70 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 0.67 0.00 0.00 0.90 0.00 0.00 23 G 8.87 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 0.00 0.00 0.00 0.00 24 E 8.14 4.18 0.00 1.98 1.85 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 2.32 2.43 0.00 25 I 8.23 4.71 1.88 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 1.34 0.80 0.99 0.00 0.00 26 I 9.07 4.54 1.79 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.57 0.76 0.00 0.00 27 R 8.96 4.86 0.00 1.90 2.07 0.00 2.94 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.58 0.00 28 N 8.50 4.15 0.00 2.92 2.91 0.00 0.00 7.11 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 29 V 8.08 4.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 1.03 0.00 0.00 30 K 9.30 4.78 0.00 1.66 1.64 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.57 7.81 31 K 8.71 4.41 0.00 1.64 1.74 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.43 7.81 32 L 7.71 4.65 0.00 1.83 1.64 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.68 4.08 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 34 E 8.09 3.91 0.00 1.89 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 2.06 2.28 0.00 35 E 8.76 3.98 0.00 1.96 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 2.31 2.27 0.00 36 G 9.18 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.79 5.00 0.00 3.13 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 38 L 8.43 4.96 0.00 0.42 1.00 0.50 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.60 5.09 0.00 1.98 1.71 0.00 0.00 0.00 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 2.27 0.00 40 G 9.22 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 41 E 9.32 5.27 0.00 2.04 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 2.25 0.00 42 L 8.85 4.69 0.00 1.64 1.41 0.89 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 43 N 9.76 3.87 0.00 2.85 2.81 0.00 0.00 7.26 7.98 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 44 G 8.53 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 45 R 7.77 4.66 0.00 1.90 1.93 0.00 3.10 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 46 R 8.54 5.04 0.00 1.89 1.82 0.00 3.35 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 47 G 8.92 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.95 5.24 0.00 2.04 2.30 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 2.45 2.51 0.00 49 F 8.17 5.13 0.00 3.01 3.20 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 50 P 0.00 3.70 0.00 1.94 0.59 0.00 2.90 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.44 0.00 51 D 8.35 4.41 0.00 2.94 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 52 N 8.04 4.83 0.00 2.69 2.87 0.00 0.00 5.95 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.30 4.78 0.00 3.13 3.39 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 0.00 0.00 0.00 0.00 54 V 7.75 5.23 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 1.33 0.00 0.00 55 K 9.19 4.62 0.00 1.79 1.60 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.28 7.81 56 E 8.47 2.60 0.00 1.36 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.87 0.00 57 I 8.00 4.08 1.95 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 1.20 0.61 0.88 0.00 0.00 58 K 8.40 4.13 0.00 1.65 1.62 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 1.29 7.81