NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4359 8.2493 123.5821 51.8985 21.5973 178.0040 2 K 3.9336 9.3366 119.9662 55.1055 31.9948 176.9372 3 T 4.4538 9.4259 102.0541 60.4195 73.1989 172.6207 4 I 3.1386 7.8035 130.7348 60.3028 37.0639 172.1259 5 K 5.0369 8.3681 124.0133 54.7908 34.8373 175.7352 6 I 4.8508 8.8802 125.0343 60.2619 41.2042 174.6087 7 T 4.5125 7.9340 115.9386 62.9504 73.0476 174.0568 8 Q 3.5898 9.0430 128.7030 59.9972 28.8424 178.0767 9 T 3.6170 8.4018 118.0899 63.2172 66.7905 172.0540 10 R 4.6443 6.9574 118.5293 53.6772 33.1362 175.9722 11 S 4.0339 8.6633 115.6701 58.9156 63.3172 174.9113 12 A 4.6077 8.2713 131.2780 51.1043 17.8527 176.0709 13 I 4.1245 7.6303 122.8399 62.6144 38.5049 178.3836 14 G 3.9249 7.8671 105.2401 45.5431 0.0000 174.1258 15 R 4.1226 7.9193 118.8363 56.1965 30.7722 176.4444 16 L 4.1341 8.5303 120.6426 54.5779 42.6092 176.5854 17 P 4.2509 0.0000 0.0000 65.9220 31.3136 179.1627 18 K 4.1089 8.0242 116.1686 59.2232 31.7984 178.4065 19 H 4.6272 8.3827 117.6161 58.2387 28.9983 177.3858 20 K 3.6462 8.2388 119.5749 59.6504 31.9514 179.0789 21 A 3.9756 8.0148 121.0741 55.4002 18.4184 179.7049 22 T 3.8125 7.4601 106.9182 64.9503 68.5241 176.0031 23 L 3.8886 8.4571 122.7973 57.8178 42.2100 178.6685 24 L 4.1511 7.9705 120.1728 58.2602 41.9571 179.1391 25 G 3.8521 7.7431 106.1998 48.4517 0.0000 174.0459 26 L 4.1434 8.0841 118.1029 54.3437 41.8626 178.2869 27 G 3.8582 8.5556 106.9246 45.5916 0.0000 173.9423 28 L 3.7647 7.3841 119.7799 54.6062 41.7501 175.9647 29 R 4.1404 8.2158 125.1800 57.5397 30.7275 181.7858 30 R 4.4426 8.4254 127.0104 56.6847 31.0150 176.6956 31 I 4.2266 8.5191 111.8658 63.8079 39.2048 177.9695 32 G 3.7581 7.9749 106.8503 45.2648 0.0000 173.7436 33 H 3.4665 7.1562 117.3220 55.3955 30.0296 171.0955 34 T 4.0964 8.4410 127.9218 63.0653 67.8770 171.6321 35 V 4.6584 7.9281 124.4663 59.8048 35.6543 173.6182 36 E 5.0765 8.7333 121.8714 54.1137 31.8141 172.9350 37 R 4.6526 9.1756 125.1872 56.5036 32.4081 177.9784 38 E 4.7573 9.0812 116.4522 55.4885 33.5396 173.5798 39 D 4.9263 8.4280 116.6034 54.6052 41.7055 176.5211 40 T 4.2103 7.7229 114.0273 61.9785 70.2817 173.0973 41 P 4.0789 0.0000 0.0000 66.3305 31.5458 178.0621 42 A 4.0095 8.1019 118.7306 55.4193 18.2364 179.1190 43 I 3.5704 7.6021 114.8807 64.0635 38.0359 178.2548 44 R 4.0737 8.9056 119.7656 58.6836 29.7093 178.5477 45 G 3.6196 8.1428 105.7830 47.7584 0.0000 175.7035 46 M 4.0793 7.9998 119.6714 58.3377 32.2312 178.1880 47 I 3.7359 7.8167 119.6415 64.7110 37.2570 177.5382 48 N 4.1959 7.8394 116.9449 56.9893 38.4698 176.4705 49 A 4.1094 7.6054 120.6284 54.5551 18.6348 179.0201 50 V 4.4012 7.7408 110.0617 60.8392 32.5172 178.2746 51 S 4.1382 8.2897 116.8294 61.5959 62.6056 175.8940 52 F 4.2917 8.6199 114.9250 59.3322 36.7694 175.7074 53 M 3.3771 5.8600 121.0476 57.4627 32.1605 177.9409 54 V 4.7623 7.6670 114.6208 60.8408 34.2081 175.7914 55 K 4.3214 8.8133 122.6331 55.2510 34.4735 175.0497 56 V 4.2776 8.3551 127.8847 61.9461 32.5218 175.7176 57 E 4.9027 8.5524 127.1953 55.4124 29.4492 176.0026 58 E 4.1041 8.2237 121.9881 56.7444 29.5834 176.7139 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 A 8.25 4.44 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 2 K 9.34 3.93 0.00 1.96 1.51 0.00 1.54 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.43 7.81 3 T 9.43 4.45 4.28 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 1.21 0.00 0.00 4 I 7.80 3.14 1.94 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.95 0.90 0.00 0.00 5 K 8.37 5.04 0.00 1.73 1.69 0.00 1.50 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.50 7.81 6 I 8.88 4.85 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.88 0.87 0.00 0.00 7 T 7.93 4.51 4.32 0.00 0.00 0.00 0.00 0.00 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 8 Q 9.04 3.59 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.62 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 9 T 8.40 3.62 4.46 0.00 0.00 0.00 0.00 0.00 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 10 R 6.96 4.64 0.00 1.51 1.76 0.00 3.22 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.48 0.00 11 S 8.66 4.03 0.00 3.82 3.78 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 12 A 8.27 4.61 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 13 I 7.63 4.12 1.89 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 1.24 0.64 0.92 0.00 0.00 14 G 7.87 3.92 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 0.00 15 R 7.92 4.12 0.00 1.88 2.10 0.00 3.36 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.01 0.00 16 L 8.53 4.13 0.00 1.46 1.53 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.25 0.00 2.15 2.11 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 18 K 8.02 4.11 0.00 1.71 1.86 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.46 7.81 19 H 8.38 4.63 0.00 3.43 3.33 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.24 3.65 0.00 1.81 1.91 0.00 1.68 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.57 1.74 7.81 21 A 8.01 3.98 1.44 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 22 T 7.46 3.81 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 1.33 0.00 0.00 23 L 8.46 3.89 0.00 1.79 1.81 1.00 0.97 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 24 L 7.97 4.15 0.00 1.81 1.87 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.74 3.85 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 0.00 0.00 0.00 26 L 8.08 4.14 0.00 1.85 1.65 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.56 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 28 L 7.38 3.76 0.00 1.58 1.70 0.85 0.66 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 29 R 8.22 4.14 0.00 1.93 1.78 0.00 3.25 0.00 0.00 3.25 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.84 0.00 30 R 8.43 4.44 0.00 1.80 1.75 0.00 3.22 0.00 0.00 3.31 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 31 I 8.52 4.23 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.71 0.90 0.00 0.00 32 G 7.97 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 33 H 7.16 3.47 0.00 3.17 3.16 0.00 5.87 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.44 4.10 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 1.28 0.00 0.00 35 V 7.93 4.66 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 0.79 0.00 0.00 0.96 0.00 0.00 36 E 8.73 5.08 0.00 1.98 1.86 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 2.19 2.27 0.00 37 R 9.18 4.65 0.00 1.91 0.92 0.00 3.15 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 38 E 9.08 4.76 0.00 1.91 1.81 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 2.21 2.35 0.00 39 D 8.43 4.93 0.00 2.61 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 40 T 7.72 4.21 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 1.25 0.00 0.00 41 P 0.00 4.08 0.00 2.01 2.15 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.18 0.00 42 A 8.10 4.01 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 43 I 7.60 3.57 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.19 1.02 0.00 0.00 44 R 8.91 4.07 0.00 2.00 2.01 0.00 3.18 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 45 G 8.14 3.62 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 0.00 0.00 0.00 46 M 8.00 4.08 0.00 1.99 2.26 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.65 0.00 47 I 7.82 3.74 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.84 0.90 0.00 0.00 48 N 7.84 4.20 0.00 2.67 2.99 0.00 0.00 7.21 7.76 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 49 A 7.61 4.11 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.74 4.40 1.82 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 0.70 0.00 0.00 0.95 0.00 0.00 51 S 8.29 4.14 0.00 4.02 4.12 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 0.00 0.00 0.00 52 F 8.62 4.29 0.00 3.21 3.18 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 53 M 5.86 3.38 0.00 1.70 1.23 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.15 0.00 54 V 7.67 4.76 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 0.55 0.00 0.00 0.93 0.00 0.00 55 K 8.81 4.32 0.00 1.74 1.60 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.37 7.81 56 V 8.36 4.28 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 0.90 0.00 0.00 0.91 0.00 0.00 57 E 8.55 4.90 0.00 1.82 1.87 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 2.21 2.35 0.00 58 E 8.22 4.10 0.00 2.05 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 2.27 2.37 0.00