NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3004 8.1133 119.7127 56.0842 32.4704 175.2176 5 I 3.8281 7.6119 119.8202 60.8215 38.1413 174.1205 6 R 5.2889 9.4978 126.0641 54.3294 34.8277 174.1692 7 K 4.9175 9.1729 120.6563 55.0003 36.4133 174.3625 8 C 4.5956 8.6574 126.7345 57.8170 32.1087 172.7908 9 P 4.3051 0.0000 0.0000 65.0733 31.9742 177.1945 10 K 3.8478 8.0256 117.2382 58.4770 30.1193 177.0299 11 C 4.1819 8.8522 122.7248 59.2781 30.7145 175.6289 12 G 3.5784 7.9362 108.4770 46.2678 0.0000 173.6694 13 R 4.0169 7.1364 117.5699 56.2304 31.1212 175.0459 14 Y 4.8668 8.4580 123.7074 57.7615 39.3151 174.4797 15 T 4.5804 9.2543 117.0660 61.8489 71.1884 173.6633 16 L 4.7647 8.4154 122.2982 54.3275 42.9241 177.7526 17 K 4.2777 7.7912 117.9092 56.1669 32.7030 177.0291 18 E 4.2198 8.7267 120.5088 58.7052 30.7838 176.6979 19 T 5.0102 7.6376 115.5207 61.1805 71.4179 173.8482 20 C 4.0930 9.2580 127.6850 59.3820 31.9343 173.0472 21 P 4.3098 0.0000 0.0000 65.4372 31.3250 177.6864 22 V 4.0131 7.6774 110.1592 61.9319 32.3218 175.9433 23 C 4.4751 8.2890 118.0287 59.0655 33.7772 173.0786 24 G 3.7054 9.6340 105.9267 44.6509 0.0000 171.6596 25 E 4.6929 7.3138 119.7098 54.7364 33.8826 174.3501 26 K 4.5811 8.6652 126.9722 57.0648 32.5432 176.6402 27 T 4.4226 8.8250 118.8639 61.3194 70.2674 173.6753 28 K 4.7095 8.7507 122.9477 54.0248 36.2104 175.5251 29 V 3.9791 8.5117 116.5581 61.5046 31.8063 177.2364 30 A 4.6199 8.6276 130.7012 50.7610 16.1590 177.0373 31 H 4.7175 7.4695 113.8320 53.7703 31.4306 172.6384 32 P 4.4609 0.0000 0.0000 61.8942 31.8634 174.4515 33 P 4.4536 0.0000 0.0000 62.6500 31.8780 176.7549 34 R 4.1418 8.4644 119.5781 56.4771 30.6597 176.0399 35 F 4.9722 8.5302 122.6150 56.7180 41.7960 174.9763 36 S 4.3827 6.7193 119.2764 55.7219 65.1932 173.1477 37 P 4.2221 0.0000 0.0000 65.2528 30.9846 177.3711 38 E 3.8094 7.2671 118.2241 58.0615 29.9217 176.4284 39 D 4.3098 7.8371 115.4461 54.6604 39.3775 172.7393 40 P 4.0848 0.0000 0.0000 65.6090 32.1913 177.5662 41 Y 4.6538 7.8416 113.5954 57.8865 38.5066 177.1276 42 G 3.9291 8.0702 111.0185 47.5294 0.0000 176.0176 43 E 4.0625 8.2220 120.8409 58.9333 29.4144 178.7034 44 Y 4.2273 8.0045 119.3832 60.8766 39.1194 178.1876 45 R 3.6182 8.6651 117.2903 59.1344 29.3764 178.9351 46 R 3.9340 8.1216 118.9666 59.0093 29.7461 178.8939 47 R 3.4824 7.7972 118.3517 59.1521 30.0395 178.6068 48 L 3.9842 7.3971 118.8077 57.3254 41.5383 179.6014 49 K 3.9178 7.9797 118.4596 59.4074 32.1830 179.3029 50 R 4.0738 8.8093 119.5314 58.4668 29.4716 177.0670 51 E 4.2980 7.6316 116.4174 57.4766 30.8309 176.8443 52 L 3.8677 7.8297 118.6834 56.4583 42.3310 177.4710 53 L 4.6618 8.3024 117.1701 53.2531 44.1286 174.4567 54 G 3.6883 7.4676 108.2998 45.6285 0.0000 172.6511 55 I 4.3427 8.9546 122.5573 60.9410 40.3918 176.1994 56 G 4.0415 8.4007 112.6216 45.7348 0.0000 173.2788 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 4 R 8.11 4.30 0.00 1.88 2.06 0.00 3.27 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 5 I 7.61 3.83 1.93 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.81 1.01 0.00 0.00 6 R 9.50 5.29 0.00 1.84 1.90 0.00 3.15 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.77 0.00 7 K 9.17 4.92 0.00 1.37 1.40 0.00 1.41 0.00 0.00 1.28 0.00 0.00 2.13 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.05 0.84 7.81 8 C 8.66 4.60 0.00 3.00 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 9 P 0.00 4.31 0.00 2.05 2.08 0.00 3.84 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 10 K 8.03 3.85 0.00 1.71 1.59 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.32 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.65 1.35 7.81 11 C 8.85 4.18 0.00 3.08 3.15 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 12 G 7.94 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.14 4.02 0.00 1.92 1.76 0.00 3.18 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 14 Y 8.46 4.87 0.00 2.95 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 15 T 9.25 4.58 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 16 L 8.42 4.76 0.00 1.68 1.71 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.79 4.28 0.00 1.76 1.75 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.42 7.81 18 E 8.73 4.22 0.00 1.89 1.99 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 2.40 2.29 0.00 19 T 7.64 5.01 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 1.23 0.00 0.00 20 C 9.26 4.09 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 21 P 0.00 4.31 0.00 2.22 2.17 0.00 3.80 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 22 V 7.68 4.01 2.08 0.00 0.00 0.00 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 0.92 0.00 0.00 23 C 8.29 4.48 0.00 2.87 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 24 G 9.63 3.71 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 0.00 0.00 0.00 25 E 7.31 4.69 0.00 2.01 1.72 0.00 0.00 0.00 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 2.28 0.00 26 K 8.67 4.58 0.00 1.80 1.72 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.44 7.81 27 T 8.83 4.42 4.34 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 1.26 0.00 0.00 28 K 8.75 4.71 0.00 1.82 1.60 0.00 1.53 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.38 7.81 29 V 8.51 3.98 1.96 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 0.71 0.00 0.00 0.75 0.00 0.00 30 A 8.63 4.62 1.51 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 31 H 7.47 4.72 0.00 3.20 3.29 0.00 5.73 0.00 0.00 0.00 0.00 6.75 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 4.46 0.00 2.25 2.13 0.00 3.88 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 2.05 2.03 0.00 33 P 0.00 4.45 0.00 2.14 2.09 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 34 R 8.46 4.14 0.00 1.85 1.92 0.00 3.37 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 35 F 8.53 4.97 0.00 2.94 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 36 S 6.72 4.38 0.00 3.70 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.22 0.00 2.18 2.16 0.00 3.69 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 1.91 1.96 0.00 38 E 7.27 3.81 0.00 2.00 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 2.29 2.17 0.00 39 D 7.84 4.31 0.00 2.89 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.08 0.00 1.45 1.77 0.00 3.69 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.99 0.00 41 Y 7.84 4.65 0.00 3.13 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 42 G 8.07 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 43 E 8.22 4.06 0.00 2.09 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 0.00 2.43 2.39 0.00 44 Y 8.00 4.23 0.00 3.17 3.38 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 45 R 8.67 3.62 0.00 1.95 2.18 0.00 2.85 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.68 0.00 46 R 8.12 3.93 0.00 2.15 2.02 0.00 3.14 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 47 R 7.80 3.48 0.00 2.07 2.01 0.00 3.12 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 48 L 7.40 3.98 0.00 1.68 1.54 0.46 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.98 3.92 0.00 1.91 1.82 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.62 7.81 50 R 8.81 4.07 0.00 1.92 1.92 0.00 3.05 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 51 E 7.63 4.30 0.00 2.16 2.04 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 2.19 2.26 0.00 52 L 7.83 3.87 0.00 1.80 1.80 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.30 4.66 0.00 1.62 1.67 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.47 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.95 4.34 1.96 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 1.23 0.71 0.91 0.00 0.00 56 G 8.40 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 0.00 0.00 0.00