NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3423 8.2649 123.5832 51.7225 18.9050 176.2739 2 V 3.6553 8.4940 116.3438 64.1786 31.8455 176.3955 3 C 5.0726 7.6292 115.8874 53.8615 43.4441 171.5039 4 P 4.4741 0.0000 0.0000 62.4784 31.4527 176.4703 5 T 4.0218 8.3702 113.3366 62.9246 70.1824 173.2992 6 G 4.1321 8.4664 107.7511 44.2150 0.0000 175.1177 7 L 3.7982 8.9426 125.6382 57.5290 42.5316 177.4540 8 F 4.8955 7.9292 117.7690 56.4715 37.8584 176.2852 9 S 4.5911 7.7327 112.2305 58.3504 64.2845 174.1751 10 N 4.9008 8.2049 120.7781 51.1013 39.6817 172.3566 11 P 5.1153 0.0000 0.0000 62.6585 32.1522 175.8076 12 L 5.1139 9.7529 123.5219 53.1769 46.7640 174.9230 13 C 5.2425 9.5846 119.3946 56.0939 39.9181 172.3657 14 C 5.7488 9.2856 121.1892 53.7536 43.3423 175.3662 15 A 3.9004 8.5695 123.1123 55.4704 18.6176 177.5590 16 T 4.0552 7.2959 106.9015 61.8672 71.1658 171.8678 17 N 5.3152 8.2460 123.9619 50.9220 40.2438 172.7040 18 V 3.6957 8.7511 124.7786 64.3131 32.0694 176.1386 19 L 3.6103 9.4752 124.0923 55.3079 39.3386 174.0924 20 D 4.6149 8.5099 115.9780 55.1966 38.7236 174.4435 21 L 4.9273 8.4496 121.1806 53.6104 45.6108 175.3718 22 I 4.8178 7.8121 119.5278 59.1442 39.5059 175.2200 23 G 4.0198 9.2773 116.5419 45.9665 0.0000 171.6707 24 V 4.5673 8.6796 124.5120 61.2978 34.5479 174.9969 25 D 4.6036 8.3528 124.3928 55.6486 38.3453 173.9615 26 C 4.9597 7.7950 114.1203 56.7944 37.4737 175.1150 27 K 4.7958 8.7949 119.8663 55.0182 36.5309 175.7876 28 T 4.3003 8.5856 119.1208 61.2790 68.0109 172.3052 29 P 4.5767 0.0000 0.0000 63.5950 31.9042 176.4306 30 T 4.4121 8.7516 115.5480 63.7866 69.3291 174.2036 31 I 4.6047 7.0680 112.9324 58.4079 40.9472 174.1933 32 A 4.1591 8.3472 123.3217 52.0147 18.7406 178.3472 33 V 4.2728 7.8869 116.6622 59.7926 31.2423 175.0727 34 D 4.5662 8.2595 123.3626 55.3173 41.8993 177.3811 35 T 4.8702 7.5848 109.2036 59.2502 73.1046 175.0951 36 G 3.8013 8.6748 108.4515 47.5083 0.0000 176.0279 37 A 4.0918 7.9683 122.9746 55.2499 18.5473 179.6058 38 I 3.7970 7.7982 118.0769 64.2159 37.1910 178.3387 39 F 4.5028 8.3980 121.6646 61.5342 39.2503 177.0321 40 Q 3.7193 8.1187 118.6274 59.1051 28.6578 178.0069 41 A 4.0054 7.8630 120.7570 55.1898 18.7661 178.8475 42 H 4.3022 8.7423 117.1898 59.8018 30.0600 176.7642 43 C 4.1989 8.2925 118.0319 60.0845 36.8215 175.9368 44 A 4.0908 8.1166 122.4435 55.1625 17.7273 179.2225 45 S 4.3611 7.7169 109.3806 59.7015 62.6597 174.7733 46 K 4.4884 8.1335 122.2505 55.6573 32.9174 176.4890 47 G 4.6109 8.4652 105.7577 46.6587 0.0000 173.4984 48 S 4.9040 7.3902 113.9707 56.1883 66.6247 173.3526 49 K 4.7107 9.0088 119.4416 53.9324 35.5650 174.3357 50 P 4.2924 0.0000 0.0000 62.4428 32.3395 175.0801 51 L 5.1443 9.2731 124.3757 52.9350 46.5115 175.1793 52 C 5.4578 9.7005 119.3291 56.0311 43.5667 172.5749 53 C 5.5304 9.3313 121.7689 54.8568 43.8104 174.0175 54 V 4.6132 8.3976 113.2728 59.6460 32.4330 176.6155 55 A 3.8878 8.4725 125.0521 52.1770 18.1949 176.1657 56 P 4.6759 0.0000 0.0000 62.5974 33.0400 175.7283 57 V 4.5179 7.4685 111.2315 60.7988 33.3559 174.9267 58 A 3.6331 7.7152 119.2837 55.9110 19.0227 178.4163 59 D 4.4240 7.5883 113.3476 53.9634 45.3030 175.3392 60 Q 3.5799 8.0939 121.2186 55.2185 28.4179 171.7129 61 A 4.3765 7.7642 119.1356 51.1749 19.7976 176.4393 62 L 4.4451 7.8318 118.6240 53.8393 45.9076 173.5351 63 L 4.7672 8.3928 126.9262 55.4968 42.8517 176.3300 64 C 5.7897 9.8734 123.3119 55.7419 43.8049 172.5609 65 Q 4.5948 8.9006 119.6739 54.1058 32.4753 173.6855 66 K 4.2225 8.6314 126.1571 56.4699 32.8108 176.2152 67 A 4.1492 8.2061 129.7091 51.6604 19.0968 176.6063 68 I 3.4337 8.6047 122.5636 64.5396 38.2087 174.1110 69 G 3.1784 9.2635 117.1271 46.6173 0.0000 171.0565 70 T 3.4195 6.6674 119.5313 61.3062 71.4524 174.1296 71 F 4.3622 8.2982 120.4268 57.9793 38.3151 174.9254 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 8.26 4.34 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.49 3.66 2.26 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 0.78 0.00 0.00 0.70 0.00 0.00 3 C 7.63 5.07 0.00 2.93 3.21 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 0.00 0.00 0.00 0.00 4 P 0.00 4.47 0.00 2.24 2.10 0.00 4.00 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 2.24 2.00 0.00 5 T 8.37 4.02 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 1.22 0.00 0.00 6 G 8.47 4.13 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 0.00 0.00 0.00 7 L 8.94 3.80 0.00 1.67 1.62 0.68 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 8 F 7.93 4.90 0.00 3.05 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 9 S 7.73 4.59 0.00 3.98 4.18 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 10 N 8.20 4.90 0.00 2.85 2.82 0.00 0.00 6.72 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 11 P 0.00 5.12 0.00 1.28 1.68 0.00 3.65 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 1.80 1.75 0.00 12 L 9.75 5.11 0.00 1.62 1.62 0.97 0.76 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 13 C 9.58 5.24 0.00 3.00 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 14 C 9.29 5.75 0.00 2.83 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 15 A 8.57 3.90 1.32 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 0.00 0.00 0.00 16 T 7.30 4.06 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 1.21 0.00 0.00 17 N 8.25 5.32 0.00 2.85 2.65 0.00 0.00 6.49 7.71 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 18 V 8.75 3.70 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 0.79 0.00 0.00 0.98 0.00 0.00 19 L 9.48 3.61 0.00 1.82 1.73 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.51 4.61 0.00 2.79 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.45 4.93 0.00 1.68 1.59 1.11 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.81 4.82 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.94 1.00 0.00 0.00 23 G 9.28 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 8.68 4.57 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 0.97 0.00 0.00 0.94 0.00 0.00 25 D 8.35 4.60 0.00 2.86 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 26 C 7.80 4.96 0.00 2.89 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 27 K 8.79 4.80 0.00 1.68 1.66 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.40 7.81 28 T 8.59 4.30 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 P 0.00 4.58 0.00 2.14 2.09 0.00 3.71 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.28 0.00 30 T 8.75 4.41 4.39 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 1.25 0.00 0.00 31 I 7.07 4.60 1.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.50 0.86 0.00 0.00 32 A 8.35 4.16 1.28 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 0.00 0.00 33 V 7.89 4.27 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 0.84 0.00 0.00 0.45 0.00 0.00 34 D 8.26 4.57 0.00 2.66 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 35 T 7.58 4.87 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 1.23 0.00 0.00 36 G 8.67 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 37 A 7.97 4.09 1.36 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 0.00 0.00 0.00 38 I 7.80 3.80 1.93 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 1.44 0.65 0.95 0.00 0.00 39 F 8.40 4.50 0.00 3.15 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 40 Q 8.12 3.72 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 41 A 7.86 4.01 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.74 4.30 0.00 3.41 3.66 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 C 8.29 4.20 0.00 2.90 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 44 A 8.12 4.09 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 45 S 7.72 4.36 0.00 4.07 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 4.49 0.00 1.89 1.76 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.31 1.28 7.81 47 G 8.47 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.39 4.90 0.00 3.68 3.94 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 49 K 9.01 4.71 0.00 1.58 1.59 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.31 7.81 50 P 0.00 4.29 0.00 0.74 0.84 0.00 3.47 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.65 0.00 51 L 9.27 5.14 0.00 1.63 1.62 0.99 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 52 C 9.70 5.46 0.00 2.91 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.33 5.53 0.00 2.86 3.23 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 54 V 8.40 4.61 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 0.58 0.00 0.00 0.87 0.00 0.00 55 A 8.47 3.89 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 56 P 0.00 4.68 0.00 2.20 2.09 0.00 3.71 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 57 V 7.47 4.52 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 0.74 0.00 0.00 0.93 0.00 0.00 58 A 7.72 3.63 1.25 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 59 D 7.59 4.42 0.00 2.64 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 8.09 3.58 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 61 A 7.76 4.38 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 62 L 7.83 4.45 0.00 1.75 1.48 0.96 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.39 4.77 0.00 1.81 1.49 0.98 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 64 C 9.87 5.79 0.00 3.15 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 65 Q 8.90 4.59 0.00 1.19 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.98 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 66 K 8.63 4.22 0.00 1.75 1.64 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.63 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.37 1.40 7.81 67 A 8.21 4.15 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.60 3.43 1.87 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 1.35 0.73 0.94 0.00 0.00 69 G 9.26 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 0.00 0.00 0.00 70 T 6.67 3.42 3.66 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 0.00 0.00 0.00 0.72 0.00 0.00 71 F 8.30 4.36 0.00 3.12 3.24 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