NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3265 8.3033 121.4708 55.9265 30.4226 179.4835 4 V 3.5189 8.4695 110.7084 63.5903 31.3953 176.5933 5 C 4.6591 8.0498 115.2689 58.0203 41.2362 173.6300 6 S 4.7011 7.5846 113.2492 57.6323 63.2529 174.0633 7 E 4.1402 7.7003 121.9647 56.0044 29.9715 176.5493 8 Q 3.9287 8.3723 123.4650 55.3754 29.3843 176.1227 9 A 3.0770 7.8529 123.8924 52.2969 17.9837 176.9686 10 E 4.6042 8.0589 122.8671 55.1929 31.1591 176.8324 11 T 4.2492 8.6156 115.1891 62.6799 69.3976 175.5075 12 G 4.3762 8.4411 108.0697 45.0554 0.0000 170.8863 13 P 4.3989 0.0000 0.0000 64.7093 31.8777 177.4566 14 C 4.6094 7.8768 116.4007 56.6420 40.9161 173.2534 15 K 4.1893 8.2170 118.4802 56.1656 32.4891 176.4592 16 A 4.4076 7.6955 121.3990 51.1844 21.4997 176.9617 17 M 4.7035 8.3876 117.6244 53.9568 33.8744 173.9070 18 I 4.6176 8.7546 126.9623 59.1537 40.3709 175.2126 19 S 4.5460 8.8309 123.7273 58.6513 63.6527 173.7200 20 R 4.8075 8.5077 122.9207 54.9110 35.2250 173.5447 21 W 5.7684 9.5649 118.7746 55.6369 32.9917 174.7171 22 Y 5.5883 9.3093 119.9966 55.3637 41.6378 173.7846 23 F 4.4141 9.8228 124.2449 57.7326 40.5360 174.2673 24 D 4.5788 7.9255 127.3676 52.8660 41.5366 177.5872 25 V 3.8180 8.5738 120.4618 64.8066 32.1212 178.0230 26 T 4.0132 8.0597 115.4524 66.7611 68.2663 175.5355 27 E 3.9425 8.4757 120.0792 56.9547 29.6318 178.0108 28 G 4.2863 7.5623 105.9930 45.5760 0.0000 172.7033 29 K 4.4389 6.4987 117.7723 55.6621 36.3840 173.8980 30 C 5.0126 8.5590 116.9923 56.7966 42.2621 173.2574 31 A 5.0366 8.7186 122.5120 49.9888 22.8313 173.6685 32 P 4.1766 0.0000 0.0000 62.0200 32.4653 175.7012 33 F 4.6964 8.9543 117.1083 55.6305 42.1204 173.1702 34 F 5.1068 8.4895 118.3048 56.2270 39.6104 175.3073 35 Y 4.6076 9.1935 126.9687 57.3134 40.0013 176.0649 36 G 3.9996 7.9135 111.1985 45.2095 0.0000 174.9752 37 G 3.9197 7.0215 108.2127 45.5092 0.0000 172.2754 38 C 4.9306 6.6028 111.7467 54.2219 45.2846 174.2715 39 G 3.9117 9.3982 107.5566 47.7440 0.0000 173.2338 40 G 4.0242 9.6871 108.1365 45.5016 0.0000 170.6331 41 N 4.9480 8.1282 119.2029 51.8093 40.2714 174.4076 42 R 4.0354 8.3329 115.2569 57.4463 30.7200 177.3793 43 N 4.6134 7.7794 118.4532 51.6998 36.4210 173.6153 44 N 4.8639 6.4274 115.6082 52.8925 41.0370 173.2225 45 F 5.1499 9.5597 125.5259 55.5460 42.6591 176.3177 46 D 4.4777 9.4406 121.9568 56.8141 41.7746 176.9221 47 T 4.8161 7.7417 107.6677 58.7767 73.1633 174.1255 48 E 2.6702 7.5162 122.3752 58.9687 29.4591 178.6018 49 E 3.7549 7.8566 117.0437 60.0035 29.2724 178.4780 50 Y 4.0420 7.7731 119.9589 60.1197 38.7273 177.0469 51 C 2.7161 7.8281 119.1619 59.5868 43.5587 175.6145 52 M 3.7295 7.7532 118.5866 57.7734 31.4714 178.4396 53 A 3.9589 7.4424 120.7040 55.2042 18.6721 179.5536 54 V 3.4561 6.9104 115.1901 64.1451 31.8483 175.4424 55 C 4.4889 7.2759 114.5351 55.1454 42.6494 173.6106 56 G 3.5306 8.5998 110.3405 47.2439 0.0000 175.8833 57 S 4.0733 9.3745 114.1581 59.0066 60.4133 173.3237 58 A 4.5563 8.2179 124.7838 51.6487 19.2986 176.1780 59 I 3.7776 7.6609 125.7001 61.1871 37.8878 175.2130 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 3 E 8.30 4.33 0.00 2.06 1.18 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 2.27 2.41 0.00 4 V 8.47 3.52 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 0.78 0.00 0.00 1.02 0.00 0.00 5 C 8.05 4.66 0.00 2.86 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 6 S 7.58 4.70 0.00 3.97 3.99 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 0.00 0.00 0.00 7 E 7.70 4.14 0.00 2.06 1.89 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 2.30 2.30 0.00 8 Q 8.37 3.93 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 9 A 7.85 3.08 -0.27 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 0.00 0.00 0.00 10 E 8.06 4.60 0.00 1.95 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 2.18 2.36 0.00 11 T 8.62 4.25 4.57 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 1.34 0.00 0.00 12 G 8.44 4.38 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 0.00 13 P 0.00 4.40 0.00 2.16 2.19 0.00 3.62 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 1.98 2.11 0.00 14 C 7.88 4.61 0.00 2.89 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 15 K 8.22 4.19 0.00 1.66 1.73 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.35 7.81 16 A 7.70 4.41 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.39 4.70 0.00 1.80 1.78 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.94 0.00 18 I 8.75 4.62 1.95 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 1.25 0.86 1.00 0.00 0.00 19 S 8.83 4.55 0.00 3.81 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.51 4.81 0.00 1.24 1.98 0.00 3.15 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.32 0.00 21 W 9.56 5.77 0.00 3.51 3.29 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 0.00 0.00 0.00 22 Y 9.31 5.59 0.00 3.09 2.78 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 23 F 9.82 4.41 0.00 3.06 3.25 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 24 D 7.93 4.58 0.00 2.29 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 25 V 8.57 3.82 2.22 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 0.93 0.00 0.00 0.98 0.00 0.00 26 T 8.06 4.01 4.35 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 1.20 0.00 0.00 27 E 8.48 3.94 0.00 1.79 1.88 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 2.46 2.30 0.00 28 G 7.56 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 29 K 6.50 4.44 0.00 1.63 1.83 0.00 1.27 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.27 7.81 30 C 8.56 5.01 0.00 2.84 3.22 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 31 A 8.72 5.04 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.18 0.00 1.40 0.90 0.00 3.53 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.26 0.00 33 F 8.95 4.70 0.00 2.94 2.93 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 34 F 8.49 5.11 0.00 2.97 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 35 Y 9.19 4.61 0.00 2.51 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 36 G 7.91 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 0.00 0.00 0.00 37 G 7.02 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 38 C 6.60 4.93 0.00 3.07 3.12 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 39 G 9.40 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 40 G 9.69 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 41 N 8.13 4.95 0.00 2.73 2.77 0.00 0.00 5.89 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 42 R 8.33 4.04 0.00 1.76 1.92 0.00 3.24 0.00 0.00 3.14 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 43 N 7.78 4.61 0.00 3.02 2.85 0.00 0.00 6.87 7.37 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 44 N 6.43 4.86 0.00 2.69 2.45 0.00 0.00 7.08 7.02 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 45 F 9.56 5.15 0.00 3.29 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.44 4.48 0.00 2.71 2.78 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 47 T 7.74 4.82 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 1.26 0.00 0.00 48 E 7.52 2.67 0.00 1.16 1.12 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 1.93 1.77 0.00 49 E 7.86 3.75 0.00 2.14 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 0.00 2.30 2.29 0.00 50 Y 7.77 4.04 0.00 3.04 3.03 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 51 C 7.83 2.72 0.00 3.05 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 52 M 7.75 3.73 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 53 A 7.44 3.96 1.21 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 0.00 0.00 54 V 6.91 3.46 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 0.79 0.00 0.00 0.33 0.00 0.00 55 C 7.28 4.49 0.00 2.79 1.97 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.60 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 57 S 9.37 4.07 0.00 4.03 3.37 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 58 A 8.22 4.56 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.66 3.78 1.79 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 1.22 0.80 0.87 0.00 0.00