NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4274 8.1933 116.7919 58.5481 63.2164 172.4612 2 N 4.9941 8.2669 122.6681 49.5441 40.1327 173.2915 3 P 5.5076 0.0000 0.0000 62.6022 32.9285 177.4545 4 K 3.8406 8.2184 120.8959 60.1917 31.7205 177.3542 5 D 4.8946 8.7334 117.9641 54.7790 41.1379 178.6430 6 D 4.2829 8.1999 123.3966 57.3778 40.7104 177.8444 7 Y 4.3965 8.2500 117.8382 60.0564 37.6280 178.5139 8 K 3.5808 6.6281 119.3920 58.6260 31.8445 178.6368 9 I 3.3105 7.3427 119.4044 63.6062 37.4949 177.0743 10 W 5.1250 7.1618 118.2770 57.4238 29.0429 177.3011 11 L 4.4263 7.9702 119.0413 55.5855 41.5540 177.9913 12 V 4.0465 7.4576 117.1169 62.8922 32.9018 175.4270 13 I 4.4958 7.4871 112.3093 58.7172 39.6043 174.0227 14 N 4.9513 8.9852 123.1394 52.0921 39.0524 173.7063 15 P 4.3459 0.0000 0.0000 65.9304 30.8550 178.4100 16 S 4.0886 8.0221 113.8857 60.9519 62.7835 175.7322 17 T 3.9781 7.6576 117.4816 65.5555 69.1554 176.8621 18 W 4.6189 7.8012 119.5458 58.6512 29.2143 178.4384 19 L 3.6752 7.7720 120.9319 57.6320 41.4208 177.2873 20 P 3.8325 0.0000 0.0000 65.1945 31.1736 178.8080 21 V 3.6754 7.6396 117.1418 65.9048 31.7118 177.9608 22 I 3.8565 8.1122 112.7576 63.4168 37.4058 178.3500 23 W 4.5418 7.7903 121.4500 59.6971 28.9930 178.5246 24 I 3.7943 8.1840 119.9116 64.4234 36.6172 178.5499 25 V 3.6459 8.2080 119.0580 66.1517 31.3777 177.9423 26 A 4.1131 8.0809 119.9011 55.4303 18.1426 179.8240 27 T 3.9048 8.0345 114.4609 66.6677 68.4453 177.2178 28 V 3.6087 7.9621 120.2674 65.9026 31.5030 178.1814 29 V 3.5792 7.9592 117.7673 66.0861 31.3788 177.8082 30 A 4.0839 8.1149 120.3963 55.2580 18.1561 179.7648 31 I 3.6945 7.9797 118.1521 64.3701 37.1763 178.4553 32 A 4.0060 8.3371 121.9987 55.2705 18.3804 179.8840 33 V 3.5534 8.2370 117.1500 66.4555 31.5907 177.9448 34 H 4.2540 8.4658 115.8391 58.8127 28.6687 177.6397 35 A 4.0358 8.2469 122.4283 55.0543 17.9968 179.4572 36 A 3.9714 7.9823 118.3003 55.5991 18.8140 180.0661 37 V 3.7571 7.8270 110.4052 64.3436 31.4008 178.8271 38 L 3.9305 8.0342 117.7796 57.0478 41.4744 178.5279 39 A 4.3070 7.6906 118.5456 51.9209 19.1211 176.9222 40 A 4.3593 7.8706 121.6470 51.6628 19.3779 176.4378 41 P 3.4180 0.0000 0.0000 64.3998 32.5032 176.8475 42 G 3.9829 8.5283 110.0538 46.6917 0.0000 173.9080 43 F 4.6233 8.2080 117.1975 57.1290 39.8084 176.6005 44 N 4.4179 7.7599 120.6302 52.4785 38.1388 174.8656 45 W 4.3058 8.6760 126.3512 59.2026 28.2075 178.2558 46 I 3.6074 6.5978 120.1976 64.0754 36.5968 177.9474 47 A 3.9048 7.6195 121.0868 55.0831 18.2794 179.2770 48 L 4.0039 8.0876 117.7544 58.1667 41.5913 180.1891 49 G 3.6073 8.1622 105.1108 47.6237 0.0000 175.7128 50 A 4.0098 8.0193 122.9496 54.7031 18.3782 179.6061 51 A 3.8650 8.2407 119.5464 55.3428 18.3319 179.6396 52 K 3.9341 7.9512 116.7054 59.9748 31.8892 178.7742 53 S 4.2696 7.9692 115.2852 61.4169 62.5459 176.4740 54 A 4.0465 7.8245 122.5205 54.9566 18.1932 179.3012 55 A 4.0843 8.3673 118.7881 54.6127 18.4885 178.2339 56 K 4.2407 7.4473 120.2461 56.8194 32.3651 176.7411 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 S 8.19 4.43 0.00 3.91 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 2 N 8.27 4.99 0.00 2.75 2.88 0.00 0.00 7.12 7.45 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 3 P 0.00 5.51 0.00 2.25 2.28 0.00 3.89 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 2.09 1.92 0.00 4 K 8.22 3.84 0.00 1.77 2.21 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.51 1.53 7.81 5 D 8.73 4.89 0.00 2.65 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.20 4.28 0.00 2.95 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 7 Y 8.25 4.40 0.00 3.37 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 8 K 6.63 3.58 0.00 1.59 1.61 0.00 1.45 0.00 0.00 1.39 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.88 0.40 7.81 9 I 7.34 3.31 1.38 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.73 -0.59 0.00 0.00 10 W 7.16 5.12 0.00 3.43 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 11 L 7.97 4.43 0.00 1.69 1.73 0.94 1.04 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 12 V 7.46 4.05 2.05 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 0.84 0.00 0.00 0.82 0.00 0.00 13 I 7.49 4.50 1.87 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.84 0.66 0.00 0.00 14 N 8.99 4.95 0.00 2.89 2.88 0.00 0.00 6.95 7.75 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 15 P 0.00 4.35 0.00 1.97 1.62 0.00 3.89 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.85 0.00 16 S 8.02 4.09 0.00 3.97 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.66 3.98 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 0.11 0.00 0.00 18 W 7.80 4.62 0.00 3.53 3.26 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 19 L 7.77 3.68 0.00 1.54 1.18 0.68 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 3.83 0.00 2.09 2.06 0.00 3.63 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 1.95 1.83 0.00 21 V 7.64 3.68 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 1.45 0.00 0.00 0.89 0.00 0.00 22 I 8.11 3.86 1.97 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.42 1.07 0.00 0.00 23 W 7.79 4.54 0.00 3.64 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 24 I 8.18 3.79 2.11 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.25 0.98 0.00 0.00 25 V 8.21 3.65 2.17 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 1.06 0.00 0.00 1.05 0.00 0.00 26 A 8.08 4.11 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 27 T 8.03 3.90 4.45 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 1.23 0.00 0.00 28 V 7.96 3.61 2.27 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 1.12 0.00 0.00 1.01 0.00 0.00 29 V 7.96 3.58 2.27 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 1.05 0.00 0.00 1.00 0.00 0.00 30 A 8.11 4.08 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.98 3.69 2.07 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 1.47 0.76 0.94 0.00 0.00 32 A 8.34 4.01 1.39 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 0.00 0.00 33 V 8.24 3.55 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 0.98 0.00 0.00 0.97 0.00 0.00 34 H 8.47 4.25 0.00 3.52 3.59 0.00 5.87 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.25 4.04 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 36 A 7.98 3.97 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 37 V 7.83 3.76 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 0.88 0.00 0.00 1.25 0.00 0.00 38 L 8.03 3.93 0.00 1.72 1.56 0.75 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.69 4.31 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 40 A 7.87 4.36 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 41 P 0.00 3.42 0.00 2.25 1.84 0.00 3.64 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 42 G 8.53 3.98 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 0.00 0.00 0.00 43 F 8.21 4.62 0.00 3.16 3.28 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 44 N 7.76 4.42 0.00 2.81 2.66 0.00 0.00 6.44 7.56 0.00 0.00 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 W 8.68 4.31 0.00 3.67 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 46 I 6.60 3.61 1.50 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 -0.36 0.82 0.00 0.00 47 A 7.62 3.90 1.24 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 0.00 0.00 48 L 8.09 4.00 0.00 1.94 1.78 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.16 3.61 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 50 A 8.02 4.01 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 51 A 8.24 3.87 1.39 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 0.00 0.00 52 K 7.95 3.93 0.00 1.77 2.02 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.50 7.81 53 S 7.97 4.27 0.00 4.02 3.89 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 54 A 7.82 4.05 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 55 A 8.37 4.08 1.33 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 0.00 0.00 56 K 7.45 4.24 0.00 1.97 1.73 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.19 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.66 7.81