NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.7260 8.4549 120.6371 56.8239 44.4544 172.2883 2 S 4.4225 8.7037 122.5173 59.4830 64.0634 172.8222 3 N 4.9892 7.6590 114.6852 53.7878 43.3408 174.2531 4 L 4.6859 7.6233 114.6285 56.0490 47.1106 177.3512 5 S 4.1043 7.9756 114.7402 61.6294 62.9273 176.4097 6 T 3.8793 7.8362 119.7730 65.7151 68.2325 177.3676 7 C 4.2658 8.0508 118.0514 59.9930 41.5954 176.0787 8 V 3.5372 7.8231 119.6481 66.0015 31.1455 177.8932 9 L 4.0742 8.0911 118.9054 57.8297 41.4357 179.8152 10 G 3.5951 8.2884 105.6549 47.5636 0.0000 175.5888 11 K 3.9237 8.1515 122.2152 59.2720 32.2201 178.8640 12 L 3.9638 8.0237 119.2396 57.8280 41.4937 179.4592 13 S 4.0645 8.2272 113.1248 61.4783 62.2497 176.0539 14 Q 3.9761 8.3039 122.3571 58.9536 28.8984 177.7104 15 E 3.8772 8.3576 120.4826 59.1618 29.6617 178.4232 16 L 3.9142 8.0479 120.4511 58.5553 41.9243 178.4047 17 H 4.1441 8.1809 116.7900 59.0927 29.8497 176.6599 18 K 4.0142 8.0766 120.5991 60.0257 32.0806 178.2092 19 L 4.1188 7.8060 118.2580 56.0415 41.5688 177.9445 20 Q 3.4645 8.5921 117.1232 56.6817 30.2790 174.5005 21 T 4.2437 7.8291 114.0918 64.2603 70.6668 174.2982 22 Y 3.6262 8.0242 119.9079 56.9929 37.2911 168.8753 23 P 4.4053 0.0000 0.0000 62.2394 31.1966 178.1641 24 R 3.1347 8.0371 119.1129 57.7778 27.5733 174.3257 25 T 3.1554 5.7900 117.4015 63.3876 69.5448 173.5032 26 D 4.5972 8.1182 126.4780 53.4878 39.6490 177.2120 27 V 3.4561 7.4842 122.5977 65.9832 31.9113 176.0283 28 G 3.9522 7.7818 111.2514 45.7291 0.0000 173.8913 29 A 4.3325 7.3661 125.1093 50.2463 17.4897 177.3954 30 G 3.7032 7.7747 113.7953 47.7507 0.0000 173.4614 31 T 4.5403 7.2947 118.7435 60.0455 69.0419 172.3724 32 P 4.4112 0.0000 0.0000 62.7427 31.4645 177.3018 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 C 8.45 4.73 0.00 2.95 3.08 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 0.00 0.00 0.00 0.00 2 S 8.70 4.42 0.00 3.96 3.87 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 3 N 7.66 4.99 0.00 2.64 2.76 0.00 0.00 6.68 7.85 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 4 L 7.62 4.69 0.00 1.77 1.83 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 5 S 7.98 4.10 0.00 4.07 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 6 T 7.84 3.88 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 1.23 0.00 0.00 7 C 8.05 4.27 0.00 3.11 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 8 V 7.82 3.54 2.14 0.00 0.00 0.00 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 0.96 0.00 0.00 9 L 8.09 4.07 0.00 1.73 1.71 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 10 G 8.29 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.15 3.92 0.00 1.93 1.98 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.48 7.81 12 L 8.02 3.96 0.00 1.86 1.69 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.23 4.06 0.00 3.96 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 14 Q 8.30 3.98 0.00 2.28 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.62 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 15 E 8.36 3.88 0.00 2.18 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 0.00 2.28 2.44 0.00 16 L 8.05 3.91 0.00 1.84 1.83 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.18 4.14 0.00 3.22 3.55 0.00 6.01 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.08 4.01 0.00 1.88 2.02 0.00 1.92 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.65 7.81 19 L 7.81 4.12 0.00 1.83 1.61 0.80 0.33 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 Q 8.59 3.46 0.00 2.29 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.66 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 21 T 7.83 4.24 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 22 Y 8.02 3.63 0.00 3.20 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 23 P 0.00 4.41 0.00 2.14 2.03 0.00 3.89 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 2.02 1.92 0.00 24 R 8.04 3.13 0.00 1.80 1.86 0.00 3.46 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 25 T 5.79 3.16 4.07 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 1.20 0.00 0.00 26 D 8.12 4.60 0.00 2.79 2.61 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 27 V 7.48 3.46 2.03 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 0.67 0.00 0.00 0.93 0.00 0.00 28 G 7.78 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.37 4.33 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 30 G 7.77 3.70 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 0.00 0.00 0.00 31 T 7.29 4.54 4.23 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 1.20 0.00 0.00 32 P 0.00 4.41 0.00 2.17 2.02 0.00 3.79 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00