NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.7459 8.4449 116.3065 54.6470 30.6022 173.3727 3 L 3.8800 7.6643 120.9011 54.9655 41.9402 175.0622 4 M 4.5955 8.0091 121.2437 54.7309 33.4126 174.9188 5 Y 4.8676 6.9178 113.8023 56.2862 40.6395 173.5182 6 T 4.3616 8.6988 113.1874 60.9664 70.7422 174.1982 7 L 4.9350 8.4763 124.2922 54.1596 43.4905 176.3514 8 G 4.2228 8.5296 108.8111 44.2620 0.0000 172.6584 9 P 4.5599 0.0000 0.0000 64.4109 31.5048 176.3345 10 D 4.6411 7.8431 116.9606 53.7557 42.6648 176.1653 11 G 4.1545 7.3722 106.3344 45.0811 0.0000 173.2016 12 K 4.3253 8.1527 121.9904 55.5693 33.3754 176.4357 13 R 4.7278 8.6391 126.3668 56.4964 31.3932 176.5436 14 I 4.5087 8.7661 122.9965 60.0031 41.1286 173.9964 15 Y 4.5675 9.2341 126.1131 57.9129 37.1597 177.0491 16 T 4.7890 7.7786 118.7597 59.9827 69.1669 174.8952 17 L 4.0271 8.3504 123.1639 58.2525 42.1176 179.4010 18 K 3.9245 8.1750 114.1276 57.0890 29.7797 177.0299 19 K 4.0595 8.4187 118.7785 59.4314 32.2551 178.1786 20 V 3.9333 7.4760 116.7236 62.0850 31.6299 175.0501 21 T 3.7922 7.9840 122.7218 65.2971 68.8929 173.4576 22 E 4.6986 7.7092 121.6963 55.2240 32.1453 176.5979 23 S 4.6808 8.2467 115.6343 56.0501 63.3730 173.2906 24 G 4.1541 7.5873 109.3110 43.6657 0.0000 169.9147 25 E 4.0882 8.6050 122.9670 55.1375 29.9262 176.5193 26 I 3.8875 8.2862 128.3616 61.1192 37.5707 176.2699 27 T 4.1212 8.2718 115.9419 61.0546 69.4638 174.3767 28 K 4.1180 8.4303 123.1788 56.4934 32.6721 177.3851 29 S 4.4360 8.4972 117.6445 57.3158 64.9998 172.9285 30 A 3.7383 8.4306 119.9582 53.5630 15.5122 177.0866 31 H 4.3453 8.0399 116.6397 55.2799 29.7650 174.6341 32 P 4.3654 0.0000 0.0000 62.9051 30.4087 175.9387 33 A 4.4686 8.2634 126.5711 50.5493 19.9570 176.7964 34 R 3.9889 8.4994 119.9769 56.9834 30.4744 176.1444 35 F 4.3952 8.8152 123.5090 57.1388 39.7758 176.5308 36 S 4.4290 7.7464 117.4476 57.2043 63.5619 173.0963 37 P 4.2357 0.0000 0.0000 64.7353 31.7042 176.1303 38 D 4.8941 7.5551 116.2986 52.2859 44.6476 174.8727 39 D 4.5169 8.5798 118.6060 56.1851 41.1732 178.9203 40 K 4.1892 8.3002 117.2814 58.6930 32.8400 177.3517 41 Y 4.3075 7.7211 118.1904 59.8498 38.1458 177.5209 42 S 3.6554 7.0945 116.4175 57.4173 63.7066 175.4999 43 R 3.9968 8.3661 121.8012 58.9830 29.0345 178.7733 44 Q 3.8795 7.7998 119.5279 59.1059 29.2202 177.5843 45 R 3.9615 7.2830 117.3827 59.3065 30.0815 178.3822 46 V 3.7355 7.4710 116.9925 64.9179 32.0732 176.7683 47 T 3.8474 7.3126 114.7850 63.4098 68.6800 174.0422 48 L 4.1050 8.4070 125.9659 54.0119 42.2113 176.7494 49 K 3.7757 8.4802 118.6383 57.8605 32.1850 176.5708 50 K 3.7659 8.3404 125.1499 55.7508 32.3846 176.7821 51 R 3.9985 7.5463 115.3225 55.1632 30.6653 175.8932 52 F 4.0174 7.5748 115.7355 58.5323 36.9361 176.3894 53 G 3.9196 7.8581 106.9148 44.5974 0.0000 173.2492 54 L 4.4175 7.3738 118.6273 54.4331 43.5878 178.2541 55 V 4.4382 7.7229 118.2472 60.4496 31.1905 172.7597 56 P 4.5234 0.0000 0.0000 61.9876 33.3024 177.7191 57 G 4.1435 7.6084 110.4720 46.7178 0.0000 172.9882 58 Q 4.1439 8.8867 123.5419 56.1067 28.8056 175.6819 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 2 H 8.44 4.75 0.00 3.20 3.49 0.00 5.69 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 3 L 7.66 3.88 0.00 1.45 0.98 0.72 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 4 M 8.01 4.60 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 5 Y 6.92 4.87 0.00 2.81 2.33 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 6 T 8.70 4.36 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 1.19 0.00 0.00 7 L 8.48 4.93 0.00 1.55 1.66 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.53 4.22 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 0.00 0.00 0.00 9 P 0.00 4.56 0.00 2.20 2.20 0.00 3.75 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 10 D 7.84 4.64 0.00 2.62 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 11 G 7.37 4.15 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 0.00 0.00 0.00 12 K 8.15 4.33 0.00 1.93 1.72 0.00 1.63 0.00 0.00 1.84 0.00 0.00 3.07 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.52 1.56 7.81 13 R 8.64 4.73 0.00 1.73 1.73 0.00 3.10 0.00 0.00 2.73 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.70 0.00 14 I 8.77 4.51 2.11 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.91 0.99 0.00 0.00 15 Y 9.23 4.57 0.00 2.79 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 16 T 7.78 4.79 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 1.27 0.00 0.00 17 L 8.35 4.03 0.00 1.70 1.82 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.17 3.92 0.00 1.89 1.88 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.46 7.81 19 K 8.42 4.06 0.00 1.76 1.89 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.45 7.81 20 V 7.48 3.93 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 0.80 0.00 0.00 0.94 0.00 0.00 21 T 7.98 3.79 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 22 E 7.71 4.70 0.00 2.07 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 2.20 2.31 0.00 23 S 8.25 4.68 0.00 3.83 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 24 G 7.59 4.15 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 0.00 0.00 0.00 25 E 8.61 4.09 0.00 1.95 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 2.29 2.33 0.00 26 I 8.29 3.89 1.88 0.00 0.00 0.86 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 0.65 0.91 0.00 0.00 27 T 8.27 4.12 4.21 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 1.20 0.00 0.00 28 K 8.43 4.12 0.00 1.85 1.85 0.00 1.64 0.00 0.00 1.79 0.00 0.00 3.15 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.51 7.81 29 S 8.50 4.44 0.00 3.98 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 30 A 8.43 3.74 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 31 H 8.04 4.35 0.00 3.14 3.28 0.00 5.73 0.00 0.00 0.00 0.00 6.71 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 4.37 0.00 2.22 2.14 0.00 3.65 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 33 A 8.26 4.47 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 34 R 8.50 3.99 0.00 1.83 1.89 0.00 3.27 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 35 F 8.82 4.40 0.00 2.97 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 36 S 7.75 4.43 0.00 3.27 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 4.24 0.00 2.18 2.07 0.00 3.75 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.93 0.00 38 D 7.56 4.89 0.00 2.73 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.58 4.52 0.00 2.82 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.30 4.19 0.00 1.87 1.99 0.00 1.53 0.00 0.00 1.79 0.00 0.00 3.20 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.58 7.81 41 Y 7.72 4.31 0.00 3.12 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 42 S 7.09 3.66 0.00 3.68 3.34 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 0.00 43 R 8.37 4.00 0.00 2.01 2.18 0.00 2.93 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 44 Q 7.80 3.88 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 7.07 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 45 R 7.28 3.96 0.00 1.85 2.06 0.00 3.35 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 46 V 7.47 3.74 2.20 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 0.88 0.00 0.00 0.98 0.00 0.00 47 T 7.31 3.85 4.21 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 1.21 0.00 0.00 48 L 8.41 4.10 0.00 1.65 1.67 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.48 3.78 0.00 1.77 1.81 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.44 7.81 50 K 8.34 3.77 0.00 1.55 1.58 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.08 1.20 7.81 51 R 7.55 4.00 0.00 1.87 1.91 0.00 3.19 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 1.41 1.62 0.00 52 F 7.57 4.02 0.00 3.22 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 53 G 7.86 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 54 L 7.37 4.42 0.00 1.69 1.64 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 55 V 7.72 4.44 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 0.95 0.00 0.00 0.94 0.00 0.00 56 P 0.00 4.52 0.00 2.22 2.03 0.00 3.92 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 57 G 7.61 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 8.89 4.14 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00