NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2816 8.2649 123.5815 51.5490 20.8709 176.5173 3 K 4.2929 7.6560 114.6917 54.8822 34.6027 173.6389 4 H 4.0662 8.7673 116.6343 59.1850 29.4069 173.4155 5 P 4.3331 0.0000 0.0000 63.0578 30.0385 175.2026 6 V 4.4071 7.8573 122.7564 60.2032 34.4634 173.4191 7 P 4.3729 0.0000 0.0000 62.7659 31.9805 176.3290 8 K 4.1387 8.7062 123.6638 58.5361 32.5804 176.9851 9 K 4.5831 7.5001 114.9823 53.7221 35.5803 175.9566 10 K 3.8994 8.5774 122.3281 56.4460 31.4643 176.3283 11 T 3.7925 8.5682 117.2474 61.8523 68.6315 174.4766 12 S 4.0870 8.8513 121.3252 58.7474 64.0924 175.4259 13 K 3.9369 8.9002 124.3498 59.8132 32.0582 179.1528 14 A 4.0526 7.8648 121.9847 55.1624 18.5227 179.3739 15 R 3.8505 7.6730 116.1219 59.6311 30.2483 177.9536 16 R 3.8126 8.0456 118.1963 60.0481 29.6936 177.7360 17 D 4.3711 7.7739 116.8635 57.4869 41.1118 178.5431 18 A 4.1288 7.5323 119.2406 55.2927 18.5561 179.0847 19 R 4.0834 8.4188 117.3087 59.8222 30.1431 179.0814 20 R 4.5710 7.7767 115.3587 56.7949 29.7361 178.6567 21 S 4.0648 8.3146 114.5060 62.1291 62.1075 174.8270 22 H 4.5308 7.7573 116.2996 56.7273 28.7542 176.1328 23 H 4.2026 7.8889 119.8493 58.4363 29.9154 175.6297 24 A 4.1172 7.1618 121.3436 52.2786 18.6446 177.3940 25 L 4.4181 8.0938 120.0364 54.2089 43.3717 176.4593 26 T 4.5081 8.0724 109.2807 59.5674 70.6675 171.7961 27 P 4.2040 0.0000 0.0000 62.1158 31.4128 174.1731 28 P 4.4440 0.0000 0.0000 63.1172 32.1535 174.9785 29 I 4.5838 8.1136 118.3503 59.5763 39.4906 175.0993 30 L 5.2142 8.4714 125.4349 53.3100 46.0963 176.0412 31 V 4.6195 8.6754 113.2728 58.9292 36.3887 173.3468 32 P 4.7789 0.0000 0.0000 63.0997 31.7109 175.3879 33 C 5.0327 8.1620 116.0826 55.5847 32.3145 173.1858 34 P 4.4285 0.0000 0.0000 65.9171 32.4841 177.4646 35 E 3.9007 8.0917 114.6233 57.9375 27.7249 178.8182 36 C 4.4427 8.9832 128.7737 59.4128 34.0777 171.2483 37 K 4.2096 8.4544 118.3980 56.6447 32.5050 176.9748 38 A 4.0469 7.8034 120.2020 53.7114 19.5763 176.7800 39 M 4.7095 8.4921 120.0722 53.9371 32.3885 176.0535 40 K 4.4154 8.5448 123.9483 54.7676 33.8466 175.1624 41 P 4.7959 0.0000 0.0000 61.6087 31.8743 174.4439 42 P 4.0987 0.0000 0.0000 64.7501 32.2566 175.9381 43 H 4.0341 8.5445 117.6333 56.3232 25.8590 174.3493 44 T 4.3921 6.9045 112.1931 62.5002 73.0058 175.8591 45 V 3.4260 7.6264 124.1381 64.2575 33.4623 174.4405 46 C 4.6458 7.9284 113.4925 57.9846 32.6810 172.5389 47 P 4.4533 0.0000 0.0000 63.9505 31.3883 175.5651 48 E 3.9759 8.8328 118.7373 57.3411 28.0843 174.6387 49 C 4.6887 7.8908 111.5134 61.0810 33.9946 175.0657 50 G 3.9039 9.1700 104.9869 45.9287 0.0000 170.0509 51 Y 4.9193 7.8605 118.6060 58.1304 41.8949 173.4066 52 Y 4.6257 6.6213 114.7253 56.5528 40.9847 174.4700 53 A 4.0490 8.6915 123.8006 52.9055 18.7465 177.2961 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 A 8.26 4.28 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.66 4.29 0.00 1.83 1.82 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.56 7.81 4 H 8.77 4.07 0.00 3.10 3.43 0.00 5.90 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.33 0.00 2.18 2.14 0.00 3.66 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 6 V 7.86 4.41 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 0.86 0.00 0.00 0.99 0.00 0.00 7 P 0.00 4.37 0.00 2.08 1.97 0.00 3.72 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 8 K 8.71 4.14 0.00 1.69 1.82 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.52 7.81 9 K 7.50 4.58 0.00 1.73 1.65 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.32 7.81 10 K 8.58 3.90 0.00 1.71 1.77 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.43 7.81 11 T 8.57 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 12 S 8.85 4.09 0.00 4.06 4.08 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 13 K 8.90 3.94 0.00 2.00 2.13 0.00 1.50 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.52 7.81 14 A 7.86 4.05 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 15 R 7.67 3.85 0.00 1.94 2.07 0.00 3.13 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 16 R 8.05 3.81 0.00 1.93 2.07 0.00 3.17 0.00 0.00 3.17 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 17 D 7.77 4.37 0.00 2.73 2.73 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 18 A 7.53 4.13 1.34 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 0.00 0.00 19 R 8.42 4.08 0.00 1.85 2.26 0.00 3.12 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 20 R 7.78 4.57 0.00 2.07 1.96 0.00 3.30 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 21 S 8.31 4.06 0.00 3.98 3.67 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 22 H 7.76 4.53 0.00 3.15 3.34 0.00 5.95 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 7.89 4.20 0.00 3.14 3.36 0.00 5.77 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.16 4.12 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 25 L 8.09 4.42 0.00 1.66 1.66 0.93 0.80 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 26 T 8.07 4.51 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 27 P 0.00 4.20 0.00 2.20 2.13 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 28 P 0.00 4.44 0.00 2.19 2.12 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 29 I 8.11 4.58 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 1.35 1.53 0.92 0.00 0.00 30 L 8.47 5.21 0.00 1.46 1.50 0.92 0.95 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 31 V 8.68 4.62 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 0.86 0.00 0.00 0.95 0.00 0.00 32 P 0.00 4.78 0.00 1.95 2.00 0.00 3.63 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 33 C 8.16 5.03 0.00 3.16 3.02 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 34 P 0.00 4.43 0.00 2.32 2.34 0.00 3.87 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 35 E 8.09 3.90 0.00 2.08 1.79 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 2.71 2.37 0.00 36 C 8.98 4.44 0.00 2.95 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 37 K 8.45 4.21 0.00 1.76 1.80 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.43 7.81 38 A 7.80 4.05 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 39 M 8.49 4.71 0.00 1.91 2.06 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 40 K 8.54 4.42 0.00 1.73 1.66 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.38 7.81 41 P 0.00 4.80 0.00 2.05 2.04 0.00 3.36 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.81 0.00 42 P 0.00 4.10 0.00 2.14 2.08 0.00 3.82 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 43 H 8.54 4.03 0.00 3.26 3.33 0.00 5.74 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 44 T 6.90 4.39 4.31 0.00 0.00 0.00 0.00 0.00 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 45 V 7.63 3.43 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 0.63 0.00 0.00 0.58 0.00 0.00 46 C 7.93 4.65 0.00 2.87 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.45 0.00 2.25 2.15 0.00 3.87 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 2.06 1.94 0.00 48 E 8.83 3.98 0.00 2.08 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 0.00 2.20 2.38 0.00 49 C 7.89 4.69 0.00 3.16 2.90 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 50 G 9.17 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 0.00 0.00 0.00 51 Y 7.86 4.92 0.00 2.67 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 6.62 4.63 0.00 2.90 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.69 4.05 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