NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3073 8.2649 123.5826 51.1934 20.3981 175.7184 3 K 4.0962 8.1570 114.4488 56.8447 37.2618 177.8997 4 H 3.9771 8.2495 115.8321 55.3403 30.8044 176.4922 5 P 4.4896 0.0000 0.0000 63.3750 31.9538 175.7076 6 V 4.4953 7.8707 119.5964 60.2379 34.7948 172.7885 7 P 4.3364 0.0000 0.0000 62.6625 31.5052 176.7749 8 K 4.2148 8.6254 124.2300 58.0778 32.7202 176.8063 9 K 4.5575 7.6415 116.2820 54.0494 36.0049 175.3851 10 K 3.7530 8.8491 123.8693 56.8740 32.2384 176.4847 11 T 3.9830 8.4072 116.8064 61.7108 69.4123 174.7158 12 S 4.5237 8.3267 118.9169 57.5315 65.6832 175.3627 13 K 3.8535 8.5484 121.2763 60.0878 31.6271 178.8360 14 A 4.0346 8.0073 120.7767 54.5090 18.3932 178.9840 15 R 3.8001 8.2092 115.3572 59.7961 30.0913 178.6319 16 R 3.8446 8.7387 118.4520 59.7444 29.8856 178.1283 17 D 4.3599 8.4567 118.7835 57.1408 41.0942 178.8759 18 A 4.0941 8.2869 121.6867 55.3118 18.2782 179.3827 19 R 3.9259 7.6839 115.6673 59.8816 30.3098 178.0545 20 R 4.4790 7.7327 116.0422 57.2748 29.9043 178.4887 21 S 4.1430 8.5504 114.3986 61.0015 63.2038 174.6888 22 H 4.7822 8.0867 116.6501 56.0458 28.5233 175.4687 23 H 4.4125 8.2480 119.2545 57.4192 29.1216 176.2653 24 A 4.0339 8.0147 121.7270 52.3956 18.5453 176.9773 25 L 4.4480 8.2954 122.2898 55.0339 42.0540 175.9983 26 T 4.5816 7.9715 109.7101 58.8956 70.6551 172.8914 27 P 4.3633 0.0000 0.0000 61.9202 31.9001 174.0526 28 P 4.2933 0.0000 0.0000 63.2362 31.9405 175.6949 29 I 4.3888 8.1329 119.4285 60.0927 38.5554 174.9998 30 L 5.3686 8.4747 126.6635 53.0094 44.6277 176.6139 31 V 4.5916 9.2444 115.1775 58.8905 36.1106 173.5033 32 P 5.5498 0.0000 0.0000 62.3497 31.9682 175.9971 33 C 4.5458 8.5042 117.9770 56.8095 30.9287 172.0237 34 P 4.4293 0.0000 0.0000 66.0064 31.5642 177.4489 35 E 3.7926 8.3291 117.8689 58.7172 28.8937 178.9979 36 C 4.5285 8.3744 124.8684 59.0374 33.5271 172.6058 37 K 4.1393 8.4316 119.9679 56.6014 32.1170 176.1959 38 A 4.2121 7.7469 120.1166 53.6524 19.6506 176.0078 39 M 5.1347 8.4604 117.8522 53.6035 34.3305 175.8906 40 K 4.8201 9.1457 122.2220 53.5328 37.0544 173.8705 41 P 5.5123 0.0000 0.0000 61.6851 32.3431 174.0762 42 P 4.2092 0.0000 0.0000 63.9486 32.0245 175.8112 43 H 4.0544 8.5973 117.4811 56.7639 26.5258 175.3116 44 T 4.7039 7.1923 111.0886 60.4402 70.6573 172.9375 45 V 3.6893 7.9953 116.4921 64.2845 32.1802 172.9822 46 C 3.7407 8.1131 126.5015 57.6837 32.3249 170.6780 47 P 4.4767 0.0000 0.0000 62.7145 32.0127 175.5790 48 E 3.6995 8.4606 115.9237 55.4888 27.3331 173.0196 49 C 5.4062 8.2975 129.0269 58.5446 33.9537 175.0731 50 G 3.7418 7.2840 108.0086 46.9500 0.0000 171.4544 51 Y 5.2761 8.2371 119.1844 57.9507 41.4287 173.8039 52 Y 4.2968 6.4678 121.8423 56.1436 39.7338 175.4315 53 A 4.1158 8.5868 122.4351 52.9338 18.8473 177.1786 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 4.31 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 8.16 4.10 0.00 1.76 1.67 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.26 1.56 7.81 4 H 8.25 3.98 0.00 3.22 2.89 0.00 5.72 0.00 0.00 0.00 0.00 6.68 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 4.49 0.00 2.16 2.04 0.00 3.57 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 2.06 0.00 6 V 7.87 4.50 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 0.85 0.00 0.00 0.94 0.00 0.00 7 P 0.00 4.34 0.00 2.08 1.99 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 2.07 0.00 8 K 8.63 4.21 0.00 1.69 1.83 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.52 7.81 9 K 7.64 4.56 0.00 1.73 1.63 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.37 7.81 10 K 8.85 3.75 0.00 1.71 1.77 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.46 7.81 11 T 8.41 3.98 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 8.33 4.52 0.00 4.07 4.03 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 13 K 8.55 3.85 0.00 1.82 1.91 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.52 7.81 14 A 8.01 4.03 1.29 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 15 R 8.21 3.80 0.00 1.93 1.97 0.00 3.11 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 1.64 1.67 0.00 16 R 8.74 3.84 0.00 1.87 2.13 0.00 3.15 0.00 0.00 3.16 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 17 D 8.46 4.36 0.00 2.71 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 8.29 4.09 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 19 R 7.68 3.93 0.00 1.87 2.23 0.00 3.30 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 20 R 7.73 4.48 0.00 2.03 1.95 0.00 3.24 0.00 0.00 2.98 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.80 0.00 21 S 8.55 4.14 0.00 3.85 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 22 H 8.09 4.78 0.00 3.07 3.33 0.00 5.88 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.25 4.41 0.00 3.39 3.36 0.00 5.68 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 8.01 4.03 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 25 L 8.30 4.45 0.00 1.75 1.68 0.93 0.62 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 26 T 7.97 4.58 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 27 P 0.00 4.36 0.00 2.20 2.10 0.00 3.78 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 28 P 0.00 4.29 0.00 2.05 2.06 0.00 3.64 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 2.03 2.12 0.00 29 I 8.13 4.39 1.87 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 1.34 0.98 0.91 0.00 0.00 30 L 8.47 5.37 0.00 1.49 1.54 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 31 V 9.24 4.59 2.07 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 0.70 0.00 0.00 0.92 0.00 0.00 32 P 0.00 5.55 0.00 1.94 1.98 0.00 3.72 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.92 0.00 33 C 8.50 4.55 0.00 2.99 2.91 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 34 P 0.00 4.43 0.00 2.34 2.36 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 35 E 8.33 3.79 0.00 2.09 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 36 C 8.37 4.53 0.00 2.94 2.87 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 37 K 8.43 4.14 0.00 1.76 1.80 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.44 7.81 38 A 7.75 4.21 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 8.46 5.13 0.00 1.87 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 2.49 2.47 0.00 40 K 9.15 4.82 0.00 1.54 1.57 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.32 7.81 41 P 0.00 5.51 0.00 2.09 2.17 0.00 3.84 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.82 0.00 42 P 0.00 4.21 0.00 2.01 1.95 0.00 3.77 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 43 H 8.60 4.05 0.00 3.29 3.38 0.00 5.67 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.19 4.70 4.17 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 0.00 0.00 0.00 1.20 0.00 0.00 45 V 8.00 3.69 1.99 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 0.75 0.00 0.00 0.77 0.00 0.00 46 C 8.11 3.74 0.00 3.10 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 47 P 0.00 4.48 0.00 2.21 2.06 0.00 3.94 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 48 E 8.46 3.70 0.00 2.00 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 2.21 2.34 0.00 49 C 8.30 5.41 0.00 3.11 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 50 G 7.28 3.74 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 0.00 0.00 0.00 51 Y 8.24 5.28 0.00 2.64 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 6.47 4.30 0.00 2.82 2.75 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 0.00 0.00 0.00 0.00 53 A 8.59 4.12 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