NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2978 8.2893 120.3315 56.0607 32.5116 175.4674 2 Q 3.3371 7.9942 121.4964 53.9642 29.4123 172.1576 3 R 4.1768 7.5550 110.1086 54.3969 32.1253 175.4899 4 G 3.9581 8.4174 109.9681 44.7727 0.0000 171.8627 5 N 4.7847 8.1546 114.0020 53.1580 35.9806 174.4671 6 F 4.7126 6.4725 110.7334 57.0218 40.6545 172.1821 7 R 4.4784 8.4872 127.3413 57.1254 33.2856 174.4758 8 N 4.5560 8.2851 115.5858 53.3558 34.3834 173.8877 9 Q 3.9897 7.7074 126.8145 53.7296 29.6583 176.3514 10 R 3.7114 8.0689 118.8298 52.4627 29.4903 174.3734 11 K 3.6692 8.0521 134.9507 56.9945 30.4209 175.3430 12 I 4.3441 7.8627 129.9081 60.5481 38.9478 176.3244 13 I 4.0334 7.4139 111.0685 57.7790 36.7160 177.0727 14 K 4.1839 6.9389 113.9286 56.8085 34.1175 174.6343 15 C 4.2069 7.9931 126.1353 59.1716 31.9743 174.7922 16 F 4.0216 8.8227 125.1169 59.6990 39.0223 175.7128 17 N 4.7516 8.2476 117.7856 55.2854 39.6808 175.4359 18 C 4.2939 8.0622 110.9115 58.5416 30.6506 173.4148 19 G 4.0671 8.0687 107.4464 45.3753 0.0000 174.3257 20 K 4.1692 7.7579 118.0744 56.1054 32.7991 175.5768 21 E 4.7407 9.3508 119.0739 55.2394 31.4894 174.6357 22 G 3.5181 7.9691 112.7593 45.4800 0.0000 173.3393 23 H 4.9958 7.4837 114.1542 53.3703 31.8461 172.5855 24 I 4.2931 7.9684 113.1897 59.4478 39.5501 176.4068 25 A 4.2959 8.3936 122.7919 54.2987 18.7859 180.0376 26 K 4.0809 8.2339 114.6848 58.8966 32.2628 177.1581 27 N 4.9093 7.8555 116.1399 52.9791 38.9863 175.1750 28 C 4.3426 7.7227 120.0731 58.2759 31.1891 173.6586 29 R 4.3394 7.8994 129.8203 54.0090 28.4623 176.5762 30 A 4.0963 7.6060 121.7875 51.1241 19.5580 176.1295 31 P 4.2161 0.0000 0.0000 62.7828 31.8017 175.9494 32 R 4.2894 8.4466 123.2078 55.0699 30.0190 176.6092 33 K 4.3551 8.3606 126.7337 55.0618 30.5836 175.1509 34 R 4.6785 7.8673 119.2469 54.4039 35.6417 174.8989 35 G 3.7126 9.2674 113.3271 46.4306 0.0000 174.8165 36 C 3.9869 6.1177 128.2382 57.4240 32.2904 173.0288 37 W 4.4423 7.4092 124.9620 58.4560 28.5884 177.6326 38 K 4.3339 7.5333 119.7002 58.5726 31.9689 176.5325 39 C 4.5730 9.5900 111.4110 60.0060 31.0417 173.7475 40 G 3.6294 7.2157 113.7935 45.0946 0.0000 173.6025 41 K 4.3184 7.6536 120.5672 56.4866 32.7527 176.2115 42 E 4.8693 8.3290 117.5510 56.3044 30.3699 177.8232 43 G 3.7935 8.1432 109.6014 47.4709 0.0000 173.4908 44 H 4.7796 7.3184 112.8555 54.5890 31.4682 171.7521 45 Q 4.4489 8.1602 118.4103 54.0403 32.0942 175.5354 46 M 3.7149 8.1123 121.9736 58.2819 32.3433 178.1970 47 K 3.9385 7.6423 117.5289 58.1524 32.4407 176.4126 48 D 4.6052 7.7735 116.4833 54.9359 42.8211 175.2445 49 C 4.1517 8.0523 119.4195 59.7578 30.8082 172.6274 50 T 4.4703 7.8704 118.4084 60.8349 68.7463 174.2093 51 E 3.6922 7.9778 121.3987 56.1034 29.6312 173.9268 52 R 4.4494 7.7138 111.3440 56.2649 31.9051 175.6818 53 Q 4.3299 8.7876 116.6090 56.1479 29.3522 175.8317 54 A 3.6401 8.0407 122.7069 52.5237 17.4416 177.8481 55 N 4.4758 8.6854 112.6952 54.2511 39.0175 175.8137 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 M 8.29 4.30 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.55 0.00 2 Q 7.99 3.34 0.00 2.38 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.72 0.00 0.00 0.00 0.00 0.00 2.25 2.43 0.00 3 R 7.56 4.18 0.00 1.69 1.85 0.00 2.99 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.44 0.00 4 G 8.42 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.15 4.78 0.00 2.95 3.09 0.00 0.00 6.79 7.47 0.00 0.00 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 F 6.47 4.71 0.00 3.12 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.49 4.48 0.00 1.64 1.89 0.00 3.22 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.46 0.00 8 N 8.29 4.56 0.00 2.90 2.89 0.00 0.00 5.98 7.42 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 9 Q 7.71 3.99 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.31 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 10 R 8.07 3.71 0.00 2.03 1.88 0.00 3.44 0.00 0.00 3.19 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 11 K 8.05 3.67 0.00 1.86 1.83 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.46 7.81 12 I 7.86 4.34 1.90 0.00 0.00 0.96 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 0.87 0.92 0.00 0.00 13 I 7.41 4.03 1.84 0.00 0.00 0.83 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 0.56 0.89 0.00 0.00 14 K 6.94 4.18 0.00 1.65 1.73 0.00 1.08 0.00 0.00 1.40 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.02 1.14 7.81 15 C 7.99 4.21 0.00 2.96 2.85 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 0.00 0.00 0.00 0.00 16 F 8.82 4.02 0.00 3.14 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.25 4.75 0.00 2.74 2.89 0.00 0.00 7.02 7.68 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 18 C 8.06 4.29 0.00 3.15 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 19 G 8.07 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 0.00 0.00 0.00 0.00 20 K 7.76 4.17 0.00 1.85 1.75 0.00 1.67 0.00 0.00 1.89 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.43 7.81 21 E 9.35 4.74 0.00 2.01 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 2.17 2.20 0.00 22 G 7.97 3.52 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 0.00 0.00 0.00 23 H 7.48 5.00 0.00 3.24 3.27 0.00 5.52 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.97 4.29 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.74 0.94 0.00 0.00 25 A 8.39 4.30 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.23 4.08 0.00 1.79 1.92 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.49 7.81 27 N 7.86 4.91 0.00 2.73 2.81 0.00 0.00 6.88 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 C 7.72 4.34 0.00 3.09 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.90 4.34 0.00 1.82 1.87 0.00 3.44 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 30 A 7.61 4.10 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 31 P 0.00 4.22 0.00 2.20 2.09 0.00 3.78 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 2.00 1.97 0.00 32 R 8.45 4.29 0.00 1.79 1.93 0.00 3.28 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 33 K 8.36 4.36 0.00 1.79 1.78 0.00 1.89 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.53 7.81 34 R 7.87 4.68 0.00 2.00 1.95 0.00 3.32 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 35 G 9.27 3.71 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 0.00 0.00 0.00 36 C 6.12 3.99 0.00 2.69 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 37 W 7.41 4.44 0.00 3.55 3.21 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 0.00 38 K 7.53 4.33 0.00 1.22 1.75 0.00 1.80 0.00 0.00 1.90 0.00 0.00 3.12 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.60 1.34 7.81 39 C 9.59 4.57 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 40 G 7.22 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.65 4.32 0.00 1.80 1.76 0.00 1.50 0.00 0.00 1.82 0.00 0.00 3.25 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.51 7.81 42 E 8.33 4.87 0.00 1.86 1.87 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 2.19 2.31 0.00 43 G 8.14 3.79 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 0.00 0.00 0.00 44 H 7.32 4.78 0.00 3.17 3.24 0.00 5.47 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.16 4.45 0.00 1.96 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.36 6.94 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 46 M 8.11 3.71 0.00 1.63 1.01 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.00 0.00 47 K 7.64 3.94 0.00 1.81 1.86 0.00 1.70 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.41 7.81 48 D 7.77 4.61 0.00 2.58 2.70 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 49 C 8.05 4.15 0.00 3.08 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 50 T 7.87 4.47 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 1.19 0.00 0.00 51 E 7.98 3.69 0.00 2.06 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 52 R 7.71 4.45 0.00 1.87 1.79 0.00 3.09 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.45 0.00 53 Q 8.79 4.33 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.10 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 54 A 8.04 3.64 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 55 N 8.69 4.48 0.00 2.69 2.71 0.00 0.00 6.67 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