NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2889 8.2393 119.7023 56.3810 32.0435 176.3583 2 Q 4.1667 7.9532 116.0930 54.5435 27.5174 173.5178 3 I 4.2404 8.2038 122.0795 62.2890 39.1621 178.3670 4 K 4.5707 7.6511 119.6446 56.3869 32.0768 177.7878 5 I 3.5571 7.1834 119.5052 62.0302 37.8573 176.2097 6 W 5.1378 7.7017 118.0707 58.5106 31.3870 177.1217 7 F 4.4280 8.0429 112.4340 59.0136 38.2952 175.3176 8 Q 4.5800 7.6880 121.5636 55.8815 29.3977 174.9015 9 N 4.8426 7.6929 115.1656 51.5614 39.2661 172.8148 10 R 4.3939 7.7293 121.9683 56.8060 34.7183 177.3936 11 R 2.8231 7.4060 118.3921 58.4740 30.2219 177.0822 12 M 4.1454 7.2532 115.1509 55.5219 32.0984 177.0845 13 K 4.0105 6.6230 120.1597 58.5636 32.4527 178.2164 14 W 4.4599 6.6873 111.9884 57.1133 29.2083 176.8603 15 K 3.7075 7.0177 114.7690 56.5082 28.5767 174.7499 16 K 4.8793 7.2633 116.1965 55.4938 34.7119 176.6294 17 R 4.8228 7.8377 117.1485 56.8940 36.9461 177.6529 18 V 3.5260 7.7430 117.7581 65.2561 30.6404 178.1577 19 F 3.8660 7.1410 116.2986 59.8006 38.9464 176.9318 20 N 4.5175 9.0794 118.1931 56.7977 38.7067 176.7417 21 D 4.2539 7.9852 118.1240 57.3027 41.1660 178.2543 22 A 4.0976 8.8604 120.9421 54.1330 19.3249 178.3169 23 R 4.4178 7.4817 118.9425 56.3440 27.9494 174.7420 24 D 4.6729 7.7767 117.8534 54.8904 45.8342 176.4853 25 I 4.6864 7.4860 121.0898 62.5324 41.9328 178.5879 26 I 4.4088 7.7709 118.8073 61.0692 38.2633 174.2334 27 Q 3.5558 8.5040 117.9348 56.3768 27.0548 173.3270 28 R 4.3216 7.7161 118.5778 55.7647 37.7400 175.1759 29 M 4.3775 8.7657 121.6387 57.9313 31.9099 178.0932 30 H 4.3803 7.9824 114.3181 58.1849 29.2741 175.7693 31 L 4.3729 8.5668 119.8980 56.4687 43.3836 176.6509 32 R 4.7475 8.1560 124.2643 57.0688 31.7629 176.7837 33 Q 4.1489 8.4925 115.9079 58.0375 27.6707 176.8447 34 Y 4.2666 7.7920 116.4553 58.4055 38.6027 175.2753 35 E 3.9105 7.4983 122.2113 56.6320 30.4020 174.9880 36 L 4.2827 8.5562 124.5246 55.8366 39.9678 174.4049 37 L 4.1339 6.9920 122.5218 55.0496 41.5843 176.8148 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 R 8.24 4.29 0.00 1.78 1.99 0.00 3.13 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 2 Q 7.95 4.17 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.59 6.93 0.00 0.00 0.00 0.00 0.00 2.19 2.31 0.00 3 I 8.20 4.24 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.04 1.05 0.00 0.00 4 K 7.65 4.57 0.00 1.75 1.98 0.00 1.63 0.00 0.00 1.98 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.41 7.81 5 I 7.18 3.56 0.62 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.44 -0.35 0.00 0.00 6 W 7.70 5.14 0.00 3.22 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 7 F 8.04 4.43 0.00 3.38 3.07 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 8 Q 7.69 4.58 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.86 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 9 N 7.69 4.84 0.00 3.07 2.81 0.00 0.00 6.57 7.15 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 10 R 7.73 4.39 0.00 2.18 2.18 0.00 3.04 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 11 R 7.41 2.82 0.00 1.76 1.69 0.00 3.21 0.00 0.00 3.41 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 12 M 7.25 4.15 0.00 1.87 1.85 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 13 K 6.62 4.01 0.00 1.32 1.99 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.24 1.50 7.81 14 W 6.69 4.46 0.00 3.39 3.26 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 15 K 7.02 3.71 0.00 1.96 2.17 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.19 1.36 7.81 16 K 7.26 4.88 0.00 2.16 1.95 0.00 1.86 0.00 0.00 1.85 0.00 0.00 3.12 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.48 7.81 17 R 7.84 4.82 0.00 1.94 2.02 0.00 3.44 0.00 0.00 3.52 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 18 V 7.74 3.53 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.78 0.00 0.00 19 F 7.14 3.87 0.00 3.06 3.07 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 20 N 9.08 4.52 0.00 2.78 2.84 0.00 0.00 7.09 8.41 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 21 D 7.99 4.25 0.00 2.90 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.86 4.10 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 23 R 7.48 4.42 0.00 2.13 2.02 0.00 3.25 0.00 0.00 3.25 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 24 D 7.78 4.67 0.00 2.65 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.49 4.69 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.84 0.93 0.00 0.00 26 I 7.77 4.41 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.18 0.91 0.00 0.00 27 Q 8.50 3.56 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 28 R 7.72 4.32 0.00 1.79 1.72 0.00 3.23 0.00 0.00 3.35 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 29 M 8.77 4.38 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 30 H 7.98 4.38 0.00 3.29 3.56 0.00 5.52 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.57 4.37 0.00 1.73 1.69 0.97 0.84 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 32 R 8.16 4.75 0.00 1.79 1.67 0.00 3.14 0.00 0.00 3.42 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.58 0.00 33 Q 8.49 4.15 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 34 Y 7.79 4.27 0.00 3.16 3.25 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 35 E 7.50 3.91 0.00 1.55 1.63 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 2.10 1.75 0.00 36 L 8.56 4.28 0.00 1.91 1.93 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 37 L 6.99 4.13 0.00 2.11 1.70 0.95 0.83 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