NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4289 8.3044 118.1951 54.4278 32.5933 174.5176 2 K 3.9228 8.4626 120.9308 56.1205 32.0529 173.3802 3 R 4.5571 7.8581 123.1972 56.8809 34.0171 176.1221 4 T 4.6218 7.5221 107.8805 61.5639 72.5927 173.6003 5 F 4.1593 8.1596 125.2024 56.9547 40.3256 174.1799 6 Q 4.5722 8.0658 128.4306 53.4003 30.7491 172.7350 7 P 4.7896 0.0000 0.0000 62.5164 32.4131 175.6680 8 S 4.7495 8.2801 114.6647 57.5308 65.5475 173.8614 9 V 4.6038 8.1373 113.1041 60.1148 32.2177 177.0333 10 L 4.4081 7.2631 118.2529 56.0982 42.9125 178.0538 11 K 3.9784 8.0435 119.5987 59.8479 32.7492 178.5088 12 R 3.8953 7.6540 117.4847 60.3017 29.4604 178.0378 13 N 4.4507 8.0939 115.3318 55.0434 38.6924 176.1127 14 R 4.5001 7.4496 116.2033 55.1082 29.7804 176.9508 15 S 4.4859 7.8997 109.8364 61.0095 67.8574 175.8478 16 H 4.6043 7.8063 114.6111 56.7681 31.5706 173.8094 17 G 3.9922 7.7655 111.0210 44.6123 0.0000 175.0022 18 F 4.3594 8.7810 120.2994 60.1909 39.5317 176.5523 19 R 4.6511 8.4358 116.2869 54.9619 30.1347 176.0498 20 A 4.6299 7.7034 119.1899 52.1682 20.0076 177.9291 21 R 4.4479 7.6526 112.4658 55.8869 31.6205 173.9637 22 M 4.4258 7.7357 114.9711 54.4213 33.4560 175.8340 23 A 4.4291 8.1867 127.5982 52.3921 20.4712 174.8125 24 T 4.3637 7.5719 112.2355 62.2336 69.9560 173.8825 25 K 3.8055 8.6324 124.9606 59.2712 32.0795 177.5075 26 N 4.8061 8.0417 113.8547 53.7772 39.1647 176.2736 27 G 3.8048 7.7080 104.0583 45.5771 0.0000 174.6164 28 R 4.3503 7.3893 118.9082 56.8293 30.3210 177.3900 29 Q 4.0751 7.7369 117.3535 58.7758 28.7725 178.2764 30 V 3.5486 7.6420 119.4331 65.9514 30.9320 177.7056 31 L 4.2214 7.9228 117.4831 56.5405 41.4171 177.8365 32 A 4.5309 7.3168 119.1469 52.0278 19.2905 177.5779 33 R 4.4948 7.5764 116.9425 56.1502 33.0072 177.1664 34 R 4.3804 8.1376 115.3010 56.6992 28.8184 177.5585 35 R 4.3030 7.5313 115.1738 57.4327 30.6885 177.5932 36 A 4.3967 7.8045 119.4168 54.5710 18.8015 179.2022 37 K 4.1595 8.0379 116.6870 58.3502 32.0759 178.1512 38 G 4.2017 7.2415 105.6234 45.4720 0.0000 173.9420 39 R 4.2240 7.6945 117.5481 55.5125 30.7671 176.6147 40 A 4.4349 8.2781 121.8697 53.0935 19.8461 179.1831 41 R 4.3270 7.7593 115.3895 56.5045 27.2125 176.2154 42 L 4.6709 7.8512 116.3029 54.7987 42.8583 177.2207 43 T 4.6246 7.4229 113.0415 62.0522 70.3090 173.8493 44 V 3.4480 8.1050 119.3860 63.5081 30.0364 172.6823 45 S 4.6788 7.8673 111.5710 57.6362 67.7073 174.3624 46 K 4.0638 8.3436 127.0415 57.9196 31.7225 176.1052 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 8.30 4.43 0.00 2.15 2.16 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 2.47 2.54 0.00 2 K 8.46 3.92 0.00 1.84 1.78 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.57 7.81 3 R 7.86 4.56 0.00 1.88 1.84 0.00 3.44 0.00 0.00 3.30 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 4 T 7.52 4.62 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 1.23 0.00 0.00 5 F 8.16 4.16 0.00 3.06 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.07 4.57 0.00 1.98 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.72 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 7 P 0.00 4.79 0.00 2.34 2.28 0.00 3.94 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 8 S 8.28 4.75 0.00 4.05 3.83 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 0.00 0.00 0.00 0.00 9 V 8.14 4.60 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 1.04 0.00 0.00 0.95 0.00 0.00 10 L 7.26 4.41 0.00 1.67 1.49 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.04 3.98 0.00 1.79 1.85 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.49 7.81 12 R 7.65 3.90 0.00 1.96 2.02 0.00 3.21 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 13 N 8.09 4.45 0.00 3.17 2.88 0.00 0.00 6.70 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 7.45 4.50 0.00 1.83 1.96 0.00 3.09 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.54 0.00 15 S 7.90 4.49 0.00 3.83 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.81 4.60 0.00 3.18 3.27 0.00 5.89 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 17 G 7.77 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.78 4.36 0.00 2.92 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 4.65 0.00 1.89 1.91 0.00 3.39 0.00 0.00 3.60 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 20 A 7.70 4.63 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 21 R 7.65 4.45 0.00 1.77 1.89 0.00 3.20 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 22 M 7.74 4.43 0.00 1.73 1.42 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 23 A 8.19 4.43 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.57 4.36 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 25 K 8.63 3.81 0.00 1.80 1.79 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.47 7.81 26 N 8.04 4.81 0.00 2.84 2.80 0.00 0.00 7.05 7.74 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 27 G 7.71 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 0.00 0.00 0.00 28 R 7.39 4.35 0.00 1.84 1.87 0.00 3.24 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.76 0.00 29 Q 7.74 4.08 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 30 V 7.64 3.55 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 1.08 0.00 0.00 0.96 0.00 0.00 31 L 7.92 4.22 0.00 1.72 1.75 0.64 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.32 4.53 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 7.58 4.49 0.00 1.75 1.91 0.00 3.12 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 34 R 8.14 4.38 0.00 1.99 2.14 0.00 3.13 0.00 0.00 3.13 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 35 R 7.53 4.30 0.00 2.01 1.98 0.00 3.11 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 36 A 7.80 4.40 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 37 K 8.04 4.16 0.00 1.76 1.89 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.48 1.62 7.81 38 G 7.24 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.69 4.22 0.00 2.01 1.94 0.00 3.17 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 40 A 8.28 4.43 1.27 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 0.00 0.00 0.00 41 R 7.76 4.33 0.00 1.83 1.94 0.00 3.20 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.66 0.00 42 L 7.85 4.67 0.00 1.75 1.88 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.42 4.62 4.35 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 44 V 8.11 3.45 2.11 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 0.78 0.00 0.00 0.96 0.00 0.00 45 S 7.87 4.68 0.00 3.85 3.59 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 46 K 8.34 4.06 0.00 1.78 1.69 0.00 1.57 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.27 1.35 7.81