NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3292 8.3044 120.3498 54.5665 33.4019 174.4015 2 K 3.7014 8.5030 122.3851 56.3399 32.1006 175.0078 3 R 4.5146 8.1752 126.0964 55.0594 32.8700 175.7834 4 T 4.0678 8.2857 107.9228 63.4687 69.3220 174.6341 5 F 4.6021 8.1512 123.9059 57.2842 38.4285 174.7766 6 Q 4.1611 8.0102 128.4403 52.7883 28.7285 174.1272 7 P 3.5138 0.0000 0.0000 62.5724 32.1134 177.0189 8 S 4.3250 7.9887 109.5754 56.5992 65.3053 176.9692 9 V 3.6693 8.1555 130.6664 64.8458 31.4705 177.8352 10 L 3.9903 7.9442 120.6862 57.9250 41.9014 178.9386 11 K 4.0900 7.8411 117.3697 58.8046 31.9866 179.2892 12 R 4.0033 8.5815 119.5365 59.8021 29.9886 178.4792 13 N 4.4225 8.7712 116.1580 55.9662 38.2655 177.5656 14 R 4.0313 7.8230 118.9831 58.3467 30.2837 178.3205 15 S 4.4926 7.8380 113.8715 60.0611 63.5096 175.0090 16 H 4.9085 8.1208 115.8148 54.8515 30.0605 174.4695 17 G 4.1372 7.8948 108.5415 43.2044 0.0000 174.7704 18 F 4.1250 8.6906 121.2622 61.5222 39.1601 177.3072 19 R 3.8976 8.1402 115.5962 59.0851 30.3498 178.4480 20 A 4.0938 7.8943 120.3020 54.9668 18.4511 179.5156 21 R 3.8020 7.7993 117.1735 59.5230 29.9849 177.7164 22 M 4.0535 7.4772 114.7971 56.3552 32.3144 176.5988 23 A 4.4846 7.2347 118.3946 52.1533 20.0997 176.7389 24 T 4.4159 7.2888 111.4220 59.7699 70.8476 174.2063 25 K 4.1264 8.6921 130.1102 59.8416 32.5573 178.0069 26 N 4.5608 8.2070 116.2297 55.6324 38.5549 177.7578 27 G 4.0352 7.7421 108.2866 47.4652 0.0000 175.6407 28 R 3.8479 8.2175 121.3127 59.1920 29.9988 179.0839 29 Q 3.9754 8.0250 117.5832 58.8017 28.6657 178.8562 30 V 3.5661 7.8287 119.3232 66.2094 31.4983 177.9147 31 L 3.9493 8.1224 118.3903 57.9329 41.3890 179.0027 32 A 3.9540 8.2602 120.7567 55.4551 18.2097 179.4947 33 R 3.8727 8.3437 115.9430 59.7777 30.2960 179.5452 34 R 3.9238 7.9917 117.2946 59.3363 30.0966 179.3304 35 R 3.9358 8.4860 118.1160 59.2192 29.8168 178.9767 36 A 4.0091 8.1386 120.0425 54.9947 18.4901 179.2871 37 K 4.1154 8.0791 116.8008 57.3301 32.2745 177.4272 38 G 3.8261 7.7818 106.5427 46.2107 0.0000 173.7205 39 R 3.9327 7.6692 118.9591 56.1407 30.5447 176.6131 40 A 4.1251 8.5736 126.8537 54.1187 17.7967 177.4883 41 R 4.5001 7.5942 114.6922 53.7546 31.0711 175.7105 42 L 4.2118 8.6889 123.2412 57.5650 41.8474 179.0132 43 T 4.3900 7.4318 103.5296 60.2884 71.0904 173.1615 44 V 3.6210 9.0838 121.7035 63.5418 31.4785 169.0599 45 S 4.3738 7.8974 127.8284 57.5737 64.8408 174.1765 46 K 4.1282 8.7380 126.0420 57.7709 31.9760 177.0959 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 4.33 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 2 K 8.50 3.70 0.00 1.83 1.73 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.52 7.81 3 R 8.18 4.51 0.00 1.86 1.92 0.00 3.44 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 4 T 8.29 4.07 4.29 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 1.24 0.00 0.00 5 F 8.15 4.60 0.00 2.94 3.09 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 0.00 0.00 0.00 0.00 6 Q 8.01 4.16 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 7 P 0.00 3.51 0.00 2.02 1.60 0.00 3.50 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.76 0.00 8 S 7.99 4.33 0.00 3.79 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 9 V 8.16 3.67 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 0.83 0.00 0.00 0.98 0.00 0.00 10 L 7.94 3.99 0.00 1.78 1.72 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.84 4.09 0.00 1.89 1.84 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.44 7.81 12 R 8.58 4.00 0.00 1.94 2.27 0.00 3.18 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 13 N 8.77 4.42 0.00 2.87 2.89 0.00 0.00 7.14 7.69 0.00 0.00 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 7.82 4.03 0.00 1.90 1.98 0.00 3.15 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 15 S 7.84 4.49 0.00 3.84 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 4.91 0.00 3.06 3.27 0.00 5.85 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 7.89 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.69 4.13 0.00 3.08 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 3.90 0.00 1.88 2.02 0.00 3.35 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.89 0.00 20 A 7.89 4.09 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 21 R 7.80 3.80 0.00 2.07 1.78 0.00 3.13 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 22 M 7.48 4.05 0.00 1.87 1.52 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.30 0.00 23 A 7.23 4.48 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 24 T 7.29 4.42 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 1.26 0.00 0.00 25 K 8.69 4.13 0.00 1.89 1.77 0.00 1.64 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.64 7.81 26 N 8.21 4.56 0.00 2.79 2.83 0.00 0.00 6.96 7.58 0.00 0.00 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 7.74 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 3.85 0.00 2.07 1.97 0.00 3.10 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 29 Q 8.03 3.98 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 30 V 7.83 3.57 2.26 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 1.03 0.00 0.00 0.96 0.00 0.00 31 L 8.12 3.95 0.00 1.87 1.72 0.65 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.26 3.95 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 8.34 3.87 0.00 2.00 2.03 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.95 0.00 34 R 7.99 3.92 0.00 2.02 1.99 0.00 3.14 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 35 R 8.49 3.94 0.00 2.05 2.00 0.00 3.16 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 36 A 8.14 4.01 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 37 K 8.08 4.12 0.00 1.87 1.97 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.45 7.81 38 G 7.78 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 0.00 0.00 0.00 39 R 7.67 3.93 0.00 1.98 1.86 0.00 3.31 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 40 A 8.57 4.13 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 41 R 7.59 4.50 0.00 1.84 1.86 0.00 3.17 0.00 0.00 3.34 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 42 L 8.69 4.21 0.00 1.74 1.90 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.43 4.39 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 44 V 9.08 3.62 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.94 0.00 0.00 45 S 7.90 4.37 0.00 3.82 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.74 4.13 0.00 1.71 1.67 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.43 7.81