NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5926 8.3049 118.3343 54.8735 32.9591 174.9281 2 K 4.0758 8.2946 120.2224 56.1475 33.0065 173.0290 3 V 3.6375 8.1070 116.0317 64.1314 33.5108 176.5853 4 R 3.0146 7.2991 110.0805 56.3773 31.5716 175.2228 5 A 4.3301 8.3198 123.8754 53.3345 19.6737 177.8664 6 S 4.6418 7.8388 109.6612 57.2564 64.0803 173.0772 7 V 4.1940 7.7476 115.4210 59.4986 33.5591 174.0495 8 K 3.9021 7.6517 125.1123 55.5945 31.8962 175.7764 9 K 4.4749 8.2357 119.6960 55.7722 33.3969 176.8115 10 L 4.5064 8.1996 118.0598 54.9157 44.1363 175.5885 11 C 4.8954 7.5460 112.0737 52.9791 44.0818 174.2170 12 R 3.9466 8.4256 114.6492 57.6865 29.0714 176.7058 13 N 4.7508 7.8201 114.7954 53.6189 39.9534 175.0012 14 C 4.8931 7.2701 114.6627 59.6797 28.6322 173.8677 15 K 4.3468 8.0847 118.8218 54.4679 33.9790 174.3832 16 I 3.2950 8.0357 121.6784 61.3160 35.3114 173.2248 17 V 4.2959 8.3731 124.0698 61.0457 34.5429 173.5392 18 K 4.7392 8.6478 128.4017 55.1430 32.5673 175.4748 19 R 4.7239 8.1433 125.8182 55.6100 33.7655 176.0302 20 D 4.2315 8.3242 121.3286 55.9809 40.1572 174.9539 21 G 4.1521 8.7959 113.0165 45.9486 0.0000 172.3052 22 V 4.4110 8.1156 119.8462 60.4059 34.8101 174.6294 23 I 4.0861 8.4992 129.0388 61.7529 38.2290 175.3204 24 R 4.9567 9.1408 124.8359 54.3660 35.1539 174.2586 25 V 4.7164 8.8718 120.2136 61.2801 34.6098 174.1365 26 I 4.8077 8.4277 128.0645 59.5773 40.0008 174.7697 27 C 5.4254 8.7716 126.7881 54.7842 45.4603 173.8352 28 S 4.1900 8.9957 119.0359 59.2142 63.4563 174.2789 29 A 4.4530 7.9443 122.6663 52.6554 21.0747 175.4844 30 E 4.4418 7.7917 116.0120 53.6054 31.4641 173.7324 31 P 4.2489 0.0000 0.0000 65.6578 31.5000 179.0538 32 K 3.9386 7.6088 115.1277 59.1055 32.0517 177.4077 33 H 4.6045 7.9454 114.6165 56.6255 29.2871 175.5166 34 K 4.8809 7.9842 122.4848 56.5216 32.4183 175.7692 35 Q 4.9117 8.7140 124.7450 54.5275 33.6441 174.1893 36 R 4.8786 8.2625 120.3837 55.8072 33.2696 173.8298 37 Q 3.1831 8.5865 114.0103 57.3576 27.2024 174.6642 38 G 3.7514 7.9203 110.6119 45.9466 0.0000 172.2425 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 4.59 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 2 K 8.29 4.08 0.00 1.85 1.76 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.48 7.81 3 V 8.11 3.64 2.08 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 0.74 0.00 0.00 0.93 0.00 0.00 4 R 7.30 3.01 0.00 2.00 2.30 0.00 3.02 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.95 0.00 5 A 8.32 4.33 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 6 S 7.84 4.64 0.00 3.98 3.87 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 7 V 7.75 4.19 2.08 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 0.92 0.00 0.00 0.93 0.00 0.00 8 K 7.65 3.90 0.00 1.90 1.81 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.44 7.81 9 K 8.24 4.47 0.00 1.69 1.70 0.00 1.57 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.50 7.81 10 L 8.20 4.51 0.00 1.20 1.53 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 11 C 7.55 4.90 0.00 3.09 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 12 R 8.43 3.95 0.00 1.94 2.09 0.00 3.01 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 13 N 7.82 4.75 0.00 2.73 2.90 0.00 0.00 6.98 7.66 0.00 0.00 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 C 7.27 4.89 0.00 3.08 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 15 K 8.08 4.35 0.00 1.82 1.78 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.59 7.81 16 I 8.04 3.30 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 1.29 0.62 0.91 0.00 0.00 17 V 8.37 4.30 2.08 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 1.00 0.00 0.00 0.93 0.00 0.00 18 K 8.65 4.74 0.00 1.75 1.71 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.44 7.81 19 R 8.14 4.72 0.00 1.83 1.77 0.00 3.33 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 20 D 8.32 4.23 0.00 2.78 1.85 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 21 G 8.80 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.12 4.41 2.08 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 0.97 0.00 0.00 0.93 0.00 0.00 23 I 8.50 4.09 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 0.63 0.91 0.00 0.00 24 R 9.14 4.96 0.00 1.85 1.77 0.00 3.06 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.77 0.00 25 V 8.87 4.72 2.18 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 1.01 0.00 0.00 0.97 0.00 0.00 26 I 8.43 4.81 1.88 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 1.23 1.14 0.92 0.00 0.00 27 C 8.77 5.43 0.00 3.01 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.00 4.19 0.00 4.02 3.97 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 29 A 7.94 4.45 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.79 4.44 0.00 1.95 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 2.07 2.05 0.00 31 P 0.00 4.25 0.00 2.19 2.09 0.00 3.63 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 32 K 7.61 3.94 0.00 1.65 1.86 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.64 7.81 33 H 7.95 4.60 0.00 3.30 3.33 0.00 5.68 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.98 4.88 0.00 1.86 1.70 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.41 7.81 35 Q 8.71 4.91 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.35 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 36 R 8.26 4.88 0.00 1.77 1.80 0.00 3.40 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 37 Q 8.59 3.18 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 38 G 7.92 3.75 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 0.00 0.00 0.00