NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0110 8.3393 109.7361 44.4063 0.0000 173.9265 2 S 4.6521 7.6710 116.4422 56.3980 63.8687 172.8684 3 S 4.5459 8.6887 115.2061 58.1663 67.6832 175.4065 4 G 3.9448 9.2184 109.6569 43.6394 0.0000 173.2472 5 S 4.1170 8.2299 114.3258 61.1311 62.7896 175.1825 6 S 4.5742 7.8764 119.0571 56.3041 62.1134 173.6816 7 G 4.2846 7.9949 116.0642 44.0868 0.0000 171.1441 8 E 4.4925 9.5751 119.2973 55.1814 29.1604 176.1252 9 G 4.9621 7.4780 127.0700 46.1881 0.0000 169.8984 10 E 4.6776 7.8569 117.3765 53.9038 31.5852 175.2213 11 K 4.6942 7.8290 121.4998 53.7707 34.8690 175.5562 12 P 3.9966 0.0000 0.0000 64.7241 31.5996 175.9398 13 Y 4.9047 7.1734 116.9626 57.5864 38.7019 175.2433 14 Q 4.6679 8.1680 120.5242 54.4188 30.5574 174.4536 15 C 4.5053 8.6318 125.4806 60.2589 32.2781 173.7658 16 S 4.4775 8.3999 117.3436 59.4461 64.1211 174.9157 17 E 3.9551 8.1878 120.1591 58.7947 29.4089 176.7088 18 C 4.4148 8.1902 110.1491 58.7333 31.3996 174.1958 19 G 4.1703 9.4041 109.3360 45.9372 0.0000 172.2027 20 K 4.0953 8.1233 126.2524 55.0358 34.5807 175.7518 21 S 4.7049 8.0774 122.5959 58.4108 63.8299 173.4937 22 F 4.9286 8.0176 118.7417 56.7005 42.6525 175.5864 23 S 4.4317 8.5404 119.8320 54.8808 60.3301 172.4013 24 G 4.0954 8.4745 111.5860 43.4447 0.0000 172.3706 25 S 3.2889 8.3014 117.1137 61.0987 62.5484 175.7712 26 Y 3.8322 7.7882 121.6867 60.9096 37.8960 178.2646 27 R 3.9420 7.5543 118.2632 59.3170 30.1462 178.3111 28 L 3.6390 7.7056 119.8044 59.1861 42.0825 178.7986 29 T 3.6082 7.2588 113.1209 67.0113 68.1456 175.9519 30 Q 3.9261 7.8560 119.3247 59.4981 29.1555 179.2500 31 H 4.2844 7.5678 117.7250 59.2814 29.9584 177.2045 32 W 4.1916 8.6906 121.0419 59.6862 28.8054 178.3764 33 I 3.7017 7.5367 119.5744 64.8695 36.1677 177.9338 34 T 4.0264 7.9629 113.4879 65.0061 66.6313 174.1456 35 H 5.3477 7.7547 116.8587 55.9328 29.1527 175.1807 36 T 4.4709 8.1653 117.8796 65.2671 70.6283 176.0305 37 R 3.9967 8.1132 115.8232 58.8845 29.8178 176.7974 38 E 3.8248 7.2582 117.5463 56.7249 29.6675 177.4441 39 K 4.4700 8.2556 125.5985 53.3606 31.9960 173.2464 40 P 4.4789 0.0000 0.0000 61.6504 32.4578 177.5396 41 S 4.2180 8.8349 115.7384 59.8886 63.0274 174.2156 42 G 3.6838 7.2319 116.3202 44.8542 0.0000 172.3434 43 P 4.4613 0.0000 0.0000 62.4254 30.7292 175.8304 44 S 4.4677 8.2562 118.1133 60.5696 65.1240 175.3712 45 S 4.2285 7.7306 113.4716 58.2507 63.3416 174.7235 46 G 4.0166 8.6408 109.0605 46.0884 0.0000 173.6203 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 G 8.34 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.67 4.65 0.00 4.01 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.69 4.55 0.00 3.81 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 9.22 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.23 4.12 0.00 3.99 4.03 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 4.57 0.00 3.86 3.85 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 7 G 7.99 4.28 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 0.00 8 E 9.58 4.49 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 9 G 7.48 4.96 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 10 E 7.86 4.68 0.00 2.04 1.93 0.00 0.00 0.00 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 2.35 0.00 11 K 7.83 4.69 0.00 1.86 1.78 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.35 1.49 7.81 12 P 0.00 4.00 0.00 1.38 1.92 0.00 3.71 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 13 Y 7.17 4.90 0.00 2.98 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.17 4.67 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 15 C 8.63 4.51 0.00 3.46 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 16 S 8.40 4.48 0.00 3.90 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.19 3.96 0.00 1.55 1.42 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 0.00 1.93 2.11 0.00 18 C 8.19 4.41 0.00 3.13 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 9.40 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 4.10 0.00 1.71 1.46 0.00 1.57 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.27 0.96 7.81 21 S 8.08 4.70 0.00 3.74 3.70 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 22 F 8.02 4.93 0.00 3.09 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 23 S 8.54 4.43 0.00 3.89 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.47 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.30 3.29 0.00 2.83 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.79 3.83 0.00 2.97 2.80 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 27 R 7.55 3.94 0.00 2.13 1.87 0.00 3.34 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 28 L 7.71 3.64 0.00 1.83 1.72 1.61 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 29 T 7.26 3.61 4.22 0.00 0.00 0.00 0.00 0.00 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 30 Q 7.86 3.93 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.03 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 31 H 7.57 4.28 0.00 2.97 3.20 0.00 5.81 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 W 8.69 4.19 0.00 3.50 3.36 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 33 I 7.54 3.70 1.98 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 1.66 0.98 0.92 0.00 0.00 34 T 7.96 4.03 4.18 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 0.92 0.00 0.00 35 H 7.75 5.35 0.00 3.18 3.10 0.00 5.65 0.00 0.00 0.00 0.00 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.17 4.47 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 1.23 0.00 0.00 37 R 8.11 4.00 0.00 1.92 2.06 0.00 3.07 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 1.59 1.65 0.00 38 E 7.26 3.82 0.00 1.81 1.99 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 2.38 2.53 0.00 39 K 8.26 4.47 0.00 1.64 1.68 0.00 1.66 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.43 7.81 40 P 0.00 4.48 0.00 2.21 2.03 0.00 3.86 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 41 S 8.83 4.22 0.00 3.99 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 42 G 7.23 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.46 0.00 2.18 2.12 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 44 S 8.26 4.47 0.00 3.82 3.88 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 0.00 0.00 0.00 45 S 7.73 4.23 0.00 3.83 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.64 4.02 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 0.00 0.00 0.00