NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8484 8.3393 109.7366 44.8089 0.0000 172.6203 2 S 3.8453 8.4146 120.7863 58.0396 62.7785 172.7141 3 S 4.3803 8.8138 117.2787 58.2401 65.7300 175.9636 4 G 4.0600 8.8419 114.2690 45.7393 0.0000 173.4285 5 S 4.5598 7.6967 114.7597 56.5368 64.1274 174.6813 6 S 4.4424 8.6897 121.6768 57.2145 63.2414 173.3465 7 G 4.2708 7.8863 116.4537 46.0688 0.0000 173.2967 8 K 4.1701 7.5045 121.7081 54.9293 33.5466 175.8945 9 P 4.2115 0.0000 0.0000 66.0518 31.6497 176.5492 10 Y 4.2822 7.6617 117.8085 57.3844 38.4534 175.1556 11 K 5.1387 8.6645 123.4114 54.4865 35.6604 175.3675 12 C 4.6209 9.3006 124.4995 58.3882 32.3049 172.7795 13 P 4.2830 0.0000 0.0000 64.5975 31.0224 176.3617 14 Q 4.2518 7.2179 116.8900 56.5565 30.1413 176.4127 15 C 4.7701 7.5110 112.2749 56.5450 32.7958 172.8859 16 S 4.5674 8.2984 111.6452 59.0368 63.2479 172.6931 17 Y 4.5057 8.1387 123.0618 58.2875 39.6031 173.6282 18 A 5.2220 7.9842 127.8006 50.1734 22.2286 174.8394 19 S 4.5440 9.0652 115.1507 56.4104 65.9052 174.9703 20 A 4.3194 8.8553 127.4616 54.1711 18.8034 178.4929 21 I 4.2575 7.2707 116.7183 59.2241 40.0281 176.3606 22 K 3.0331 7.7082 125.1657 59.2416 32.2654 178.7061 23 A 3.8843 7.8234 120.3822 55.5163 18.3051 179.0032 24 N 4.2501 7.6154 114.1042 56.5544 38.6764 177.3208 25 L 4.0354 8.0633 121.6345 58.1085 42.0565 178.3526 26 N 4.2221 8.2265 116.0653 56.7516 38.2895 177.3073 27 V 3.5487 7.3706 117.1823 66.1135 31.6461 176.9619 28 H 3.9912 7.9105 117.7013 59.2772 29.5064 177.2436 29 L 3.9563 7.9672 120.6426 57.7756 41.2710 179.4788 30 R 4.0744 7.3278 117.1721 59.1471 29.8739 178.2613 31 K 4.1846 7.6051 117.5699 58.7791 32.2851 178.6981 32 H 4.1763 8.1837 116.1854 58.5970 28.9542 176.1568 33 T 4.3805 7.7876 113.6034 61.4650 67.6393 174.5252 34 G 4.0581 7.6220 105.7865 44.5720 0.0000 173.2000 35 E 4.6122 8.4600 120.7595 55.2848 32.3816 174.9943 36 K 4.1152 8.4444 119.4393 56.5784 32.2854 176.0011 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 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 0.00 0.00 0.00 2 S 8.41 3.85 0.00 4.07 3.96 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 3 S 8.81 4.38 0.00 3.79 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 8.84 4.06 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 0.00 0.00 0.00 5 S 7.70 4.56 0.00 3.83 3.76 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 6 S 8.69 4.44 0.00 3.84 3.77 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 0.00 0.00 0.00 0.00 7 G 7.89 4.27 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 0.00 8 K 7.50 4.17 0.00 1.77 1.98 0.00 1.88 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.45 7.81 9 P 0.00 4.21 0.00 1.69 2.01 0.00 3.85 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.93 0.00 10 Y 7.66 4.28 0.00 3.29 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.66 5.14 0.00 1.61 1.72 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.47 7.81 12 C 9.30 4.62 0.00 3.28 3.18 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 13 P 0.00 4.28 0.00 2.22 2.18 0.00 3.84 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 14 Q 7.22 4.25 0.00 1.80 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.22 2.18 0.00 15 C 7.51 4.77 0.00 3.16 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 16 S 8.30 4.57 0.00 4.04 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 17 Y 8.14 4.51 0.00 3.03 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.98 5.22 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 19 S 9.07 4.54 0.00 3.73 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 20 A 8.86 4.32 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.27 4.26 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.89 0.86 0.00 0.00 22 K 7.71 3.03 0.00 1.18 1.52 0.00 1.84 0.00 0.00 1.87 0.00 0.00 3.34 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.43 1.42 7.81 23 A 7.82 3.88 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 24 N 7.62 4.25 0.00 3.20 2.99 0.00 0.00 6.72 6.63 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 25 L 8.06 4.04 0.00 1.93 1.88 1.01 1.06 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 26 N 8.23 4.22 0.00 2.98 2.86 0.00 0.00 6.72 7.67 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 27 V 7.37 3.55 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.96 0.00 0.00 28 H 7.91 3.99 0.00 2.72 3.02 0.00 5.83 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.97 3.96 0.00 1.88 1.69 0.94 0.99 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 30 R 7.33 4.07 0.00 1.88 2.01 0.00 3.12 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 31 K 7.61 4.18 0.00 1.67 1.71 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.37 7.81 32 H 8.18 4.18 0.00 3.16 3.30 0.00 5.65 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.79 4.38 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 1.26 0.00 0.00 34 G 7.62 4.06 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 0.00 0.00 0.00 35 E 8.46 4.61 0.00 2.03 1.88 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 2.18 2.28 0.00 36 K 8.44 4.12 0.00 1.70 1.71 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.47 7.81