NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 V 4.0591 7.9133 120.3916 63.2198 32.8621 175.7887 6 R 3.4675 8.0174 130.4324 57.0129 28.7293 177.1948 7 I 4.0193 8.7099 127.4139 63.2165 37.6629 176.1002 8 K 3.9097 8.3210 124.8725 57.5460 32.0918 173.0375 9 L 4.0190 8.1075 128.7736 54.2618 43.4478 172.8143 10 L 4.5102 8.3783 125.9803 54.4847 42.4574 176.1329 11 L 4.8985 8.9044 124.8971 53.3268 45.8612 174.8289 12 E 5.0751 8.8103 122.2983 54.8543 33.4063 174.5935 13 C 5.1693 8.4941 117.7769 57.5719 32.2773 172.5804 14 T 4.7316 7.8008 113.1122 59.7132 70.8164 172.9934 15 E 4.1645 9.1635 127.7755 62.2276 30.3993 178.5892 16 C 3.8997 6.6482 110.2123 58.0051 27.7117 173.0651 17 K 4.8439 7.9385 127.3820 55.3199 34.8686 176.4648 18 R 4.5131 7.2950 115.9301 55.4811 33.9958 172.7007 19 R 3.5092 8.7667 119.0438 56.7516 28.1843 175.6507 20 N 4.0571 8.9338 113.6318 53.0542 40.0988 171.1510 21 Y 4.9133 8.2890 116.6594 57.1473 42.2823 174.2274 22 A 4.4066 8.3849 120.0927 52.1262 23.7354 175.4069 23 T 3.4928 8.0535 104.3549 62.5318 67.9607 170.2836 24 E 4.7078 8.5001 128.1268 55.0485 33.8940 174.1948 25 K 4.8326 8.7178 119.5378 57.5185 36.1431 176.3018 26 N 4.7847 9.6732 115.2726 52.0334 39.7803 174.8398 27 K 4.4847 10.0915 131.5574 63.8533 35.5075 176.3477 28 R 3.0671 7.4868 116.7208 55.5953 32.8850 176.1941 29 N 3.9025 9.0133 108.7683 56.4645 39.4346 174.0894 30 T 3.5146 8.2539 117.3078 65.0997 68.5010 174.4437 31 P 3.8907 0.0000 0.0000 63.4154 27.2007 173.9030 32 N 4.4261 8.0627 120.3447 53.0431 41.7290 172.5633 33 K 4.0163 8.4882 117.9034 58.7196 31.1554 176.4660 34 L 3.8965 8.8236 122.2024 54.4435 38.2534 173.4109 35 E 3.9131 8.0180 119.3541 57.0860 30.2463 175.7448 36 L 4.9654 8.1623 127.5761 53.3059 45.4025 174.9178 37 R 4.4609 8.2199 125.0738 55.7755 34.7249 173.1461 38 K 4.3112 8.7630 123.2327 56.5028 32.4981 176.1242 39 Y 4.6015 8.1570 124.8980 55.7481 41.6962 174.5911 40 C 4.2356 7.7504 126.8386 57.1487 30.7240 171.2553 41 P 4.6384 0.0000 0.0000 62.3480 31.7480 176.1772 42 W 5.1808 8.6194 127.9741 59.1233 31.8651 177.2861 43 C 4.2153 8.0251 119.5607 58.7401 29.9641 170.3825 44 R 3.6796 7.9851 125.8224 54.7730 27.5238 174.8712 45 K 4.0657 8.6418 124.0036 56.1274 32.7907 177.0824 46 H 5.5773 7.8481 135.0000 56.1976 30.1270 174.1819 47 T 4.8318 7.0290 108.6718 61.3360 73.0215 175.5318 48 V 4.6146 7.8243 123.1728 60.1780 30.2980 179.1678 49 H 5.7288 7.4416 128.8137 56.8410 32.8324 173.8022 50 R 5.1935 7.3911 120.3401 54.5822 32.2756 173.9856 51 E 4.5605 8.1423 120.5838 56.2708 31.9971 173.7970 52 V 4.1085 7.4483 117.4662 63.3535 33.6213 169.8443 53 K 4.1667 8.1376 117.7461 53.9617 34.5727 175.9783 54 I 3.5605 7.6823 125.2563 60.5482 38.9112 173.8917 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 5 V 7.91 4.06 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 1.04 0.00 0.00 0.93 0.00 0.00 6 R 8.02 3.47 0.00 2.14 1.22 0.00 3.18 0.00 0.00 3.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 7 I 8.71 4.02 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 1.30 0.46 0.91 0.00 0.00 8 K 8.32 3.91 0.00 1.91 1.86 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.41 7.81 9 L 8.11 4.02 0.00 1.88 1.69 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.38 4.51 0.00 1.56 1.58 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.90 4.90 0.00 1.64 1.61 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.81 5.08 0.00 1.89 1.90 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 2.18 2.35 0.00 13 C 8.49 5.17 0.00 2.70 2.71 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 14 T 7.80 4.73 4.12 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 1.15 0.00 0.00 15 E 9.16 4.16 0.00 1.82 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 16 C 6.65 3.90 0.00 3.33 3.20 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 17 K 7.94 4.84 0.00 1.97 1.96 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.21 1.08 7.81 18 R 7.29 4.51 0.00 1.99 2.12 0.00 3.03 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.40 0.00 19 R 8.77 3.51 0.00 1.98 1.99 0.00 3.28 0.00 0.00 3.38 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 20 N 8.93 4.06 0.00 2.94 2.64 0.00 0.00 6.68 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 21 Y 8.29 4.91 0.00 2.98 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.38 4.41 0.18 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 23 T 8.05 3.49 4.23 0.00 0.00 0.00 0.00 0.00 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 24 E 8.50 4.71 0.00 1.83 1.83 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 2.11 2.32 0.00 25 K 8.72 4.83 0.00 1.85 1.76 0.00 1.51 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.27 1.42 7.81 26 N 9.67 4.78 0.00 2.59 2.41 0.00 0.00 6.97 7.49 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 27 K 10.09 4.48 0.00 1.92 1.90 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.29 1.18 7.81 28 R 7.49 3.07 0.00 1.86 1.55 0.00 3.33 0.00 0.00 3.22 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 29 N 9.01 3.90 0.00 2.75 2.81 0.00 0.00 6.77 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 30 T 8.25 3.51 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 31 P 0.00 3.89 0.00 2.10 2.25 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 32 N 8.06 4.43 0.00 2.74 2.87 0.00 0.00 7.53 6.68 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 33 K 8.49 4.02 0.00 1.88 2.10 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.35 7.81 34 L 8.82 3.90 0.00 1.74 2.03 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.02 3.91 0.00 2.08 2.09 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 2.31 2.34 0.00 36 L 8.16 4.97 0.00 1.63 1.45 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.22 4.46 0.00 1.99 1.75 0.00 3.21 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.48 0.00 38 K 8.76 4.31 0.00 1.71 1.77 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.46 7.81 39 Y 8.16 4.60 0.00 2.78 2.51 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 40 C 7.75 4.24 0.00 2.84 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.64 0.00 2.20 2.17 0.00 3.79 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 42 W 8.62 5.18 0.00 3.19 3.15 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 43 C 8.03 4.22 0.00 3.06 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 44 R 7.99 3.68 0.00 1.92 2.03 0.00 3.27 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.65 0.00 45 K 8.64 4.07 0.00 1.94 2.13 0.00 2.01 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.47 7.81 46 H 7.85 5.58 0.00 3.41 3.49 0.00 5.49 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.03 4.83 4.25 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 1.09 0.00 0.00 48 V 7.82 4.61 2.16 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 0.75 0.00 0.00 0.96 0.00 0.00 49 H 7.44 5.73 0.00 3.49 3.20 0.00 5.76 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.39 5.19 0.00 1.75 1.76 0.00 3.53 0.00 0.00 3.46 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.49 0.00 51 E 8.14 4.56 0.00 1.93 1.89 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 2.22 2.25 0.00 52 V 7.45 4.11 2.27 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 0.85 0.00 0.00 0.95 0.00 0.00 53 K 8.14 4.17 0.00 1.88 1.76 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.34 7.81 54 I 7.68 3.56 1.87 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.67 0.98 0.00 0.00