NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.6940 8.3249 119.4883 57.4754 40.3956 173.7361 2 E 4.5034 8.4712 121.1842 53.5841 31.9934 174.7260 3 N 4.6043 9.4310 121.5249 53.6020 39.1144 174.2583 4 R 4.6393 8.3151 125.3835 56.1126 30.9846 179.0410 5 V 3.6206 8.5021 120.9868 66.2256 31.3646 177.5394 6 A 4.2865 7.9467 121.2512 54.6404 18.2804 179.3171 7 E 3.9400 8.1419 116.6906 59.5635 29.5841 179.5494 8 K 4.1580 7.8392 118.4578 59.4919 31.5967 179.4578 9 Q 4.0976 8.5114 118.7616 58.7831 28.4129 178.7044 10 K 3.9421 7.8297 119.5673 59.4086 32.5345 178.2376 11 L 3.9212 7.7589 120.3048 58.0632 41.8416 178.4134 12 F 4.2923 8.0865 114.5404 58.3972 39.2546 176.7028 13 Q 4.5637 7.5004 116.4430 54.1714 29.4715 175.1763 14 E 3.8888 7.2515 121.7060 56.6829 30.3049 177.6283 15 D 4.6854 8.4971 126.9998 53.6910 39.2141 175.0259 16 N 4.7977 7.8717 114.1064 51.4720 38.3606 176.2097 17 G 3.9077 8.2463 105.0064 46.2476 0.0000 174.0397 18 L 4.1864 7.9962 119.9553 53.3512 42.4269 175.4166 19 P 4.5476 0.0000 0.0000 62.0323 32.4796 177.5838 20 V 3.6996 8.4632 119.2895 65.1654 31.1985 177.6545 21 H 4.5202 8.2115 113.5551 56.8105 28.7241 175.4249 22 L 4.6823 7.8582 119.5050 54.4220 42.5127 177.5933 23 K 4.1497 7.9931 119.6181 57.7676 32.3480 177.7307 24 G 3.6958 8.8467 106.9333 46.1920 0.0000 172.1363 25 G 3.7379 7.6316 104.9875 44.1260 0.0000 174.0928 26 A 4.0483 8.8187 119.2504 55.5158 18.2906 180.1607 27 T 3.8916 7.9519 113.9957 66.7866 68.4122 176.2174 28 D 4.4583 8.1029 120.6135 57.6039 40.9080 178.6696 29 N 4.4845 8.1658 116.3629 56.3055 38.5268 177.4138 30 I 3.7410 7.7332 120.8798 64.3615 37.1809 178.3176 31 L 3.9450 8.1298 121.1783 58.0644 41.9442 177.9173 32 Y 4.1820 8.3849 120.0241 61.2435 38.6704 178.8101 33 R 3.6586 8.0140 118.5146 58.8385 30.0811 179.2290 34 V 3.5188 8.0291 118.4849 66.2199 31.4747 178.2091 35 T 3.7717 8.0491 115.7017 66.9920 68.3234 176.4347 36 M 3.8843 8.0603 120.3104 58.7239 32.0536 178.3746 37 T 3.8227 7.8738 116.0462 66.5298 68.5300 176.6530 38 L 3.9554 8.0093 120.9310 57.8857 41.6363 179.4283 39 C 4.1315 8.2226 116.7383 62.8742 28.1443 176.2538 40 L 4.1152 8.3644 121.1265 57.6974 41.1401 179.7915 41 G 3.7330 8.4042 106.0816 47.8505 0.0000 176.0337 42 G 3.6963 8.4737 108.3136 47.5115 0.0000 176.1602 43 T 3.9768 8.0266 118.2013 66.5494 68.5050 176.8985 44 L 4.0785 8.0813 120.9943 57.9757 41.6158 178.8169 45 Y 4.4410 8.4992 120.0717 60.8568 38.5836 178.4603 46 S 4.0225 8.3271 115.3122 61.3111 63.1033 176.5460 47 L 3.9776 8.1277 122.6484 57.5284 41.2649 178.7297 48 Y 4.1191 8.2276 119.4759 61.0231 38.7399 177.7193 49 C 3.7793 8.2860 117.9948 62.8694 28.3420 176.0091 50 L 4.0031 8.1794 121.8724 58.0327 41.4376 179.1147 51 G 3.7222 7.8609 104.3747 47.6636 0.0000 174.9841 52 W 4.1548 8.1234 131.1682 59.8759 30.5871 177.2464 53 A 4.1214 7.9480 117.3495 53.0814 18.4216 178.7604 54 S 3.9691 7.6912 112.6382 58.7422 63.3394 174.0634 55 F 4.6774 6.5598 118.6760 54.2180 41.5493 173.3815 56 P 4.2350 0.0000 0.0000 63.2023 31.9517 176.7682 57 H 4.6948 7.8339 119.3354 53.9799 28.1142 174.5402 58 K 4.5839 7.6509 121.4276 55.9910 31.5160 176.3313 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 F 8.32 4.69 0.00 2.90 3.12 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 2 E 8.47 4.50 0.00 2.04 1.87 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 2.24 2.39 0.00 3 N 9.43 4.60 0.00 2.71 2.79 0.00 0.00 6.94 7.65 0.00 0.00 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 R 8.32 4.64 0.00 1.92 2.03 0.00 3.74 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.58 0.00 5 V 8.50 3.62 2.10 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 1.12 0.00 0.00 0.95 0.00 0.00 6 A 7.95 4.29 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.14 3.94 0.00 2.20 2.02 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 2.41 2.42 0.00 8 K 7.84 4.16 0.00 2.00 2.09 0.00 1.96 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.70 1.73 7.81 9 Q 8.51 4.10 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.61 0.00 10 K 7.83 3.94 0.00 1.77 2.00 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 11 L 7.76 3.92 0.00 1.65 1.55 0.65 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.09 4.29 0.00 3.25 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 13 Q 7.50 4.56 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 14 E 7.25 3.89 0.00 1.88 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 2.29 2.23 0.00 15 D 8.50 4.69 0.00 2.67 2.58 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 16 N 7.87 4.80 0.00 2.78 2.81 0.00 0.00 6.32 7.00 0.00 0.00 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 G 8.25 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.00 4.19 0.00 1.79 1.57 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.55 0.00 2.21 2.17 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.86 0.00 20 V 8.46 3.70 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 0.79 0.00 0.00 0.91 0.00 0.00 21 H 8.21 4.52 0.00 3.31 3.45 0.00 5.47 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.86 4.68 0.00 1.55 1.60 0.72 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.99 4.15 0.00 2.02 2.21 0.00 2.05 0.00 0.00 1.95 0.00 0.00 3.15 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.40 1.32 7.81 24 G 8.85 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 0.00 0.00 0.00 25 G 7.63 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.82 4.05 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.95 3.89 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 1.24 0.00 0.00 28 D 8.10 4.46 0.00 3.05 2.93 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 0.00 0.00 0.00 29 N 8.17 4.48 0.00 2.91 2.94 0.00 0.00 7.11 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 30 I 7.73 3.74 2.07 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 1.43 0.87 0.93 0.00 0.00 31 L 8.13 3.94 0.00 1.90 1.73 0.94 0.72 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 32 Y 8.38 4.18 0.00 3.22 3.32 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 33 R 8.01 3.66 0.00 2.10 1.92 0.00 3.30 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 34 V 8.03 3.52 2.21 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 1.00 0.00 0.00 0.94 0.00 0.00 35 T 8.05 3.77 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 1.19 0.00 0.00 36 M 8.06 3.88 0.00 1.58 1.38 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 37 T 7.87 3.82 4.32 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 1.17 0.00 0.00 38 L 8.01 3.96 0.00 1.80 1.70 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.22 4.13 0.00 2.93 2.97 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 40 L 8.36 4.12 0.00 1.69 1.71 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.40 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 0.00 0.00 0.00 42 G 8.47 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 0.00 0.00 0.00 43 T 8.03 3.98 4.43 0.00 0.00 0.00 0.00 0.00 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 44 L 8.08 4.08 0.00 1.93 1.80 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.50 4.44 0.00 2.99 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 46 S 8.33 4.02 0.00 4.07 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 0.00 47 L 8.13 3.98 0.00 1.97 1.82 0.96 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.23 4.12 0.00 3.21 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 49 C 8.29 3.78 0.00 2.94 2.85 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 50 L 8.18 4.00 0.00 1.84 1.79 0.90 1.21 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 51 G 7.86 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 W 8.12 4.15 0.00 2.86 3.23 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 0.00 53 A 7.95 4.12 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 0.00 0.00 0.00 0.00 0.00 54 S 7.69 3.97 0.00 3.74 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 55 F 6.56 4.68 0.00 2.83 2.75 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 56 P 0.00 4.23 0.00 2.09 1.97 0.00 3.81 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 57 H 7.83 4.69 0.00 2.98 3.27 0.00 5.93 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 58 K 7.65 4.58 0.00 1.74 1.70 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.42 7.81