NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 L 4.2722 8.0433 122.7531 54.6451 44.1233 175.7763 10 L 4.2012 8.5127 125.0298 53.6287 41.8500 174.5950 11 L 4.7135 8.3344 126.7181 52.9769 44.8961 175.1725 12 E 4.5744 8.7330 124.9405 54.3957 30.6882 175.5827 13 C 4.4541 8.1951 123.8312 60.5162 29.6295 172.8876 14 T 4.8638 7.9614 114.0845 60.5057 70.2950 172.8133 15 E 4.1822 8.0708 127.5323 55.2774 30.5937 175.8977 16 C 4.2231 8.4852 123.7205 60.8313 28.8732 173.8914 17 K 4.1296 8.6475 121.7879 56.8778 30.1202 175.6522 18 R 4.1748 7.2111 119.0993 55.7571 34.1822 177.2542 19 R 4.2206 8.0099 120.5085 57.0847 30.2179 174.0629 20 N 4.2446 7.8202 120.0261 53.5182 42.5079 173.2824 21 Y 5.7469 8.6190 124.5402 57.2175 40.7232 174.2041 22 A 4.5734 8.1243 118.1864 51.5798 22.5439 176.1242 23 T 4.2534 8.4166 111.0639 61.8779 69.6412 173.5727 24 E 4.6184 8.4312 123.7240 55.8232 34.3768 174.8428 25 K 4.6767 8.0864 120.7314 56.7878 33.3734 174.5120 26 N 4.7022 8.7273 126.4261 53.2530 40.1340 173.7732 27 K 4.7618 8.2291 120.3380 53.9767 36.3389 177.2277 28 R 4.1210 8.8282 120.8626 57.7109 28.8318 178.2067 29 N 4.4589 9.4063 116.2390 55.8231 39.7151 174.0803 30 T 3.8585 7.8446 113.6744 63.1155 68.9352 170.8951 31 P 4.2824 0.0000 0.0000 62.8608 30.3673 174.5048 32 N 4.4899 7.7421 114.3994 53.2002 40.1844 173.4103 33 K 4.4132 8.5842 122.8935 56.3693 33.8986 177.2213 34 L 5.0152 7.5642 116.2973 52.5468 43.2566 175.0115 35 E 4.7650 8.8443 122.1165 54.3905 32.3766 175.4404 36 L 5.5041 7.9738 124.3994 54.0677 40.9752 176.6532 37 R 4.2439 7.8067 117.4549 56.4036 31.3376 177.0025 38 K 4.6731 8.3627 122.5440 56.6220 34.1026 175.8329 39 Y 4.2459 7.6572 123.6449 57.0511 42.0661 175.7406 40 C 4.3107 8.2426 116.7502 57.9801 32.2943 171.6309 41 P 4.6983 0.0000 0.0000 61.7637 31.8302 176.8110 42 W 5.1578 8.6092 128.6837 60.6360 30.9864 176.0165 43 C 4.1039 8.1144 115.4351 60.9569 28.5286 175.4229 44 R 3.5921 8.3948 123.0300 57.2551 28.7514 175.0879 45 K 4.4091 8.5250 116.4975 57.5286 36.1273 171.8534 46 H 3.9719 9.2296 127.2016 55.8018 27.5025 174.2616 47 T 4.7024 8.1693 112.6535 59.7430 71.4008 173.9563 48 V 3.8091 8.3906 117.2386 62.4500 32.7320 175.1263 49 H 4.8124 8.4379 118.8230 54.2315 31.3164 173.9591 50 R 4.7695 8.4302 122.2276 55.6487 32.6164 178.9981 51 E 4.0267 9.0386 124.5817 56.3964 28.3638 176.9580 52 V 3.6660 9.1547 116.5057 63.3853 32.5846 170.9293 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 9 L 8.04 4.27 0.00 1.74 1.84 0.91 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.51 4.20 0.00 1.63 1.60 0.90 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.33 4.71 0.00 1.64 1.49 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.73 4.57 0.00 1.87 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 2.15 2.19 0.00 13 C 8.20 4.45 0.00 2.87 2.83 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 0.00 0.00 0.00 14 T 7.96 4.86 4.29 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 1.34 0.00 0.00 15 E 8.07 4.18 0.00 2.01 1.73 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 2.22 2.17 0.00 16 C 8.49 4.22 0.00 2.99 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 17 K 8.65 4.13 0.00 1.86 1.86 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.34 1.37 7.81 18 R 7.21 4.17 0.00 1.85 1.65 0.00 3.51 0.00 0.00 3.28 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 19 R 8.01 4.22 0.00 1.70 1.85 0.00 3.07 0.00 0.00 3.15 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 20 N 7.82 4.24 0.00 2.73 2.75 0.00 0.00 7.03 7.56 0.00 0.00 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 8.62 5.75 0.00 2.88 2.86 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 22 A 8.12 4.57 0.78 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 0.00 0.00 23 T 8.42 4.25 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 1.20 0.00 0.00 24 E 8.43 4.62 0.00 2.08 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 2.10 2.16 0.00 25 K 8.09 4.68 0.00 1.71 1.68 0.00 1.59 0.00 0.00 1.78 0.00 0.00 2.66 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.49 7.81 26 N 8.73 4.70 0.00 2.75 2.70 0.00 0.00 7.09 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 27 K 8.23 4.76 0.00 1.75 1.68 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.32 7.81 28 R 8.83 4.12 0.00 1.74 1.36 0.00 3.28 0.00 0.00 3.15 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 29 N 9.41 4.46 0.00 2.72 2.83 0.00 0.00 6.85 7.70 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 30 T 7.84 3.86 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 1.21 0.00 0.00 31 P 0.00 4.28 0.00 2.03 2.06 0.00 3.73 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 2.03 2.10 0.00 32 N 7.74 4.49 0.00 2.62 2.78 0.00 0.00 7.18 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 8.58 4.41 0.00 1.77 1.83 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.34 7.81 34 L 7.56 5.02 0.00 1.68 1.58 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.84 4.77 0.00 1.90 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 2.17 2.25 0.00 36 L 7.97 5.50 0.00 1.74 1.65 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.81 4.24 0.00 1.95 1.92 0.00 3.19 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 38 K 8.36 4.67 0.00 1.79 1.81 0.00 1.97 0.00 0.00 1.94 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.52 1.52 7.81 39 Y 7.66 4.25 0.00 2.74 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 4.31 0.00 2.56 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 4.70 0.00 2.36 2.15 0.00 3.90 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 42 W 8.61 5.16 0.00 3.20 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 43 C 8.11 4.10 0.00 3.03 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 44 R 8.39 3.59 0.00 1.91 1.92 0.00 3.25 0.00 0.00 3.21 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 45 K 8.52 4.41 0.00 1.74 1.75 0.00 2.01 0.00 0.00 2.03 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.44 7.81 46 H 9.23 3.97 0.00 3.33 3.38 0.00 5.71 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 47 T 8.17 4.70 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 48 V 8.39 3.81 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 0.72 0.00 0.00 0.93 0.00 0.00 49 H 8.44 4.81 0.00 3.40 3.16 0.00 5.80 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.43 4.77 0.00 1.73 1.85 0.00 3.30 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 51 E 9.04 4.03 0.00 2.00 1.47 0.00 0.00 0.00 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 2.30 0.00 52 V 9.15 3.67 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 0.80 0.00 0.00 0.94 0.00 0.00