NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.5692 8.0433 120.5820 54.5904 44.1058 175.2422 2 K 4.7549 8.7652 122.1219 54.9335 33.6972 173.3344 3 C 5.2056 10.0451 124.8459 55.2709 41.9101 173.3382 4 N 5.3304 9.1562 120.0073 52.2490 40.8732 174.5375 5 K 4.8183 7.9847 120.3941 55.5684 33.7459 176.5238 6 L 3.9111 8.6500 121.0779 58.3973 41.9285 178.5363 7 V 4.2904 7.4284 117.8292 60.2431 33.4421 174.7017 8 P 4.8597 0.0000 0.0000 62.8287 29.7688 175.6532 9 I 4.3956 7.6563 117.3920 61.8794 41.1800 174.4278 10 A 4.8782 7.5656 121.9944 50.1930 21.0570 175.1233 11 Y 5.1674 7.6551 118.9921 55.7918 41.6191 173.8539 12 K 4.7241 9.0041 119.0588 55.1409 37.4231 174.9221 13 T 4.7236 8.3891 117.5873 63.2980 69.1381 175.8952 14 C 4.5137 9.4844 126.0430 56.1623 40.1860 172.2220 15 P 4.3269 0.0000 0.0000 61.9187 31.5026 174.7480 16 E 4.1067 8.5837 118.8603 58.2068 29.6749 175.2057 17 G 4.1806 9.2061 115.3587 45.4240 0.0000 173.3556 18 K 4.5627 7.8592 119.7428 54.7701 32.9628 175.0014 19 N 5.0081 8.7989 120.9133 52.7291 39.8362 173.3911 20 L 4.9620 8.0044 116.3946 52.9034 45.4654 175.0513 21 C 5.2912 8.8505 120.0671 58.1195 31.0992 172.7055 22 Y 5.5260 8.8550 121.1142 55.1776 42.1829 174.7224 23 K 4.6205 9.1096 119.2027 55.9574 36.0039 174.8897 24 M 4.7785 9.1587 126.2207 54.1534 33.8217 175.2665 25 F 4.9974 9.2435 122.9646 55.8552 41.4174 174.9276 26 M 4.3749 8.8258 123.7616 56.4041 32.8715 173.9175 27 M 3.4126 9.2922 125.0226 55.8283 31.5040 176.9296 28 S 4.7015 7.5001 111.4590 57.1127 66.0374 173.3074 29 D 4.5107 8.4991 122.7124 54.5778 40.4234 178.5052 30 L 3.8408 7.9088 119.0385 57.5092 42.2107 177.5872 31 T 4.4868 7.2334 110.7235 61.2011 70.1713 173.6875 32 I 4.4969 7.3473 120.8623 59.3240 38.7906 174.4500 33 P 4.4807 0.0000 0.0000 62.8782 31.9294 175.3766 34 V 4.2348 7.9030 107.9126 62.7313 34.2034 176.3286 35 K 4.5976 7.5529 116.9316 55.0254 36.2063 175.1530 36 R 4.4147 8.1049 114.8787 55.6223 31.7073 174.3264 37 G 3.5480 6.8459 110.9354 45.8920 0.0000 171.2188 38 C 5.2142 8.1636 119.8130 58.7458 31.4817 172.4816 39 I 4.3742 8.9481 120.2587 61.3956 41.3324 174.1085 40 D 4.6794 8.9398 122.2557 53.8528 40.8350 177.0662 41 V 4.3372 7.4272 117.6764 60.2813 34.2650 175.0025 42 C 4.3171 8.8997 127.3154 55.9598 43.6854 171.3788 43 P 4.4189 0.0000 0.0000 61.9661 31.6809 175.8776 44 K 3.9325 8.0154 119.2790 56.1089 32.2778 177.2711 45 N 3.8814 8.2698 122.5766 52.9434 39.7097 172.9881 46 S 4.7582 7.7218 114.4482 56.3394 65.9954 173.3929 47 L 4.2843 8.3286 120.2221 56.4427 42.4207 176.8990 48 L 4.3509 7.8353 120.1043 56.6169 43.6209 176.2186 49 V 5.1200 8.3196 117.4410 60.7886 35.9540 174.1727 50 K 4.8154 9.3984 125.4795 54.9846 34.7173 174.5635 51 Y 4.6696 9.2484 126.7208 57.1318 38.5698 175.9637 52 V 4.3245 8.6721 126.4804 61.5942 32.5548 174.0335 53 C 5.4548 8.7198 125.0079 56.3148 41.7784 171.5733 54 C 4.9518 9.1168 115.5168 54.5786 45.3541 173.7717 55 N 4.8892 8.5420 112.6789 52.4975 37.9190 173.7386 56 T 4.5387 7.6507 108.6637 59.9943 70.7823 173.4818 57 D 4.5138 8.4874 124.5241 55.8200 41.1280 176.4167 58 R 4.0098 9.2792 124.1412 57.5212 27.6825 175.6973 59 C 4.4083 8.0312 114.7628 57.7100 42.3597 173.2354 60 N 4.5330 7.9565 121.0954 52.6099 37.2263 174.5582 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 L 8.04 4.57 0.00 1.85 1.66 1.05 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.77 4.75 0.00 1.66 1.92 0.00 1.71 0.00 0.00 1.88 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.53 7.81 3 C 10.05 5.21 0.00 2.79 2.87 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 0.00 0.00 0.00 4 N 9.16 5.33 0.00 2.70 2.90 0.00 0.00 6.94 7.96 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 5 K 7.98 4.82 0.00 1.73 1.70 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.39 7.81 6 L 8.65 3.91 0.00 1.53 1.69 0.84 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.43 4.29 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 1.01 0.00 0.00 0.93 0.00 0.00 8 P 0.00 4.86 0.00 2.09 2.03 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 9 I 7.66 4.40 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.78 0.92 0.00 0.00 10 A 7.57 4.88 1.14 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 0.00 0.00 11 Y 7.66 5.17 0.00 2.97 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 12 K 9.00 4.72 0.00 1.65 1.71 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.32 7.81 13 T 8.39 4.72 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 14 C 9.48 4.51 0.00 2.85 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 15 P 0.00 4.33 0.00 2.22 2.24 0.00 3.71 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 16 E 8.58 4.11 0.00 1.93 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 2.30 2.39 0.00 17 G 9.21 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 0.00 0.00 0.00 0.00 18 K 7.86 4.56 0.00 1.76 1.85 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.36 7.81 19 N 8.80 5.01 0.00 2.63 2.75 0.00 0.00 7.04 7.79 0.00 0.00 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 L 8.00 4.96 0.00 1.89 1.67 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 21 C 8.85 5.29 0.00 2.83 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 22 Y 8.85 5.53 0.00 2.91 3.03 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 23 K 9.11 4.62 0.00 1.33 1.79 0.00 1.35 0.00 0.00 1.98 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.68 1.90 7.81 24 M 9.16 4.78 0.00 1.75 1.78 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.11 0.00 25 F 9.24 5.00 0.00 2.96 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 26 M 8.83 4.37 0.00 2.07 1.98 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 2.59 2.56 0.00 27 M 9.29 3.41 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.63 0.00 28 S 7.50 4.70 0.00 3.79 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.50 4.51 0.00 2.26 2.32 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 30 L 7.91 3.84 0.00 1.62 1.79 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.23 4.49 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 1.23 0.00 0.00 32 I 7.35 4.50 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.54 0.94 0.00 0.00 33 P 0.00 4.48 0.00 1.67 0.68 0.00 3.79 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.94 0.00 34 V 7.90 4.23 2.04 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 0.88 0.00 0.00 0.90 0.00 0.00 35 K 7.55 4.60 0.00 1.74 1.60 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.33 7.81 36 R 8.10 4.41 0.00 1.64 1.59 0.00 2.85 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.50 0.00 37 G 6.85 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 C 8.16 5.21 0.00 2.84 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.95 4.37 2.31 0.00 0.00 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 1.60 1.18 1.11 0.00 0.00 40 D 8.94 4.68 0.00 2.82 3.03 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 41 V 7.43 4.34 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 0.92 0.00 0.00 0.95 0.00 0.00 42 C 8.90 4.32 0.00 3.02 3.03 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 43 P 0.00 4.42 0.00 2.10 1.96 0.00 3.78 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 44 K 8.02 3.93 0.00 1.58 1.62 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.33 7.81 45 N 8.27 3.88 0.00 2.64 2.66 0.00 0.00 6.99 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 46 S 7.72 4.76 0.00 4.06 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 47 L 8.33 4.28 0.00 1.61 1.73 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.84 4.35 0.00 1.76 1.67 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.32 5.12 2.32 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 0.96 0.00 0.00 1.02 0.00 0.00 50 K 9.40 4.82 0.00 1.99 1.81 0.00 1.61 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.54 7.81 51 Y 9.25 4.67 0.00 2.82 2.94 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 52 V 8.67 4.32 2.40 0.00 0.00 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 1.25 0.00 0.00 53 C 8.72 5.45 0.00 2.98 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 54 C 9.12 4.95 0.00 2.95 3.19 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 0.00 0.00 0.00 0.00 55 N 8.54 4.89 0.00 2.78 2.87 0.00 0.00 5.90 7.72 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 56 T 7.65 4.54 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 1.21 0.00 0.00 57 D 8.49 4.51 0.00 2.62 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 9.28 4.01 0.00 1.76 1.79 0.00 2.61 0.00 0.00 2.84 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.26 0.00 59 C 8.03 4.41 0.00 3.03 3.34 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 60 N 7.96 4.53 0.00 2.78 2.77 0.00 0.00 5.66 7.78 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