NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4946 8.1593 117.3239 62.6132 70.2039 173.3385 2 P 4.2952 0.0000 0.0000 62.0710 32.7472 173.9481 3 D 4.5794 8.8937 121.9648 55.5484 41.2847 177.2113 4 C 4.9016 8.7737 122.3256 57.7816 46.7493 174.1947 5 V 4.6588 7.2237 115.7372 60.8478 34.3661 172.9780 6 T 4.9198 8.9857 117.9442 60.9523 72.3215 174.4473 7 G 3.8239 7.7895 112.0272 45.7758 0.0000 171.6972 8 K 4.6961 7.9343 117.8962 54.9022 33.0131 176.7885 9 V 3.9621 8.0772 121.3954 62.4865 31.9322 176.0405 10 E 4.1590 8.8956 128.5637 59.3845 29.8358 176.0841 11 Y 4.9657 6.6709 114.2955 56.5851 41.0707 173.1818 12 T 5.0931 8.5338 109.2349 60.3353 72.7498 173.2405 13 K 4.3912 7.9388 122.6101 55.4123 35.9775 173.8953 14 Y 4.5566 8.7400 129.5849 57.4422 39.6888 174.6913 15 N 4.8023 8.4092 124.5382 51.6516 40.7106 175.7840 16 D 4.4156 8.8384 119.2648 57.0117 41.2629 176.3700 17 D 4.8055 7.9117 116.5085 52.9646 39.6360 176.0101 18 D 4.0064 7.7981 116.2134 55.8262 39.0985 173.4365 19 T 4.6741 7.7829 109.8077 60.3836 71.2163 173.1278 20 F 5.2873 8.8067 126.0948 57.0283 41.9136 174.1914 21 T 5.2558 8.4651 122.6992 62.0081 71.0009 173.8889 22 V 4.8113 8.6772 118.5962 59.3232 35.7035 174.5746 23 K 4.7018 8.1506 124.6070 54.6331 34.3840 175.2323 24 V 4.5314 8.0414 127.1487 61.9148 34.5326 174.9158 25 G 3.9021 8.6451 115.6535 46.4874 0.0000 173.4820 26 D 4.7836 8.6339 125.1903 52.8706 40.2169 176.2017 27 K 4.9250 7.5206 117.8981 55.0382 35.8135 174.7912 28 E 4.9950 9.7048 123.3986 55.1554 31.7639 175.2027 29 L 5.3783 8.8621 122.4278 53.2965 47.0382 174.9418 30 F 5.6498 8.9996 114.7831 55.7215 42.0811 173.3794 31 T 4.6877 9.1374 112.9375 59.2789 70.7851 173.7942 32 N 4.9442 8.6223 121.6872 52.5386 37.8994 174.9883 33 R 4.0674 7.6987 119.9313 55.8208 30.4108 177.3716 34 W 4.4598 8.8824 124.0677 60.0872 29.0191 178.1228 35 N 4.3208 8.4476 114.5028 56.2385 38.1406 176.4957 36 L 4.3436 7.7240 118.2670 56.2485 41.8986 178.9822 37 Q 3.0483 8.0415 119.4369 58.7977 28.5845 178.9238 38 S 4.0963 7.8079 114.5009 61.1595 63.1138 176.2670 39 L 3.8653 7.7555 122.3341 57.7103 41.4329 179.2440 40 L 4.2810 8.2871 119.1815 57.6170 41.5110 179.1709 41 L 4.1633 8.1447 120.4212 58.5577 42.0282 179.3735 42 S 4.1346 8.5592 115.1028 61.4168 62.5904 176.5106 43 A 4.1260 8.1872 123.6037 54.8386 17.5233 179.4641 44 Q 3.9895 8.1373 118.4112 59.3320 29.0482 178.1523 45 I 3.8358 7.9143 120.1796 63.7464 37.2156 177.4475 46 T 4.4795 7.8370 107.8805 60.6838 69.2690 175.3275 47 G 3.8869 7.6954 108.6303 46.3755 0.0000 173.6141 48 M 4.2532 7.6998 119.4508 55.9268 33.6164 175.0779 49 T 4.8078 8.4604 120.4495 62.4037 70.9004 174.1567 50 V 4.9126 8.8840 118.3358 59.8820 36.6034 174.4156 51 T 4.9097 8.3990 118.3762 61.8565 71.8112 173.1833 52 I 4.4086 8.3850 126.5132 59.3972 39.5400 174.6346 53 K 4.9295 8.0834 126.6823 54.7300 33.8292 176.0565 54 T 4.0983 7.8117 117.1603 62.0000 70.8885 172.6949 55 N 4.4248 8.8623 123.7254 55.5783 39.6792 176.1039 56 A 4.2826 7.6608 123.5529 51.2117 17.5928 177.6530 57 C 4.7249 7.5008 125.4404 54.1577 43.4978 171.6246 58 H 5.0126 7.1866 117.3385 53.4006 31.6293 173.5226 59 N 4.6828 8.6648 117.8613 55.3898 38.6760 175.9276 60 G 4.1312 8.8665 110.6922 45.2310 0.0000 174.1129 61 G 3.8752 7.4994 107.2894 45.9360 0.0000 173.3984 62 G 3.7219 8.1938 108.4029 44.6949 0.0000 172.6007 63 F 5.0707 7.8320 113.6174 56.0589 41.1867 175.0287 64 S 4.4415 8.7157 110.9717 57.6608 65.0942 173.1228 65 E 4.7918 8.2669 121.7738 54.8727 31.6163 175.0561 66 V 4.7529 8.3343 122.9081 61.1831 35.5357 174.1984 67 I 4.4303 8.2524 126.0022 59.4711 40.2151 174.4773 68 F 4.8093 8.7917 126.1500 56.5134 40.1636 176.1780 69 R 4.3428 8.8286 122.0296 56.3083 29.9798 175.7703 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 T 8.16 4.49 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 1.20 0.00 0.00 2 P 0.00 4.30 0.00 2.17 2.16 0.00 3.69 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 2.21 2.05 0.00 3 D 8.89 4.58 0.00 2.53 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.77 4.90 0.00 2.90 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 5 V 7.22 4.66 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.88 0.00 0.00 6 T 8.99 4.92 4.19 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 1.20 0.00 0.00 7 G 7.79 3.82 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 0.00 0.00 0.00 8 K 7.93 4.70 0.00 1.75 1.75 0.00 1.80 0.00 0.00 2.30 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.57 1.38 7.81 9 V 8.08 3.96 2.12 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 0.84 0.00 0.00 0.98 0.00 0.00 10 E 8.90 4.16 0.00 1.72 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.19 0.00 11 Y 6.67 4.97 0.00 3.02 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 12 T 8.53 5.09 3.65 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 0.00 0.00 0.00 1.46 0.00 0.00 13 K 7.94 4.39 0.00 1.82 1.62 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.49 1.39 7.81 14 Y 8.74 4.56 0.00 3.23 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 15 N 8.41 4.80 0.00 2.71 2.66 0.00 0.00 6.19 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 16 D 8.84 4.42 0.00 2.64 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 17 D 7.91 4.81 0.00 2.80 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 18 D 7.80 4.01 0.00 3.21 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 19 T 7.78 4.67 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 20 F 8.81 5.29 0.00 3.12 3.02 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 0.00 0.00 0.00 21 T 8.47 5.26 4.31 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 22 V 8.68 4.81 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 1.03 0.00 0.00 0.83 0.00 0.00 23 K 8.15 4.70 0.00 1.15 0.74 0.00 1.49 0.00 0.00 1.58 0.00 0.00 3.10 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.91 1.09 7.81 24 V 8.04 4.53 1.91 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 0.81 0.00 0.00 0.79 0.00 0.00 25 G 8.65 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.63 4.78 0.00 2.78 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 27 K 7.52 4.92 0.00 1.68 1.66 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.35 7.81 28 E 9.70 5.00 0.00 2.05 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 2.29 2.35 0.00 29 L 8.86 5.38 0.00 1.45 1.56 0.64 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 30 F 9.00 5.65 0.00 3.27 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 31 T 9.14 4.69 2.69 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 1.23 0.00 0.00 32 N 8.62 4.94 0.00 2.87 3.01 0.00 0.00 6.12 7.66 0.00 0.00 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 7.70 4.07 0.00 1.86 1.92 0.00 3.23 0.00 0.00 3.08 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 34 W 8.88 4.46 0.00 3.42 3.21 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 0.00 0.00 0.00 0.00 35 N 8.45 4.32 0.00 2.73 2.95 0.00 0.00 6.91 7.85 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 36 L 7.72 4.34 0.00 1.96 1.80 0.97 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 8.04 3.05 0.00 1.94 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 1.79 2.32 0.00 38 S 7.81 4.10 0.00 4.00 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 39 L 7.76 3.87 0.00 1.87 1.46 0.81 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.29 4.28 0.00 1.96 2.04 1.34 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.14 4.16 0.00 1.99 1.86 1.10 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.56 4.13 0.00 4.00 3.88 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 0.00 0.00 0.00 43 A 8.19 4.13 1.60 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 0.00 0.00 44 Q 8.14 3.99 0.00 2.25 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.74 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 45 I 7.91 3.84 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 1.61 0.70 0.93 0.00 0.00 46 T 7.84 4.48 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 1.25 0.00 0.00 47 G 7.70 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 48 M 7.70 4.25 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.67 0.00 49 T 8.46 4.81 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 1.25 0.00 0.00 50 V 8.88 4.91 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.82 0.00 0.00 51 T 8.40 4.91 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 1.12 0.00 0.00 52 I 8.39 4.41 1.53 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.33 0.21 0.00 0.00 53 K 8.08 4.93 0.00 1.63 1.69 0.00 1.79 0.00 0.00 1.80 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.30 7.81 54 T 7.81 4.10 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 1.20 0.00 0.00 55 N 8.86 4.42 0.00 2.73 2.86 0.00 0.00 6.93 7.35 0.00 0.00 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 A 7.66 4.28 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 57 C 7.50 4.72 0.00 2.90 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.19 5.01 0.00 3.36 3.35 0.00 5.73 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.66 4.68 0.00 2.78 2.88 0.00 0.00 7.06 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 60 G 8.87 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 7.50 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 62 G 8.19 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 63 F 7.83 5.07 0.00 3.15 2.96 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 64 S 8.72 4.44 0.00 3.86 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 65 E 8.27 4.79 0.00 2.11 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 2.31 2.28 0.00 66 V 8.33 4.75 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 -0.02 0.00 0.00 1.10 0.00 0.00 67 I 8.25 4.43 1.76 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.81 0.89 0.00 0.00 68 F 8.79 4.81 0.00 2.99 3.02 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 0.00 0.00 0.00 69 R 8.83 4.34 0.00 1.77 1.80 0.00 3.18 0.00 0.00 3.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00