NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.4057 8.3344 115.2913 58.2046 63.6578 172.8529 7 L 4.3195 8.1658 127.0307 55.5861 43.9326 176.8427 8 Q 3.9413 8.9295 120.3321 59.1865 29.9075 177.2831 9 D 4.4034 7.9299 119.5956 57.0161 41.0092 177.1040 10 P 4.4060 0.0000 0.0000 65.9020 31.2283 177.7635 11 Y 3.9776 7.8450 119.2873 60.6748 38.7201 177.9744 12 L 3.7132 8.0953 120.1734 57.6726 41.4933 179.1076 13 N 4.5902 8.6437 117.4459 56.8686 38.8112 177.2184 14 T 3.8704 7.9435 117.4240 66.5116 68.5282 176.7187 15 L 3.8392 7.5770 120.8716 57.5702 41.5293 179.5613 16 R 4.3025 8.0734 120.2183 59.0615 29.9524 178.6880 17 K 3.9335 8.2445 117.4423 59.5032 32.1391 178.0259 18 E 4.2186 8.3142 115.2295 55.9575 29.7475 176.3486 19 R 3.7533 7.5951 117.1943 56.9232 28.3749 176.6901 20 V 3.8053 7.5295 116.8046 62.1311 32.4392 174.1621 21 P 4.6334 0.0000 0.0000 62.9408 32.4697 175.7446 22 V 4.9999 9.0723 116.6250 59.8586 36.8506 174.2694 23 S 5.0763 9.1521 118.2943 56.8305 65.9567 173.3922 24 I 4.8935 8.8198 125.3856 59.8469 39.7524 174.0789 25 Y 4.8727 9.0535 126.1239 56.8350 39.6020 175.9647 26 L 4.8652 9.0318 124.6749 53.7226 43.3335 178.5307 27 V 3.6843 8.8078 114.3956 63.9730 31.4928 177.2464 28 N 4.6705 8.2394 115.5295 52.4819 37.4112 175.9388 29 G 4.0584 8.2345 108.5050 45.3312 0.0000 174.3594 30 I 3.8725 8.0013 121.6500 61.3392 38.2821 174.8345 31 K 4.5049 8.5593 127.6491 54.6833 33.5489 175.0972 32 L 4.8198 8.6451 127.6007 53.0897 44.5578 175.5493 33 Q 4.9688 9.5625 120.0152 52.6988 32.4876 176.9023 34 G 4.1936 7.4493 109.9116 45.8805 0.0000 172.5074 35 Q 4.8132 8.3024 121.8941 54.4648 32.6339 174.1918 36 I 4.1475 8.3080 121.7808 61.4661 37.4972 176.1259 37 E 4.0932 9.2508 130.0002 58.7296 30.4193 175.9024 38 S 4.7465 7.6516 111.6688 58.0297 66.0302 173.1625 39 F 5.1536 7.7615 115.4347 56.3766 39.6026 173.2056 40 D 4.6278 8.5248 120.2920 52.4026 41.4855 175.4865 41 Q 3.8795 8.8834 118.0126 58.8899 29.2077 178.0407 42 F 5.0206 7.9511 111.5174 57.2385 41.3863 174.9699 43 V 5.0709 8.6401 113.1467 59.4771 36.2880 174.5545 44 I 5.0948 8.6620 121.9129 59.6071 41.2207 174.5239 45 L 4.7445 9.2422 129.3320 53.7477 43.5394 174.6329 46 L 4.9954 8.8248 129.9339 53.4427 44.1875 174.7395 47 K 4.9619 8.9006 128.0978 53.6201 34.5399 172.6820 48 N 4.8830 8.5413 129.1130 53.3270 42.9874 175.7025 49 T 4.0322 8.8808 104.7835 63.5972 68.8592 174.7222 50 V 4.3454 7.3400 120.1907 60.5740 34.3317 174.4804 51 S 4.7779 8.6095 122.0325 58.5996 63.2844 172.8259 52 Q 4.6441 8.7852 121.5700 55.3299 32.2058 172.5934 53 M 4.6676 8.5322 121.2086 54.5159 33.4770 175.0460 54 V 4.3955 8.9542 126.8641 61.1628 34.3301 174.3367 55 Y 4.3627 8.5091 125.6880 57.2649 38.7102 176.6856 56 K 4.0169 9.2148 125.3275 59.7532 32.3813 178.9542 57 H 4.2154 8.3312 112.6872 57.7154 28.6947 175.6318 58 A 4.5507 8.1407 122.2248 52.0471 19.3330 176.1658 59 I 4.6864 7.7386 118.0963 59.9774 38.8089 175.3197 60 S 4.7988 9.2487 120.1906 59.9386 64.3221 174.5528 61 T 4.7898 7.7898 109.6078 59.3900 72.4291 172.4335 62 V 4.7719 8.4944 122.8779 61.2561 33.9537 174.7202 63 V 4.5703 9.1139 128.6389 60.3012 33.8014 173.1682 64 P 5.0204 0.0000 0.0000 62.7174 31.8153 176.7921 65 S 4.5512 8.9840 116.0958 60.2575 63.5034 174.0026 66 R 4.6897 7.6119 115.2411 53.8578 32.1558 172.8372 67 P 4.4457 0.0000 0.0000 62.8783 31.8665 176.3057 68 V 4.5373 7.8445 113.2793 58.9973 35.6176 175.4505 69 R 4.0107 8.4555 121.7750 56.5399 30.4405 175.8828 70 L 4.8281 8.1638 124.5320 52.4255 43.7544 174.7774 71 P 4.4629 0.0000 0.0000 63.0213 31.2336 176.5210 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 6 S 8.33 4.41 0.00 3.85 3.85 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 7 L 8.17 4.32 0.00 1.80 1.57 0.91 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.93 3.94 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.68 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 9 D 7.93 4.40 0.00 2.80 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 10 P 0.00 4.41 0.00 2.31 2.35 0.00 3.67 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.17 0.00 11 Y 7.85 3.98 0.00 3.11 3.14 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 12 L 8.10 3.71 0.00 0.84 0.44 0.35 0.71 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 13 N 8.64 4.59 0.00 3.21 2.91 0.00 0.00 7.21 6.88 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 14 T 7.94 3.87 4.20 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 1.13 0.00 0.00 15 L 7.58 3.84 0.00 1.71 1.58 0.67 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.07 4.30 0.00 2.12 2.22 0.00 3.26 0.00 0.00 3.40 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 17 K 8.24 3.93 0.00 1.81 1.86 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.58 7.81 18 E 8.31 4.22 0.00 2.02 1.96 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 2.39 2.39 0.00 19 R 7.60 3.75 0.00 1.93 1.97 0.00 3.16 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 20 V 7.53 3.81 2.01 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 0.70 0.00 0.00 0.87 0.00 0.00 21 P 0.00 4.63 0.00 2.11 1.95 0.00 3.58 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 22 V 9.07 5.00 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 0.73 0.00 0.00 0.96 0.00 0.00 23 S 9.15 5.08 0.00 3.80 3.40 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 0.00 0.00 0.00 0.00 24 I 8.82 4.89 1.83 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 1.24 0.77 0.93 0.00 0.00 25 Y 9.05 4.87 0.00 2.96 2.91 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 26 L 9.03 4.87 0.00 1.79 1.75 0.94 0.88 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 27 V 8.81 3.68 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 0.73 0.00 0.00 0.97 0.00 0.00 28 N 8.24 4.67 0.00 2.83 2.93 0.00 0.00 6.26 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 29 G 8.23 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 0.00 0.00 0.00 30 I 8.00 3.87 1.98 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.81 0.90 0.00 0.00 31 K 8.56 4.50 0.00 1.55 1.56 0.00 1.55 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.96 0.27 7.81 32 L 8.65 4.82 0.00 1.58 1.46 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 9.56 4.97 0.00 1.83 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.18 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 34 G 7.45 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 0.00 0.00 0.00 0.00 35 Q 8.30 4.81 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 36 I 8.31 4.15 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.57 1.00 0.00 0.00 37 E 9.25 4.09 0.00 1.96 2.13 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 2.29 2.25 0.00 38 S 7.65 4.75 0.00 3.87 3.63 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.76 5.15 0.00 3.26 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 40 D 8.52 4.63 0.00 2.85 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 41 Q 8.88 3.88 0.00 1.81 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.90 0.00 0.00 0.00 0.00 0.00 1.16 1.96 0.00 42 F 7.95 5.02 0.00 3.28 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 43 V 8.64 5.07 1.94 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 0.46 0.00 0.00 0.93 0.00 0.00 44 I 8.66 5.09 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.03 0.99 0.00 0.00 45 L 9.24 4.74 0.00 1.72 1.75 0.90 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.82 5.00 0.00 1.78 1.50 0.98 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.90 4.96 0.00 2.02 1.62 0.00 1.57 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.38 7.81 48 N 8.54 4.88 0.00 2.72 1.81 0.00 0.00 7.20 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 49 T 8.88 4.03 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 1.20 0.00 0.00 50 V 7.34 4.35 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 51 S 8.61 4.78 0.00 3.92 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 52 Q 8.79 4.64 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.63 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 53 M 8.53 4.67 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.16 0.00 54 V 8.95 4.40 2.07 0.00 0.00 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 0.92 0.00 0.00 55 Y 8.51 4.36 0.00 2.94 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.21 4.02 0.00 2.03 1.95 0.00 1.87 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.50 1.52 7.81 57 H 8.33 4.22 0.00 3.28 3.54 0.00 5.51 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.14 4.55 1.43 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 0.00 0.00 0.00 59 I 7.74 4.69 2.03 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 0.94 1.01 0.00 0.00 60 S 9.25 4.80 0.00 3.83 4.01 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 61 T 7.79 4.79 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 1.18 0.00 0.00 62 V 8.49 4.77 2.22 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 0.90 0.00 0.00 0.98 0.00 0.00 63 V 9.11 4.57 2.30 0.00 0.00 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 1.06 0.00 0.00 64 P 0.00 5.02 0.00 2.31 2.01 0.00 3.94 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 65 S 8.98 4.55 0.00 3.89 4.08 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 0.00 0.00 0.00 0.00 66 R 7.61 4.69 0.00 1.89 1.89 0.00 3.04 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 67 P 0.00 4.45 0.00 2.07 2.04 0.00 3.62 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 68 V 7.84 4.54 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.87 0.00 0.00 69 R 8.46 4.01 0.00 1.77 1.83 0.00 3.22 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 70 L 8.16 4.83 0.00 1.71 1.63 0.95 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.46 0.00 2.07 2.01 0.00 3.80 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 2.32 2.19 0.00