NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5573 0.0000 0.0000 62.4191 33.6378 174.5713 2 F 5.2178 8.7273 123.4901 56.1576 42.3068 172.3020 3 I 4.2509 8.3682 126.7570 59.2014 40.8067 173.3330 4 N 5.1129 8.3870 124.9146 51.6588 41.2675 173.2756 5 I 4.5713 8.6237 126.7520 59.3643 40.3307 174.5798 6 K 5.2327 8.7518 125.8204 54.5176 34.7647 175.4007 7 L 4.8542 8.7577 124.2031 54.1418 44.6635 175.1550 8 V 5.1736 7.9214 119.7688 60.2375 32.2890 173.9723 9 P 4.5905 0.0000 0.0000 63.8491 32.2110 176.2803 10 E 4.5000 9.2230 118.7046 56.7476 34.3760 176.0164 11 N 4.0416 9.7202 116.9828 53.1919 34.5515 175.3605 12 G 4.0606 7.9887 108.5115 45.8270 0.0000 172.9395 13 G 3.9741 8.0036 109.5380 43.3841 0.0000 170.8353 14 P 4.9283 0.0000 0.0000 61.8846 32.7518 176.5951 15 T 4.3410 8.4577 111.6996 61.0299 71.4191 175.7241 16 N 4.4592 8.6860 120.3309 56.8228 38.4409 178.2515 17 E 4.0109 8.0821 119.5941 61.2488 29.9503 182.7156 18 Q 4.2372 7.8924 119.4398 58.6489 28.6443 179.0031 19 K 4.0535 8.3388 122.1113 60.1750 32.0119 180.0768 20 Q 4.0245 8.1196 121.0173 60.1766 27.9615 180.7394 21 Q 4.1997 8.0961 119.4280 58.7560 28.5950 178.8987 22 L 3.9425 8.0792 120.0887 57.8319 41.7955 179.2667 23 I 3.6653 7.8730 119.9224 64.7159 37.1026 178.3940 24 E 4.1119 8.4765 119.3659 59.1784 29.3216 179.5638 25 G 3.6161 8.2835 106.0060 47.7548 0.0000 175.9891 26 V 3.5806 8.0941 121.0560 65.7105 31.6925 178.2882 27 S 4.0987 7.8578 114.3912 61.8411 62.6411 176.3844 28 D 4.3817 8.5841 121.8285 57.3318 40.4446 178.6726 29 L 3.9378 7.9622 120.7896 58.3969 42.1456 178.9900 30 M 4.0345 7.8994 118.2096 58.4034 31.9139 178.9524 31 V 3.6889 7.6910 118.0112 65.7932 31.4694 178.0727 32 K 3.9404 8.1881 118.8842 59.2675 32.1541 178.4247 33 V 3.9703 7.9357 117.2555 64.0157 31.8644 176.3052 34 L 4.5557 7.5602 114.7187 53.3137 42.9692 175.3954 35 N 4.8129 7.9300 115.2803 53.2525 37.2129 173.7728 36 K 4.2216 7.7670 114.8176 55.5077 33.2642 176.7113 37 N 4.5645 8.4382 119.0021 52.5614 38.9445 175.4223 38 K 3.8587 8.8347 127.9812 59.4342 32.5630 178.5340 39 A 4.0298 8.0511 120.8652 54.9190 18.3566 177.9718 40 S 4.5155 7.6083 107.4312 58.6255 63.5290 174.0780 41 I 4.2424 7.4583 123.1147 61.3501 37.5556 175.4228 42 V 4.5233 8.6225 127.0410 61.0699 34.0667 174.4497 43 V 4.7732 8.3795 126.1816 61.1773 34.7318 174.4593 44 I 4.6669 8.5115 127.0715 59.6381 41.0839 174.0943 45 I 4.7676 8.5210 127.5381 59.7796 39.0682 174.5448 46 D 4.9191 9.3608 127.8904 52.6805 43.0396 175.3028 47 E 4.8278 8.8128 123.3018 55.0929 31.0115 175.4347 48 V 4.3897 8.8654 125.6836 60.6735 33.8305 174.8897 49 D 4.6897 8.7920 127.3119 54.2149 41.7855 177.1798 50 S 4.2069 8.6894 119.2312 60.8305 63.1469 175.3256 51 N 4.6477 9.5064 118.3636 54.1506 38.6260 175.2129 52 N 4.8344 8.2019 114.6610 52.8008 39.6210 173.6222 53 Y 4.5904 7.9755 120.6714 55.4366 40.9487 174.4234 54 G 4.5488 8.4011 115.1607 43.7352 0.0000 171.9355 55 L 4.5110 8.9032 123.0958 54.4092 45.1056 176.3936 56 G 3.9977 10.0359 113.4806 46.5557 0.0000 174.3995 57 G 3.9715 8.9348 110.8889 45.1435 0.0000 174.5011 58 E 4.8415 7.8440 114.8793 53.3152 33.6203 181.2227 59 S 4.8904 8.2022 114.6307 58.4092 65.2173 175.6383 60 V 3.6252 8.5561 123.5479 66.3094 31.2202 177.8247 61 H 4.2563 7.8037 117.3444 59.7030 29.8294 176.7282 62 H 4.7612 8.1000 118.9805 58.0720 28.6562 175.1698 63 L 3.9897 7.3408 120.9315 54.8461 40.5503 180.0318 64 R 4.2537 8.2417 122.3612 55.7556 31.0931 175.4215 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 P 0.00 4.56 0.00 2.11 2.06 0.00 3.53 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 2.02 2.11 0.00 2 F 8.73 5.22 0.00 3.02 2.90 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 3 I 8.37 4.25 1.68 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.35 0.77 0.00 0.00 4 N 8.39 5.11 0.00 2.47 2.59 0.00 0.00 6.96 7.94 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 5 I 8.62 4.57 1.84 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 1.18 0.57 0.90 0.00 0.00 6 K 8.75 5.23 0.00 1.65 1.77 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.20 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.41 7.81 7 L 8.76 4.85 0.00 1.66 1.71 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 8 V 7.92 5.17 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 0.89 0.00 0.00 0.62 0.00 0.00 9 P 0.00 4.59 0.00 1.97 2.08 0.00 3.79 0.00 0.00 3.94 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 10 E 9.22 4.50 0.00 1.84 1.74 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 2.15 2.12 0.00 11 N 9.72 4.04 0.00 2.80 2.74 0.00 0.00 6.77 7.51 0.00 0.00 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 G 7.99 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 13 G 8.00 3.97 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 0.00 0.00 0.00 14 P 0.00 4.93 0.00 2.18 2.04 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 15 T 8.46 4.34 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 16 N 8.69 4.46 0.00 2.83 2.91 0.00 0.00 6.92 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 17 E 8.08 4.01 0.00 1.97 1.95 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 2.31 1.97 0.00 18 Q 7.89 4.24 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 19 K 8.34 4.05 0.00 2.00 1.85 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.46 1.65 7.81 20 Q 8.12 4.02 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 21 Q 8.10 4.20 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 22 L 8.08 3.94 0.00 1.84 1.69 0.91 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.87 3.67 2.00 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 1.51 1.15 0.90 0.00 0.00 24 E 8.48 4.11 0.00 2.00 1.98 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 2.32 2.61 0.00 25 G 8.28 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.09 3.58 2.16 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 0.97 0.00 0.00 0.90 0.00 0.00 27 S 7.86 4.10 0.00 4.06 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 28 D 8.58 4.38 0.00 2.76 2.72 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 29 L 7.96 3.94 0.00 1.89 1.85 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 30 M 7.90 4.03 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.93 0.00 31 V 7.69 3.69 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 0.99 0.00 0.00 0.93 0.00 0.00 32 K 8.19 3.94 0.00 1.82 2.04 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.44 7.81 33 V 7.94 3.97 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 0.90 0.00 0.00 0.98 0.00 0.00 34 L 7.56 4.56 0.00 1.80 1.64 0.92 0.99 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 35 N 7.93 4.81 0.00 2.78 2.83 0.00 0.00 7.40 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 36 K 7.77 4.22 0.00 1.79 1.74 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.37 7.81 37 N 8.44 4.56 0.00 2.80 2.72 0.00 0.00 6.49 6.41 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 38 K 8.83 3.86 0.00 1.83 1.80 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.45 7.81 39 A 8.05 4.03 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 40 S 7.61 4.52 0.00 4.01 3.99 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 0.00 0.00 0.00 0.00 41 I 7.46 4.24 1.97 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 1.13 0.71 0.91 0.00 0.00 42 V 8.62 4.52 2.33 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 1.23 0.00 0.00 1.00 0.00 0.00 43 V 8.38 4.77 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 0.83 0.00 0.00 0.88 0.00 0.00 44 I 8.51 4.67 1.96 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.75 0.98 0.00 0.00 45 I 8.52 4.77 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.54 0.91 0.00 0.00 46 D 9.36 4.92 0.00 2.56 2.60 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 47 E 8.81 4.83 0.00 1.86 1.90 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 2.26 2.30 0.00 48 V 8.87 4.39 2.26 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 1.04 0.00 0.00 1.00 0.00 0.00 49 D 8.79 4.69 0.00 2.74 2.70 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 50 S 8.69 4.21 0.00 4.06 4.12 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 51 N 9.51 4.65 0.00 2.75 2.88 0.00 0.00 6.85 7.88 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 52 N 8.20 4.83 0.00 2.83 2.84 0.00 0.00 6.68 7.47 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 53 Y 7.98 4.59 0.00 2.98 2.68 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 0.00 0.00 0.00 0.00 54 G 8.40 4.55 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 55 L 8.90 4.51 0.00 1.75 1.53 0.96 1.01 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 56 G 10.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.93 3.97 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 0.00 0.00 0.00 58 E 7.84 4.84 0.00 1.89 1.77 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 2.12 2.07 0.00 59 S 8.20 4.89 0.00 4.03 3.94 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 60 V 8.56 3.63 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 0.73 0.00 0.00 0.80 0.00 0.00 61 H 7.80 4.26 0.00 3.28 3.29 0.00 5.81 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.10 4.76 0.00 3.26 3.35 0.00 5.77 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.34 3.99 0.00 1.69 1.55 0.92 0.85 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 64 R 8.24 4.25 0.00 1.73 1.77 0.00 3.19 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.79 0.00