NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.4429 8.1576 120.1332 56.9904 34.7363 173.8185 2 S 4.8473 8.3999 115.2548 56.6860 64.9911 172.8547 3 C 5.0493 9.8926 120.6034 55.4880 40.3060 173.6314 4 C 5.6318 9.2039 120.7471 54.3935 43.1470 173.7683 5 P 4.0493 0.0000 0.0000 64.9127 31.4616 175.9701 6 N 4.6462 7.4693 114.9866 51.0857 40.8557 175.2316 7 T 3.8574 8.2921 116.7055 67.0186 68.4854 176.6103 8 T 3.9789 8.0987 117.3161 66.8470 68.4216 176.5217 9 G 3.6291 8.7010 107.5631 47.8889 0.0000 175.6987 10 R 3.9659 8.0774 121.4224 59.0775 30.0573 178.0646 11 N 4.3192 8.5912 116.7337 56.6817 38.5410 177.4545 12 I 3.7284 7.7335 120.6826 64.4323 37.1322 177.8504 13 Y 4.0129 8.4360 120.7689 60.7966 38.6503 177.9600 14 N 4.3076 8.5800 117.2045 56.3545 38.4819 177.2274 15 A 3.9803 7.9262 120.8713 55.2499 18.7926 178.5224 16 C 4.2855 8.4252 117.2575 59.9992 44.2702 176.1441 17 R 3.6342 7.9569 119.7825 59.0132 29.3274 178.9737 18 L 4.0132 7.7339 118.1586 57.2307 41.6663 178.6801 19 T 4.1737 7.4843 108.0219 62.2882 69.1235 175.5522 20 G 3.8497 8.0678 110.4447 45.1092 0.0000 173.8107 21 A 4.1355 7.0801 120.9598 50.9491 19.1993 176.7508 22 P 4.3965 0.0000 0.0000 62.4453 33.3228 178.0844 23 R 3.9894 8.6202 120.2284 59.3056 30.1039 177.7216 24 P 4.3179 0.0000 0.0000 65.6306 31.2277 178.9233 25 T 3.9027 7.8216 114.3105 66.9209 68.6598 177.3224 26 C 4.2525 8.2647 118.2199 59.7878 40.9294 176.1299 27 A 4.1617 8.5948 122.7983 55.3357 17.8374 179.9063 28 K 4.0050 8.0179 115.6848 59.4777 32.1538 179.0856 29 L 4.1637 8.2149 120.3310 57.1589 42.2915 178.1001 30 S 4.6586 8.2174 112.8401 57.7460 63.6259 175.8704 31 G 4.0439 8.1776 109.9126 45.6430 0.0000 172.5855 32 C 5.1097 7.9549 117.4205 55.9206 39.5279 172.7208 33 K 4.7428 9.0447 118.4247 55.4965 36.0291 175.0936 34 I 4.9323 8.2232 121.7873 59.6812 38.8755 175.0353 35 I 4.7375 8.6224 119.9537 59.2533 40.1822 175.5697 36 S 4.4702 8.7595 116.1511 58.6886 64.0530 174.5490 37 G 3.9699 7.6875 109.5328 45.0116 0.0000 172.6661 38 S 4.4923 8.5023 113.0759 58.8730 64.0512 174.3602 39 T 4.4964 7.5926 116.9183 61.4721 69.5220 175.0954 40 C 4.4740 8.6277 124.6971 55.8399 42.3660 172.0443 41 P 4.5841 0.0000 0.0000 62.5959 31.4804 177.6078 42 S 4.2055 8.6068 114.3262 60.7378 63.2609 174.6158 43 D 4.6199 8.1491 119.3527 53.8989 40.3788 175.3612 44 Y 4.9258 7.8711 116.8340 56.3599 38.1541 173.5675 45 P 4.5941 0.0000 0.0000 63.0164 32.9615 177.1456 46 K 4.1777 8.6672 125.3205 56.7383 32.3003 175.7773 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 K 8.16 4.44 0.00 1.83 2.01 0.00 1.44 0.00 0.00 1.91 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.41 7.81 2 S 8.40 4.85 0.00 3.10 3.43 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 3 C 9.89 5.05 0.00 2.70 3.23 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 0.00 4 C 9.20 5.63 0.00 2.83 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 5 P 0.00 4.05 0.00 1.96 1.61 0.00 3.43 0.00 0.00 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.86 0.00 6 N 7.47 4.65 0.00 2.93 2.88 0.00 0.00 6.30 7.22 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 7 T 8.29 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 1.22 0.00 0.00 8 T 8.10 3.98 4.41 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 1.22 0.00 0.00 9 G 8.70 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 0.00 0.00 0.00 10 R 8.08 3.97 0.00 1.96 2.10 0.00 3.23 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 11 N 8.59 4.32 0.00 3.01 2.89 0.00 0.00 7.07 7.15 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 12 I 7.73 3.73 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.83 0.95 0.00 0.00 13 Y 8.44 4.01 0.00 3.08 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 14 N 8.58 4.31 0.00 2.90 2.88 0.00 0.00 6.96 7.37 0.00 0.00 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 A 7.93 3.98 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 16 C 8.43 4.29 0.00 2.98 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 17 R 7.96 3.63 0.00 1.76 1.81 0.00 3.27 0.00 0.00 2.84 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.13 0.00 18 L 7.73 4.01 0.00 1.76 1.71 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 19 T 7.48 4.17 4.21 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 1.21 0.00 0.00 20 G 8.07 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 0.00 0.00 0.00 21 A 7.08 4.14 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.40 0.00 2.17 1.98 0.00 3.60 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 2.10 2.17 0.00 23 R 8.62 3.99 0.00 1.92 2.17 0.00 3.18 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.78 0.00 24 P 0.00 4.32 0.00 2.17 2.12 0.00 3.57 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 25 T 7.82 3.90 4.42 0.00 0.00 0.00 0.00 0.00 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 26 C 8.26 4.25 0.00 2.88 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 27 A 8.59 4.16 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.02 4.01 0.00 1.90 1.92 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.64 7.81 29 L 8.21 4.16 0.00 1.77 1.86 0.93 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.22 4.66 0.00 4.46 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 0.00 31 G 8.18 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 C 7.95 5.11 0.00 2.79 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 33 K 9.04 4.74 0.00 1.52 1.49 0.00 0.61 0.00 0.00 0.70 0.00 0.00 2.50 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.93 1.11 7.81 34 I 8.22 4.93 1.85 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 1.41 0.95 0.95 0.00 0.00 35 I 8.62 4.74 1.81 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 1.35 0.62 0.79 0.00 0.00 36 S 8.76 4.47 0.00 3.98 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 37 G 7.69 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 38 S 8.50 4.49 0.00 3.85 3.91 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 39 T 7.59 4.50 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 1.21 0.00 0.00 40 C 8.63 4.47 0.00 2.97 3.24 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 0.00 41 P 0.00 4.58 0.00 2.57 2.20 0.00 3.67 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.88 0.00 42 S 8.61 4.21 0.00 4.01 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 43 D 8.15 4.62 0.00 2.74 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 44 Y 7.87 4.93 0.00 2.85 2.77 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 45 P 0.00 4.59 0.00 2.17 2.16 0.00 3.93 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 46 K 8.67 4.18 0.00 1.79 1.70 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.39 7.81