NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3128 8.1631 117.3742 62.9403 69.8609 173.5084 2 G 3.5025 8.6264 115.7390 45.3982 0.0000 171.7204 3 A 4.4093 8.1350 124.2120 52.2151 21.3139 176.4587 4 G 4.3349 7.3192 108.4964 44.8171 0.0000 175.9487 5 T 3.8861 9.0816 121.7252 66.2127 68.1829 173.4568 6 P 4.3413 0.0000 0.0000 65.5389 30.9410 177.5777 7 S 4.4798 8.1816 113.0913 59.0990 62.5157 175.3715 8 Q 4.3428 8.0552 121.7448 57.1629 28.5347 178.0366 9 G 3.6260 7.5091 108.0615 48.1561 0.0000 174.6480 10 K 4.3386 7.9437 116.8261 56.6468 32.3658 178.1365 11 K 4.3958 7.3859 120.7634 55.1818 30.1661 176.2481 12 N 5.0607 7.8728 117.0365 52.5367 38.3953 175.1061 13 T 4.4966 7.9689 114.5673 63.1943 70.2334 174.2011 14 T 4.5082 8.3140 122.2288 62.2574 69.7136 172.6718 15 T 4.3122 7.5304 114.3642 63.0247 71.1438 172.9724 16 H 4.9217 8.0734 119.2087 55.2409 29.9906 174.7529 17 T 4.8232 9.5826 113.1482 59.1801 73.0531 172.9374 18 K 4.2026 8.8297 122.9710 57.5656 32.7258 175.4796 19 C 4.3141 9.2214 128.6733 58.7327 32.2865 174.6446 20 R 3.7592 8.3188 125.6620 58.7986 30.1778 177.4055 21 R 3.8084 7.3178 116.9772 57.6274 30.4186 176.3728 22 C 4.4602 7.9665 109.2590 57.3895 31.1465 174.7164 23 G 3.9259 7.9865 108.0150 45.0552 0.0000 173.3306 24 E 4.2615 7.6771 119.3455 54.9464 31.0430 176.7646 25 K 4.4939 8.1674 125.0725 56.1643 29.7566 176.6308 26 S 4.7944 7.7602 113.4765 58.1863 66.5635 174.3601 27 Y 4.7164 9.0769 124.3282 57.0583 39.5697 174.3557 28 H 4.4112 8.8213 128.7558 55.8992 29.7711 175.6197 29 T 3.2143 8.7567 122.4153 64.3614 67.1242 175.5742 30 K 4.1792 8.1457 119.8700 59.0036 32.5816 178.0650 31 K 4.0468 7.9389 115.8700 56.2907 32.3600 176.6008 32 K 3.2613 8.6774 118.8275 56.8465 29.9433 175.5107 33 V 4.7597 6.8125 116.5157 61.2840 34.9396 172.9575 34 C 5.1307 9.4391 128.4788 58.7984 32.0546 174.4159 35 S 4.3942 8.9257 122.1822 60.4456 63.3655 175.5351 36 S 4.4072 8.3276 115.4321 60.4669 62.6210 174.2717 37 C 4.5433 8.2407 112.2816 57.4920 30.5198 175.0058 38 G 4.0613 8.3456 109.3924 45.0814 0.0000 173.2657 39 F 4.4892 8.1200 122.5856 60.0360 39.6311 175.4435 40 G 3.9615 8.6944 115.4392 45.9189 0.0000 173.6329 41 K 4.3469 7.8882 118.1388 56.9892 34.0850 175.9188 42 S 4.7036 8.2884 111.2684 56.0819 65.2428 173.5772 43 A 4.1864 8.7246 129.8299 55.1059 18.5096 178.6391 44 K 4.2522 7.3440 112.5969 56.1528 32.7542 176.9494 45 R 4.3606 8.1870 120.4224 55.7191 30.9151 176.5676 46 R 3.8688 8.4947 125.0479 56.7626 30.4823 175.2347 47 D 4.5342 7.5266 123.2662 53.7490 43.9997 173.9533 48 Y 4.4784 8.6227 121.4984 55.9688 41.5194 176.4528 49 E 3.9826 8.5237 121.0714 58.5993 29.8752 178.5812 50 W 4.6382 7.5928 113.6843 57.2636 28.3977 176.6464 51 Q 4.4110 7.4527 117.7400 56.9476 28.2842 175.3681 52 S 4.7150 7.5478 111.0243 56.2485 66.5699 174.0054 53 K 4.0460 8.5753 119.9712 56.3299 32.4475 177.8967 54 A 4.0229 8.9230 126.2710 55.2881 18.2570 179.1699 55 G 4.1604 7.6939 102.7058 44.7675 0.0000 173.2151 56 E 4.2440 8.0414 125.7697 56.4082 29.9600 174.3062 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 4.31 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 2 G 8.63 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.13 4.41 1.28 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 0.00 0.00 0.00 4 G 7.32 4.33 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 0.00 5 T 9.08 3.89 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 6 P 0.00 4.34 0.00 2.26 2.31 0.00 3.58 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 2.23 2.05 0.00 7 S 8.18 4.48 0.00 4.16 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.06 4.34 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 9 G 7.51 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 K 7.94 4.34 0.00 1.76 1.85 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.45 7.81 11 K 7.39 4.40 0.00 1.89 1.78 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.37 7.81 12 N 7.87 5.06 0.00 2.77 2.83 0.00 0.00 6.29 7.71 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 13 T 7.97 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 1.20 0.00 0.00 14 T 8.31 4.51 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 15 T 7.53 4.31 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 1.13 0.00 0.00 16 H 8.07 4.92 0.00 3.08 3.48 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 9.58 4.82 4.34 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 1.32 0.00 0.00 18 K 8.83 4.20 0.00 1.79 1.82 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.78 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.52 7.81 19 C 9.22 4.31 0.00 3.15 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 20 R 8.32 3.76 0.00 1.56 1.53 0.00 3.17 0.00 0.00 3.12 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 21 R 7.32 3.81 0.00 0.67 1.32 0.00 3.25 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.32 0.00 22 C 7.97 4.46 0.00 3.07 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 23 G 7.99 3.93 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 0.00 0.00 0.00 24 E 7.68 4.26 0.00 1.95 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 2.39 2.27 0.00 25 K 8.17 4.49 0.00 1.80 1.78 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.52 7.81 26 S 7.76 4.79 0.00 3.86 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 27 Y 9.08 4.72 0.00 3.09 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 28 H 8.82 4.41 0.00 3.23 3.07 0.00 5.84 0.00 0.00 0.00 0.00 6.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.76 3.21 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 1.19 0.00 0.00 30 K 8.15 4.18 0.00 1.88 1.84 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.43 7.81 31 K 7.94 4.05 0.00 1.56 1.73 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.41 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.21 0.96 7.81 32 K 8.68 3.26 0.00 1.78 1.90 0.00 1.77 0.00 0.00 1.48 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.50 7.81 33 V 6.81 4.76 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 1.02 0.00 0.00 0.94 0.00 0.00 34 C 9.44 5.13 0.00 3.37 3.12 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 35 S 8.93 4.39 0.00 4.10 4.09 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 36 S 8.33 4.41 0.00 3.91 3.98 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 37 C 8.24 4.54 0.00 3.15 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 38 G 8.35 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 39 F 8.12 4.49 0.00 3.07 3.12 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 40 G 8.69 3.96 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 0.00 0.00 0.00 41 K 7.89 4.35 0.00 1.70 2.00 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.40 7.81 42 S 8.29 4.70 0.00 3.80 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 43 A 8.72 4.19 1.31 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 0.00 0.00 44 K 7.34 4.25 0.00 1.78 1.72 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.40 7.81 45 R 8.19 4.36 0.00 1.65 1.82 0.00 3.36 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 46 R 8.49 3.87 0.00 1.86 1.87 0.00 3.46 0.00 0.00 3.41 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 47 D 7.53 4.53 0.00 2.50 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 0.00 0.00 0.00 0.00 48 Y 8.62 4.48 0.00 1.43 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 49 E 8.52 3.98 0.00 2.05 2.03 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 2.38 2.25 0.00 50 W 7.59 4.64 0.00 3.46 3.20 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 0.00 51 Q 7.45 4.41 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.71 0.00 0.00 0.00 0.00 0.00 2.17 1.51 0.00 52 S 7.55 4.71 0.00 3.96 3.79 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 0.00 0.00 0.00 0.00 53 K 8.58 4.05 0.00 1.83 1.80 0.00 1.74 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.41 7.81 54 A 8.92 4.02 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 55 G 7.69 4.16 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 0.00 0.00 0.00 56 E 8.04 4.24 0.00 1.95 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 2.23 2.24 0.00