NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3128 8.1631 117.3743 62.9546 69.9002 173.4780 2 G 3.4801 8.5798 115.6393 45.2024 0.0000 171.9740 3 A 4.3508 8.1640 125.2069 52.8480 21.2610 176.1603 4 G 4.3466 7.4229 108.4413 44.7308 0.0000 175.6858 5 T 3.8850 9.1847 122.4599 65.9062 68.5578 174.0103 6 P 4.2804 0.0000 0.0000 65.6758 31.5120 177.7909 7 S 4.4836 8.1610 113.5946 59.5383 62.7507 175.5715 8 Q 4.2876 8.1551 119.9078 57.3532 28.8829 178.3824 9 G 3.6306 7.5385 105.8109 48.1257 0.0000 174.6399 10 K 4.3440 7.9458 116.8356 56.6066 32.2983 178.0890 11 K 4.3881 7.3804 120.6387 55.1357 30.1998 176.0854 12 N 5.0543 7.9604 117.7059 52.4469 38.3823 174.9650 13 T 4.4493 7.9478 114.8710 63.1144 70.0400 174.3139 14 T 4.3698 8.3727 123.0904 62.7294 69.1193 172.6667 15 T 4.3006 7.5681 115.1214 63.0433 71.3227 172.9715 16 H 4.9164 8.0600 119.3407 55.1290 30.0306 174.6537 17 T 4.8230 9.4263 113.1642 59.0521 73.0230 172.9613 18 K 4.3109 8.7754 123.0740 57.3665 32.7191 175.4919 19 C 4.2749 9.3815 128.9569 58.8184 32.2292 174.4195 20 R 3.7238 8.4115 126.4171 59.2783 30.0409 177.5253 21 R 3.7253 7.2199 116.8032 58.0068 30.1977 176.3200 22 C 4.5180 7.9710 109.3474 57.2496 31.2252 174.7733 23 G 3.9332 8.2144 108.5580 45.1375 0.0000 173.4476 24 E 4.2502 7.6718 119.1510 55.1312 31.0859 176.5625 25 K 4.6566 8.1693 124.8513 56.0943 29.7420 176.5152 26 S 4.7604 7.8886 114.4080 57.8542 66.6238 174.3748 27 Y 4.5985 8.8184 123.4480 57.3496 39.3833 174.3384 28 H 4.3885 8.9622 129.0176 56.1474 29.8210 175.6528 29 T 3.5697 8.8245 122.4654 64.3711 67.0837 175.3858 30 K 4.2136 8.1623 119.6828 58.8268 32.6775 177.9780 31 K 4.0435 7.9677 115.9657 56.2418 32.6457 176.5289 32 K 3.2432 8.5691 118.4390 56.8634 29.8721 175.5401 33 V 4.5690 6.6746 116.5457 61.2317 34.8977 172.9536 34 C 4.9679 9.3432 128.5182 58.7341 31.9790 174.2599 35 S 4.4406 8.8224 121.8718 60.0632 63.3676 175.1952 36 S 4.4819 8.2865 115.4315 60.2514 62.8867 174.2830 37 C 4.4827 8.2350 112.6168 57.6415 30.6170 175.0225 38 G 3.9813 8.3201 109.4266 44.8487 0.0000 173.1293 39 F 4.4412 8.1777 122.4037 60.1422 39.5951 175.1168 40 G 3.8576 8.7365 115.1101 46.0534 0.0000 173.8302 41 K 4.3472 8.1777 119.5010 57.2179 33.4191 176.4210 42 S 4.7050 7.6302 109.9119 56.1341 66.0811 173.6995 43 A 4.1648 8.7295 125.5716 55.2470 18.4510 178.8443 44 K 4.2248 7.7222 113.3159 56.2275 32.8217 176.8185 45 R 4.3491 8.2106 120.7906 55.7258 30.8627 176.5768 46 R 3.8518 8.7191 125.2416 56.8208 30.5708 175.2556 47 D 4.4470 7.3948 122.5266 53.8055 44.2873 174.1523 48 Y 4.5335 8.5561 121.7256 55.9386 41.7669 176.5475 49 E 4.0086 8.6213 122.2009 58.8613 29.8233 178.7533 50 W 4.5445 7.6646 113.6881 57.7908 28.4980 176.7809 51 Q 4.3569 7.4751 117.6150 57.2698 28.2351 175.4299 52 S 4.7333 7.5706 111.5493 56.1391 66.5671 173.9509 53 K 4.1140 8.4836 119.6530 56.2418 32.4663 178.0967 54 A 3.9943 8.8841 125.3057 55.4515 18.2829 178.8589 55 G 4.0954 7.9553 101.9979 45.2886 0.0000 173.2387 56 E 4.1772 8.0673 126.6077 56.1862 29.9072 174.6711 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 8.58 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 4.35 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 7.42 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 9.18 3.88 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 4.28 0.00 2.21 2.31 0.00 3.59 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 2.24 1.99 0.00 7 S 8.16 4.48 0.00 4.22 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 8 Q 8.16 4.29 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.80 0.00 0.00 0.00 0.00 0.00 2.55 2.45 0.00 9 G 7.54 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 7.95 4.34 0.00 1.76 1.85 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.45 7.81 11 K 7.38 4.39 0.00 1.88 1.77 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.45 7.81 12 N 7.96 5.05 0.00 2.77 2.83 0.00 0.00 6.30 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 7.95 4.45 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 1.20 0.00 0.00 14 T 8.37 4.37 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 7.57 4.30 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 16 H 8.06 4.92 0.00 3.09 3.49 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 9.43 4.82 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 1.32 0.00 0.00 18 K 8.78 4.31 0.00 1.79 1.81 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.51 7.81 19 C 9.38 4.27 0.00 3.17 2.88 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 20 R 8.41 3.72 0.00 1.57 1.52 0.00 3.22 0.00 0.00 3.12 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 21 R 7.22 3.73 0.00 0.67 1.33 0.00 3.21 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.31 0.00 22 C 7.97 4.52 0.00 3.06 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 23 G 8.21 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 7.67 4.25 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 4.66 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 3.03 0.00 0.00 0.00 0.00 1.47 1.52 7.81 26 S 7.89 4.76 0.00 3.87 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 27 Y 8.82 4.60 0.00 3.12 3.11 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 0.00 0.00 0.00 0.00 28 H 8.96 4.39 0.00 3.18 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 8.82 3.57 4.30 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 1.19 0.00 0.00 30 K 8.16 4.21 0.00 1.86 1.85 0.00 1.81 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 1.39 1.44 7.81 31 K 7.97 4.04 0.00 1.55 1.72 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.46 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.21 0.94 7.81 32 K 8.57 3.24 0.00 1.82 1.89 0.00 1.80 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.51 7.81 33 V 6.67 4.57 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 1.08 0.00 0.00 0.93 0.00 0.00 34 C 9.34 4.97 0.00 3.41 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 35 S 8.82 4.44 0.00 4.12 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 36 S 8.29 4.48 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 8.23 4.48 0.00 3.15 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 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 0.00 0.00 0.00 39 F 8.18 4.44 0.00 3.07 3.15 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 0.00 0.00 0.00 0.00 40 G 8.74 3.86 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 0.00 0.00 0.00 41 K 8.18 4.35 0.00 1.70 2.02 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.36 7.81 42 S 7.63 4.71 0.00 3.96 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 43 A 8.73 4.16 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.72 4.22 0.00 1.74 1.72 0.00 1.73 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 1.43 1.45 7.81 45 R 8.21 4.35 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 8.72 3.85 0.00 1.88 1.96 0.00 3.45 0.00 0.00 3.44 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 47 D 7.39 4.45 0.00 2.48 2.19 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 48 Y 8.56 4.53 0.00 1.43 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 49 E 8.62 4.01 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 2.26 0.00 50 W 7.66 4.54 0.00 3.45 3.22 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 0.00 0.00 0.00 0.00 51 Q 7.48 4.36 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.72 0.00 0.00 0.00 0.00 0.00 2.13 1.36 0.00 52 S 7.57 4.73 0.00 3.92 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 8.48 4.11 0.00 1.83 1.80 0.00 1.73 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 8.88 3.99 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 4.18 0.00 1.92 1.87 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 2.22 2.25 0.00