NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4378 8.2644 123.5823 52.1135 19.8635 176.0343 2 R 4.0992 9.3122 120.9810 55.8111 33.9377 172.7395 3 Q 3.2967 9.6242 127.0353 57.2406 28.0594 174.7075 4 E 4.1963 7.9206 116.4516 56.5708 28.7711 176.7511 5 N 4.9060 8.0905 120.8926 49.7507 39.5415 172.4844 6 P 4.3645 0.0000 0.0000 62.3942 32.3260 177.3610 7 C 4.4011 8.6705 119.0379 56.9844 40.7750 173.4819 8 G 4.0328 8.3757 112.3540 43.1541 0.0000 171.7878 9 P 4.2509 0.0000 0.0000 63.2624 31.7389 176.8710 10 C 4.3198 8.6496 120.8521 60.3322 40.8184 175.2655 11 S 4.2053 7.2605 116.5913 57.5610 62.5746 175.5710 12 E 3.7638 8.5690 125.0813 57.0589 28.0918 175.3902 13 R 4.6822 8.9520 122.6795 58.3470 37.6035 177.1572 14 R 3.4350 8.0945 112.6563 59.1918 29.5203 177.6696 15 K 4.3918 7.2032 118.9263 56.4168 29.5122 177.3137 16 H 4.4528 7.7711 117.0856 58.0920 29.6977 177.2841 17 L 4.2165 8.0867 118.8475 56.6355 41.8580 176.4269 18 F 5.1220 8.0400 117.6741 56.6994 40.1515 175.7083 19 V 4.6783 8.8063 115.0447 59.6832 35.3032 174.4186 20 Q 4.9629 8.3820 122.4460 54.1317 32.4181 174.1490 21 D 4.5757 8.9878 126.5402 53.6719 41.6774 175.5452 22 P 4.3528 0.0000 0.0000 65.0692 31.9810 177.2327 23 Q 4.3098 8.3767 115.9479 57.8101 29.4044 176.5305 24 T 4.2312 8.4984 107.7825 60.5311 69.6422 174.9092 25 C 4.3709 8.1255 118.3301 57.7125 39.4635 172.6970 26 K 4.4284 7.4879 120.3029 56.3641 32.7241 175.4141 27 C 5.4244 8.8207 122.0124 55.7428 42.8605 173.3552 28 S 4.8422 8.9222 117.2167 56.9998 67.2496 173.0493 29 C 4.4619 8.4368 120.4892 56.3105 40.9453 174.2725 30 K 4.0043 8.4751 124.1549 59.4995 31.8462 177.7971 31 N 4.5560 7.7484 115.5511 53.5228 39.7977 174.1705 32 T 4.7134 7.8700 112.4062 59.2178 73.4424 174.6645 33 D 4.3821 8.5889 121.5632 57.2767 40.8159 179.2922 34 S 4.0832 7.9527 114.4939 61.4792 62.5872 176.4508 35 R 3.8922 7.9947 122.1411 59.1099 29.7917 178.3877 36 C 4.2976 8.2174 116.0160 59.9509 41.2882 176.1369 37 K 3.9925 8.7363 122.6999 58.9323 31.5515 178.6666 38 A 4.0399 8.0066 119.9381 54.3712 18.2715 178.7324 39 R 4.3211 7.2334 113.4516 55.0029 31.0984 176.1423 40 Q 3.5021 8.1813 116.5270 56.9635 26.2420 171.9755 41 L 4.9282 8.0540 116.6466 53.5682 47.3020 176.0040 42 E 4.6909 8.9780 117.8449 54.6327 34.2971 174.9196 43 L 4.5562 8.4523 123.3769 54.7041 43.1810 175.9692 44 N 4.7116 9.0971 126.0690 52.4171 38.9980 175.3757 45 E 4.1434 8.8749 126.0020 58.1517 29.9639 179.0582 46 R 4.2087 8.0367 118.9779 59.1947 30.3418 177.9325 47 T 4.2982 7.9413 105.2832 61.6121 70.0682 174.9720 48 C 4.1148 8.3550 118.9703 58.5402 37.8018 172.3946 49 R 4.8429 7.4578 116.8524 54.5221 34.0337 177.0798 50 C 5.1248 8.6494 118.7313 56.3472 42.3853 172.7359 51 D 5.0497 8.9420 122.9389 50.6559 43.0285 175.0462 52 K 4.2541 8.6963 117.7386 56.0708 32.7315 175.5616 53 P 4.3138 0.0000 0.0000 62.9226 31.7462 177.7381 54 R 4.3153 8.2916 126.7049 53.9623 28.7181 176.7044 55 R 4.1350 7.4233 120.9922 56.7449 29.9415 174.2216 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 A 8.26 4.44 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 2 R 9.31 4.10 0.00 1.73 1.76 0.00 3.42 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 3 Q 9.62 3.30 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.99 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 4 E 7.92 4.20 0.00 2.00 1.93 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 2.31 2.27 0.00 5 N 8.09 4.91 0.00 2.65 2.70 0.00 0.00 7.38 8.02 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 6 P 0.00 4.36 0.00 2.04 2.00 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 7 C 8.67 4.40 0.00 2.97 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 8 G 8.38 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.25 0.00 2.20 2.02 0.00 3.68 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 10 C 8.65 4.32 0.00 2.85 3.07 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 0.00 0.00 0.00 0.00 11 S 7.26 4.21 0.00 3.06 3.41 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 12 E 8.57 3.76 0.00 2.02 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 13 R 8.95 4.68 0.00 1.78 1.87 0.00 3.15 0.00 0.00 3.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 14 R 8.09 3.43 0.00 1.85 2.04 0.00 2.98 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 15 K 7.20 4.39 0.00 1.56 1.41 0.00 1.47 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.90 1.47 7.81 16 H 7.77 4.45 0.00 3.18 3.39 0.00 5.72 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.09 4.22 0.00 1.90 1.73 1.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.04 5.12 0.00 2.84 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 19 V 8.81 4.68 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 0.67 0.00 0.00 0.98 0.00 0.00 20 Q 8.38 4.96 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 7.07 0.00 0.00 0.00 0.00 0.00 2.24 2.45 0.00 21 D 8.99 4.58 0.00 2.78 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 4.35 0.00 2.22 2.17 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 23 Q 8.38 4.31 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 24 T 8.50 4.23 4.25 0.00 0.00 0.00 0.00 0.00 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 25 C 8.13 4.37 0.00 3.19 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.49 4.43 0.00 1.58 1.75 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.58 1.57 7.81 27 C 8.82 5.42 0.00 2.99 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 28 S 8.92 4.84 0.00 3.71 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.44 4.46 0.00 2.67 2.71 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 0.00 0.00 0.00 0.00 30 K 8.48 4.00 0.00 1.82 1.85 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.46 7.81 31 N 7.75 4.56 0.00 2.62 2.72 0.00 0.00 6.92 7.74 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 32 T 7.87 4.71 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 1.22 0.00 0.00 33 D 8.59 4.38 0.00 2.69 2.85 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 34 S 7.95 4.08 0.00 4.03 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 35 R 7.99 3.89 0.00 2.04 2.01 0.00 3.11 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 36 C 8.22 4.30 0.00 3.09 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.74 3.99 0.00 1.97 1.94 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.31 7.81 38 A 8.01 4.04 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.23 4.32 0.00 1.96 1.95 0.00 3.31 0.00 0.00 3.22 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.79 0.00 40 Q 8.18 3.50 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 41 L 8.05 4.93 0.00 1.65 1.68 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.98 4.69 0.00 1.82 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 2.21 2.37 0.00 43 L 8.45 4.56 0.00 1.65 1.78 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 44 N 9.10 4.71 0.00 3.04 2.85 0.00 0.00 6.92 8.17 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 45 E 8.87 4.14 0.00 2.03 2.02 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 2.30 2.33 0.00 46 R 8.04 4.21 0.00 1.89 2.02 0.00 3.26 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 47 T 7.94 4.30 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 1.25 0.00 0.00 48 C 8.35 4.11 0.00 2.87 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 49 R 7.46 4.84 0.00 1.75 1.80 0.00 3.14 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 50 C 8.65 5.12 0.00 2.85 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 51 D 8.94 5.05 0.00 2.65 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.70 4.25 0.00 1.66 1.80 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.41 7.81 53 P 0.00 4.31 0.00 2.17 2.08 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 54 R 8.29 4.32 0.00 1.82 1.94 0.00 3.39 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.56 0.00 55 R 7.42 4.14 0.00 1.72 1.72 0.00 3.43 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00