NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4123 8.1233 122.4626 51.7935 20.9181 175.1389 3 K 4.8937 8.3171 117.2187 54.2229 36.2833 173.9215 4 L 5.1531 9.1292 122.9789 53.1198 46.4668 175.2605 5 S 4.7423 8.9456 118.7959 57.3714 63.9215 172.7098 6 C 3.3511 8.6148 127.8515 58.8420 31.6601 174.7988 7 K 3.8849 8.7492 126.5440 58.7596 31.8301 177.9276 8 I 4.2201 7.4187 117.3271 61.5586 38.0927 174.2335 9 C 4.6415 7.2469 113.5156 57.1080 32.2129 173.8535 10 G 3.8053 8.5694 106.9609 46.7500 0.0000 173.4228 11 Y 4.3932 7.9112 122.0691 57.8370 40.2786 174.5946 12 I 4.8635 7.1857 124.8623 59.5409 40.5827 174.2045 13 Y 4.2480 9.2270 129.6996 56.8275 39.8794 173.4238 14 D 4.7702 7.8428 127.2769 52.3920 42.6575 176.5357 15 E 3.9243 8.8688 126.5640 59.7133 30.0963 179.2718 16 D 4.3844 8.7916 118.3257 56.1943 41.1954 177.1035 17 E 4.1234 8.0870 118.4840 56.1246 30.5413 177.9215 18 G 4.1556 7.6519 106.3218 45.2180 0.0000 172.4922 19 D 5.0428 8.4777 111.7623 52.2522 41.5756 175.3773 20 P 4.4734 0.0000 0.0000 65.5556 32.1986 179.1519 21 D 4.3855 8.2481 117.4435 56.4415 41.2753 176.1532 22 N 4.7871 8.4404 114.0496 52.9235 38.8381 175.0385 23 G 3.8941 8.3203 105.9111 45.5407 0.0000 173.5424 24 I 4.3952 7.8002 121.0441 58.9835 38.4418 175.8816 25 S 4.6344 8.4283 121.8305 57.3419 63.4988 172.2505 26 P 4.2712 0.0000 0.0000 64.6080 31.4392 177.1089 27 G 3.9174 8.8179 110.2949 45.4170 0.0000 173.6608 28 T 4.1058 7.3154 117.5082 62.7601 68.8938 174.9930 29 K 4.3949 8.4695 126.1534 55.9250 33.1999 177.7177 30 F 3.7648 9.7383 124.6447 61.5347 38.9683 177.5822 31 E 3.9062 8.2966 115.4659 58.8925 29.3257 177.7210 32 D 4.5596 7.6315 117.2702 53.1312 41.8008 176.7462 33 L 3.7575 6.7002 120.9441 53.5149 42.1804 175.4532 34 P 4.4128 0.0000 0.0000 62.5681 31.9233 177.0364 35 D 4.3100 8.6461 119.5846 57.1250 40.8252 176.8283 36 D 4.8578 7.7602 117.0683 52.8309 40.1444 176.1771 37 W 4.1207 8.1080 130.2631 58.2858 31.2562 175.3897 38 V 4.2312 6.6582 116.9116 58.6540 35.2697 174.8479 39 C 3.6194 8.5350 121.9909 59.1717 31.6030 173.2866 40 P 4.0807 0.0000 0.0000 64.9092 31.3158 177.2315 41 L 4.3007 7.6038 118.1068 56.0670 42.3049 176.8726 42 C 4.5910 7.7046 109.8351 57.0199 30.6177 175.1707 43 G 3.7678 8.1678 108.4325 45.8709 0.0000 174.2825 44 S 4.3121 7.3115 116.8100 57.4113 63.5509 172.5387 45 P 4.9207 0.0000 0.0000 61.5861 32.7272 177.1384 46 K 4.2811 8.8535 117.3364 59.7391 31.9157 179.5514 47 S 4.4166 8.3121 111.7919 60.4831 63.1325 174.4552 48 E 4.5700 8.7818 120.7546 56.1556 29.4570 174.7625 49 F 5.1780 8.2506 117.9240 55.8576 41.2814 174.9550 50 E 4.6960 8.8494 122.0823 54.1288 33.2894 174.8151 51 R 4.5069 8.7159 125.0286 56.9131 30.7259 175.7262 52 I 4.7249 8.3409 115.2956 58.6698 41.3621 175.2746 53 E 4.1124 8.6499 120.7964 56.8223 29.3283 177.1548 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 2 A 8.12 4.41 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 3 K 8.32 4.89 0.00 1.72 1.61 0.00 1.56 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.49 7.81 4 L 9.13 5.15 0.00 1.74 1.55 0.89 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.95 4.74 0.00 3.87 3.68 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 6 C 8.61 3.35 0.00 2.82 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.75 3.88 0.00 1.69 1.81 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.54 7.81 8 I 7.42 4.22 1.83 0.00 0.00 0.84 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 0.79 0.89 0.00 0.00 9 C 7.25 4.64 0.00 2.94 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 10 G 8.57 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.91 4.39 0.00 3.19 3.01 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 0.00 0.00 0.00 0.00 12 I 7.19 4.86 1.68 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.87 0.82 0.00 0.00 13 Y 9.23 4.25 0.00 3.47 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 14 D 7.84 4.77 0.00 2.67 2.29 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.87 3.92 0.00 1.93 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 0.00 2.70 2.54 0.00 16 D 8.79 4.38 0.00 2.68 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 17 E 8.09 4.12 0.00 1.90 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 2.36 2.32 0.00 18 G 7.65 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 19 D 8.48 5.04 0.00 3.31 2.91 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 20 P 0.00 4.47 0.00 2.30 2.34 0.00 3.87 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.00 0.00 21 D 8.25 4.39 0.00 2.71 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.44 4.79 0.00 3.13 2.82 0.00 0.00 7.60 7.62 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 23 G 8.32 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 0.00 0.00 0.00 24 I 7.80 4.40 2.22 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.37 0.94 0.00 0.00 25 S 8.43 4.63 0.00 3.90 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 26 P 0.00 4.27 0.00 2.03 2.14 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.26 0.00 27 G 8.82 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 0.00 0.00 0.00 28 T 7.32 4.11 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 1.13 0.00 0.00 29 K 8.47 4.39 0.00 1.82 1.76 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.44 7.81 30 F 9.74 3.76 0.00 3.05 3.04 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 31 E 8.30 3.91 0.00 2.13 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 0.00 2.28 2.38 0.00 32 D 7.63 4.56 0.00 2.71 2.66 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 0.00 0.00 0.00 0.00 33 L 6.70 3.76 0.00 0.96 0.89 -1.31 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.41 0.00 2.39 2.16 0.00 3.57 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 2.17 2.02 0.00 35 D 8.65 4.31 0.00 2.67 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 36 D 7.76 4.86 0.00 2.76 2.74 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 0.00 0.00 0.00 37 W 8.11 4.12 0.00 3.17 3.06 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 38 V 6.66 4.23 1.97 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 0.61 0.00 0.00 0.63 0.00 0.00 39 C 8.53 3.62 0.00 3.19 2.93 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 40 P 0.00 4.08 0.00 1.95 1.99 0.00 2.79 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.65 0.00 41 L 7.60 4.30 0.00 1.65 1.75 1.08 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 42 C 7.70 4.59 0.00 3.03 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 43 G 8.17 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 0.00 0.00 0.00 44 S 7.31 4.31 0.00 3.97 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 4.92 0.00 2.30 2.24 0.00 3.77 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 2.16 2.03 0.00 46 K 8.85 4.28 0.00 1.91 1.99 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.74 7.81 47 S 8.31 4.42 0.00 4.06 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 48 E 8.78 4.57 0.00 2.22 1.96 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 2.33 2.44 0.00 49 F 8.25 5.18 0.00 3.27 2.92 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 50 E 8.85 4.70 0.00 2.04 1.68 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 2.18 2.29 0.00 51 R 8.72 4.51 0.00 1.69 1.82 0.00 3.47 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 52 I 8.34 4.72 1.85 0.00 0.00 0.83 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 0.63 0.94 0.00 0.00 53 E 8.65 4.11 0.00 1.96 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 0.00 2.30 2.29 0.00