NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5449 8.3644 120.1925 54.2189 41.9725 175.3520 2 R 4.2557 8.1516 127.2402 54.5196 30.7889 172.7249 3 I 4.1497 8.7546 127.0000 60.4040 36.7005 175.8925 4 C 4.9951 7.8482 121.8617 56.3436 41.0946 174.5539 5 T 4.3461 7.7605 116.0365 63.4006 68.9376 173.6931 6 N 5.1155 8.0193 120.4597 51.2846 40.8702 175.8819 7 C 3.9771 8.5154 117.9415 59.4546 44.0678 176.1674 8 C 4.0834 7.5816 116.2613 59.4624 43.1708 174.2236 9 A 3.9590 8.2905 119.7862 52.9625 18.2881 177.7139 10 G 3.1602 7.3898 105.6240 45.0817 0.0000 172.9526 11 T 4.8980 8.8339 116.6353 60.9070 70.4987 174.1234 12 K 4.7967 8.2578 127.2341 57.7197 32.5554 175.3957 13 G 4.1717 9.4365 113.9276 45.2095 0.0000 172.8632 14 C 4.8810 8.1922 117.1793 55.0431 41.0441 173.4706 15 K 4.7845 8.9003 123.8801 56.1345 33.3210 175.8514 16 Y 4.5918 9.2570 124.8460 57.1277 38.6988 174.4235 17 F 5.4630 9.2613 127.4321 56.1868 43.1396 174.0054 18 S 4.6190 8.5213 119.7663 56.6121 64.5691 175.0106 19 D 4.0222 8.1153 121.4030 55.2997 39.3591 177.1502 20 D 4.3139 7.5709 119.0253 54.6487 39.6838 176.6647 21 G 4.4781 7.6739 110.1291 46.2093 0.0000 173.4576 22 T 4.7012 7.4939 114.6077 61.0407 71.4192 173.4436 23 F 4.8943 9.0144 128.1875 58.0745 39.4641 174.8732 24 V 3.8598 7.8565 129.3567 64.3221 31.3526 173.2626 25 C 4.2661 6.9938 112.3225 54.2336 44.4494 171.9011 26 E 5.0143 8.9043 121.5144 54.9860 31.2267 175.7646 27 G 3.8297 9.1679 111.7114 47.1609 0.0000 174.1067 28 E 4.3429 8.9530 125.4536 57.2126 30.4299 176.8627 29 S 4.5943 7.3534 114.3646 56.9051 64.3900 172.7716 30 D 4.9084 8.4737 125.2790 52.5622 41.8426 175.0850 31 P 4.5156 0.0000 0.0000 64.5346 31.7146 177.4378 32 R 3.9971 8.7924 120.7040 59.0830 30.1402 176.2845 33 N 4.6773 7.4005 113.3678 50.6295 38.4082 173.2880 34 P 4.2885 0.0000 0.0000 62.9810 30.0532 174.9376 35 K 4.2839 8.3420 124.0402 56.1274 33.4255 177.5639 36 A 4.5531 8.0846 126.6459 50.3201 18.8402 175.5648 37 C 4.6277 8.0157 119.3314 55.5486 41.7643 173.9434 38 T 4.1595 8.1143 117.3840 64.1857 68.5018 174.1201 39 L 4.5635 8.0041 121.4686 54.7749 42.2451 177.2148 40 N 4.3955 8.0430 116.3904 53.7937 39.2096 176.1994 41 C 4.2683 8.8486 122.2363 56.7711 41.0417 173.3228 42 D 4.7311 8.6666 125.9688 51.5978 40.1255 174.8516 43 P 4.2112 0.0000 0.0000 64.4743 31.8035 177.7432 44 R 3.9699 7.8778 116.6368 57.4512 30.2981 175.6419 45 I 4.2025 7.6532 118.9715 60.4392 38.3509 174.5945 46 A 4.4214 8.2365 127.6442 53.2903 19.4093 176.2347 47 Y 4.8380 7.5644 111.3750 56.0387 42.0743 173.0288 48 G 3.4165 8.6374 107.7345 44.8970 0.0000 173.5077 49 V 4.3097 8.9753 126.6021 61.5129 32.5573 174.2220 50 C 4.8507 8.5403 125.2792 55.2351 41.6288 171.9845 51 P 4.0587 0.0000 0.0000 63.0329 31.2079 177.7220 52 R 4.2596 8.2646 126.9828 54.6642 28.5096 176.1996 53 S 4.1660 7.4849 117.7095 58.8849 63.8385 174.6802 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 D 8.36 4.54 0.00 2.64 2.67 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 0.00 2 R 8.15 4.26 0.00 1.82 1.78 0.00 3.34 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.74 0.00 3 I 8.75 4.15 1.88 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 1.39 0.80 0.90 0.00 0.00 4 C 7.85 5.00 0.00 2.97 3.21 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 5 T 7.76 4.35 4.28 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 1.30 0.00 0.00 6 N 8.02 5.12 0.00 2.81 2.97 0.00 0.00 6.10 7.94 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 7 C 8.52 3.98 0.00 2.86 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 C 7.58 4.08 0.00 2.99 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 9 A 8.29 3.96 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 10 G 7.39 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 0.00 0.00 0.00 11 T 8.83 4.90 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 1.27 0.00 0.00 12 K 8.26 4.80 0.00 1.88 1.81 0.00 1.76 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.43 7.81 13 G 9.44 4.17 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 0.00 0.00 0.00 14 C 8.19 4.88 0.00 3.03 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.90 4.78 0.00 1.96 1.99 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.86 7.81 16 Y 9.26 4.59 0.00 3.12 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 17 F 9.26 5.46 0.00 3.13 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 18 S 8.52 4.62 0.00 3.67 4.02 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 19 D 8.12 4.02 0.00 2.74 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.57 4.31 0.00 2.75 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.67 4.48 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 22 T 7.49 4.70 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 1.27 0.00 0.00 23 F 9.01 4.89 0.00 3.02 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 24 V 7.86 3.86 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 0.71 0.00 0.00 0.89 0.00 0.00 25 C 6.99 4.27 0.00 2.89 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 26 E 8.90 5.01 0.00 2.41 2.07 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 2.58 2.55 0.00 27 G 9.17 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.95 4.34 0.00 1.94 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 2.32 2.42 0.00 29 S 7.35 4.59 0.00 4.22 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 30 D 8.47 4.91 0.00 2.69 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.52 0.00 2.23 2.19 0.00 3.85 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 32 R 8.79 4.00 0.00 1.84 2.03 0.00 3.30 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 33 N 7.40 4.68 0.00 2.95 2.80 0.00 0.00 7.10 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 34 P 0.00 4.29 0.00 2.20 2.16 0.00 3.76 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 1.99 1.96 0.00 35 K 8.34 4.28 0.00 1.87 1.87 0.00 1.51 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.37 1.43 7.81 36 A 8.08 4.55 1.22 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 0.00 0.00 37 C 8.02 4.63 0.00 2.94 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 38 T 8.11 4.16 4.45 0.00 0.00 0.00 0.00 0.00 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 39 L 8.00 4.56 0.00 1.62 1.67 0.92 1.03 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 40 N 8.04 4.40 0.00 2.56 2.75 0.00 0.00 7.19 7.65 0.00 0.00 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 C 8.85 4.27 0.00 2.84 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 42 D 8.67 4.73 0.00 2.75 2.60 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 43 P 0.00 4.21 0.00 2.05 2.08 0.00 3.70 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 2.00 2.05 0.00 44 R 7.88 3.97 0.00 1.72 1.89 0.00 3.31 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 45 I 7.65 4.20 2.01 0.00 0.00 0.80 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 0.67 1.03 0.00 0.00 46 A 8.24 4.42 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 7.56 4.84 0.00 3.04 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 48 G 8.64 3.42 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 0.00 0.00 0.00 0.00 49 V 8.98 4.31 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.17 0.00 0.00 50 C 8.54 4.85 0.00 2.87 2.97 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 51 P 0.00 4.06 0.00 1.91 2.01 0.00 3.66 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 52 R 8.26 4.26 0.00 1.71 1.83 0.00 3.27 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 53 S 7.48 4.17 0.00 3.83 3.66 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