NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.6644 8.4444 120.3915 56.2295 31.0805 173.0566 6 D 4.5064 7.6192 124.1343 52.5437 40.1747 175.0181 7 H 4.5420 9.0218 122.2302 56.9407 30.4613 176.7911 8 Y 3.9432 8.0388 116.4925 60.3971 37.7004 177.7888 9 A 4.1348 8.1234 122.0495 54.8761 18.3710 178.7487 10 D 4.5914 8.1398 116.4802 56.1356 40.8910 178.5411 11 L 3.9760 7.8222 120.5258 57.5797 41.5638 179.4046 12 V 3.6082 7.7625 118.0394 65.7138 31.4234 178.0379 13 K 3.9440 7.9300 119.0054 59.4181 32.0930 178.4415 14 F 4.0324 8.5755 121.3109 61.0726 39.3254 177.1294 15 G 4.0165 8.4531 107.0874 47.4840 0.0000 175.3765 16 Q 3.9626 8.0647 120.7080 58.7433 28.6685 179.3219 17 R 3.7454 7.7184 119.5648 59.0545 30.0479 178.3304 18 L 3.6297 7.7350 120.5578 58.0731 42.0452 178.8886 19 R 4.1010 7.8477 119.9408 58.8371 29.9561 178.1929 20 E 3.9245 8.1947 118.3582 59.5141 29.2489 179.4589 21 L 3.9735 7.7439 117.7822 57.5620 41.8972 179.2254 22 R 4.0198 8.3758 119.3995 59.6909 30.1194 178.7750 23 T 3.9075 8.3603 109.7934 64.6424 68.5121 176.3281 24 A 4.0597 7.9734 122.6913 54.0904 18.4495 178.6400 25 K 4.3330 7.6299 114.5954 55.2695 32.9616 176.4563 26 G 3.8775 8.0112 107.2412 46.8800 0.0000 173.7563 27 L 4.7538 7.7227 117.7734 52.2080 44.5356 177.7486 28 S 4.4353 8.2955 117.1993 58.0332 65.1926 175.4132 29 Q 4.0071 8.5431 121.3013 59.1240 28.3775 178.8033 30 E 3.9688 8.1495 119.8002 59.6284 29.7837 178.8561 31 T 3.9622 8.2091 116.0143 66.6429 68.5357 176.4908 32 L 4.0241 8.2438 122.0887 57.8815 42.0927 178.8189 33 A 4.1357 8.3252 122.5285 54.5007 18.3233 179.3695 34 F 3.9553 8.5051 119.2384 61.5029 39.3358 177.4626 35 L 3.9386 8.1086 117.3497 56.8206 41.8128 178.5423 36 S 4.5901 8.1588 112.7203 57.3474 63.2093 175.1128 37 G 3.7182 7.5205 110.2344 46.5407 0.0000 173.6389 38 L 4.8975 7.6483 121.3796 52.6381 44.4174 175.8465 39 D 5.1106 8.2282 117.5277 51.7637 43.5912 176.3730 40 R 3.9258 8.5203 120.4967 59.7227 30.0850 178.8259 41 S 4.1417 8.1799 114.4850 61.9200 62.7584 176.0465 42 Y 4.0389 8.3592 121.8750 60.7124 38.5388 177.9566 43 V 3.6380 8.1853 119.3946 66.0238 31.7236 178.1606 44 G 3.6824 8.6427 105.9089 47.7395 0.0000 175.6805 45 G 3.6680 8.3473 108.7129 47.6884 0.0000 175.9177 46 V 3.4933 7.9499 121.0088 65.6736 31.5902 178.0210 47 E 4.1451 8.4675 118.5696 58.9977 29.0589 178.5727 48 R 4.4530 7.7450 115.3143 55.5941 30.4283 176.9293 49 G 3.9243 7.9247 106.8058 46.6178 0.0000 174.4434 50 Q 4.6102 8.3795 116.4273 55.2470 29.8172 175.8820 51 R 4.6520 7.4916 115.8668 54.4163 33.9198 174.8953 52 N 4.6301 8.4777 120.1519 51.4210 37.9045 174.9059 53 V 4.0424 8.0432 122.8024 60.8304 32.3402 177.0105 54 S 4.6939 8.3411 116.2639 56.7955 66.1540 174.8751 55 L 3.9371 8.3245 123.6352 58.6407 41.6898 179.3906 56 V 3.6198 7.7557 117.4524 66.0372 31.4297 177.5527 57 N 4.4488 8.0699 116.2966 55.9036 38.3095 177.5327 58 I 3.8761 8.0645 121.7650 64.5290 37.1749 178.4200 59 L 4.0518 8.3755 120.1354 57.6117 41.3921 179.6802 60 K 3.9532 8.3506 118.6659 59.4998 32.0361 179.3820 61 L 4.0055 8.3527 119.2105 57.7022 41.5992 179.3659 62 A 4.0261 8.3024 120.9015 55.5395 18.3644 179.7038 63 T 3.8210 8.2469 114.2360 66.8898 68.3165 176.7166 64 A 4.0542 7.9574 121.4178 54.9230 18.5280 178.9935 65 L 4.1211 7.9781 114.9276 54.5125 42.3140 176.2484 66 D 4.3754 8.0213 117.8359 55.4786 40.0317 172.5838 67 I 4.6330 7.5004 109.0173 58.2534 40.7951 174.8216 68 E 4.2053 8.6360 120.5502 55.5233 29.9924 176.8142 69 P 4.3713 0.0000 0.0000 65.6305 31.3560 178.8544 70 R 4.1848 8.2389 114.4258 59.2804 28.8461 178.1438 71 E 4.2241 8.3485 118.0211 58.2555 29.6403 178.2480 72 L 3.9328 7.9914 118.1277 55.9946 41.7564 176.8831 73 F 4.3848 8.0646 122.7083 57.4667 39.2489 175.2103 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 5 H 8.44 4.66 0.00 3.00 3.13 0.00 5.87 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 D 7.62 4.51 0.00 2.75 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.02 4.54 0.00 3.15 3.25 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 8.04 3.94 0.00 3.27 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 9 A 8.12 4.13 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 10 D 8.14 4.59 0.00 2.90 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 11 L 7.82 3.98 0.00 1.83 1.72 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.76 3.61 2.23 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 1.00 0.00 0.00 0.99 0.00 0.00 13 K 7.93 3.94 0.00 1.89 1.96 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.49 7.81 14 F 8.58 4.03 0.00 3.01 3.08 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 15 G 8.45 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 0.00 0.00 0.00 16 Q 8.06 3.96 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 17 R 7.72 3.75 0.00 1.75 1.67 0.00 3.23 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.40 0.00 18 L 7.74 3.63 0.00 1.25 1.58 0.80 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 19 R 7.85 4.10 0.00 1.97 2.00 0.00 3.17 0.00 0.00 3.23 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 20 E 8.19 3.92 0.00 2.10 1.94 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 2.29 2.56 0.00 21 L 7.74 3.97 0.00 1.51 1.67 0.80 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.38 4.02 0.00 1.84 2.01 0.00 3.24 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 23 T 8.36 3.91 4.22 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 1.28 0.00 0.00 24 A 7.97 4.06 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 7.63 4.33 0.00 1.70 1.85 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.57 7.81 26 G 8.01 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 0.00 0.00 0.00 27 L 7.72 4.75 0.00 1.62 1.59 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.30 4.44 0.00 4.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.54 4.01 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.94 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 30 E 8.15 3.97 0.00 2.06 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 0.00 2.42 2.44 0.00 31 T 8.21 3.96 4.42 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 1.28 0.00 0.00 32 L 8.24 4.02 0.00 1.79 1.83 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.33 4.14 1.50 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 34 F 8.51 3.96 0.00 3.24 3.31 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 35 L 8.11 3.94 0.00 1.70 1.73 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 36 S 8.16 4.59 0.00 4.07 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 37 G 7.52 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.65 4.90 0.00 1.73 1.74 1.09 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.23 5.11 0.00 2.87 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 40 R 8.52 3.93 0.00 1.95 2.01 0.00 3.22 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.85 0.00 41 S 8.18 4.14 0.00 4.13 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 42 Y 8.36 4.04 0.00 3.20 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 43 V 8.19 3.64 2.26 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 1.05 0.00 0.00 1.09 0.00 0.00 44 G 8.64 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 0.00 0.00 0.00 45 G 8.35 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 0.00 0.00 0.00 0.00 46 V 7.95 3.49 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 1.13 0.00 0.00 0.30 0.00 0.00 47 E 8.47 4.15 0.00 2.15 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 2.26 2.47 0.00 48 R 7.75 4.45 0.00 1.80 1.96 0.00 3.24 0.00 0.00 3.22 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 49 G 7.92 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 50 Q 8.38 4.61 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.02 6.61 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 51 R 7.49 4.65 0.00 1.48 1.72 0.00 3.56 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.27 0.00 52 N 8.48 4.63 0.00 2.73 2.81 0.00 0.00 7.05 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 53 V 8.04 4.04 2.14 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 0.62 0.00 0.00 1.08 0.00 0.00 54 S 8.34 4.69 0.00 4.07 4.05 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.32 3.94 0.00 1.77 1.72 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.76 3.62 2.08 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 1.08 0.00 0.00 0.93 0.00 0.00 57 N 8.07 4.45 0.00 2.90 3.06 0.00 0.00 6.97 7.07 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 58 I 8.06 3.88 2.19 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.83 1.24 0.00 0.00 59 L 8.38 4.05 0.00 1.85 1.75 0.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.35 3.95 0.00 1.97 2.01 0.00 1.85 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.63 7.81 61 L 8.35 4.01 0.00 1.89 1.75 1.09 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.30 4.03 1.48 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 63 T 8.25 3.82 4.43 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 1.21 0.00 0.00 64 A 7.96 4.05 1.42 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 65 L 7.98 4.12 0.00 1.64 1.72 0.92 0.87 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 66 D 8.02 4.38 0.00 2.79 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 67 I 7.50 4.63 2.15 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 1.45 0.88 0.97 0.00 0.00 68 E 8.64 4.21 0.00 2.09 1.94 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 2.34 2.44 0.00 69 P 0.00 4.37 0.00 2.20 2.24 0.00 3.91 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 70 R 8.24 4.18 0.00 2.08 2.24 0.00 2.98 0.00 0.00 3.35 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 71 E 8.35 4.22 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 72 L 7.99 3.93 0.00 1.80 1.22 1.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 73 F 8.06 4.38 0.00 3.28 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