NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.8072 8.3244 119.3370 57.4541 39.4415 173.2682 2 Q 4.8028 7.5516 124.2020 56.6822 31.7603 173.0914 3 G 4.0770 9.2128 107.8049 45.8671 0.0000 173.0380 4 N 4.7830 7.9181 114.9866 54.3168 41.5623 173.7613 5 P 4.2780 0.0000 0.0000 65.6686 31.2018 177.0140 6 C 4.6287 7.9995 119.3211 55.1277 40.4257 173.8415 7 E 4.6613 8.3240 128.8199 54.8384 29.3085 174.5479 8 C 4.9724 7.6616 114.7879 54.8108 44.9876 172.5105 9 P 4.6866 0.0000 0.0000 62.2239 32.2986 175.7991 10 R 4.2645 8.1535 116.0888 56.0275 29.9361 177.6509 11 A 4.1347 7.8138 121.0234 52.4304 19.0802 178.6994 12 L 4.4374 8.3169 125.9537 55.6357 42.0968 178.6845 13 H 4.5826 7.9829 116.4597 54.7914 27.2093 175.3415 14 R 4.6718 7.9306 119.4136 56.7118 31.2298 176.3108 15 V 4.7187 8.9916 114.8890 60.5257 37.0025 172.2887 16 C 5.3130 8.8790 122.5321 55.1054 41.4167 173.6005 17 G 4.2968 9.3407 113.6386 44.5740 0.0000 174.5786 18 S 4.1735 7.9688 112.3385 61.6447 62.6474 175.5800 19 D 4.3906 8.0505 116.5126 54.6544 40.8644 176.4715 20 G 3.8871 8.0989 106.2111 45.9288 0.0000 174.2107 21 N 4.5616 7.7774 119.1202 53.3189 38.0798 173.7255 22 T 4.6192 8.1730 120.9159 63.5755 69.5620 173.0343 23 Y 4.7975 9.2956 122.3074 55.8967 41.5410 177.1999 24 S 4.1722 9.0312 116.3049 61.0981 63.8619 174.4386 25 N 5.6299 7.9156 118.0270 51.1518 40.6154 173.4285 26 P 4.3422 0.0000 0.0000 65.3236 31.5252 179.2728 27 C 4.2085 8.0830 118.7289 60.0764 44.9004 174.9723 28 M 4.0408 8.6428 120.6584 58.7469 31.5320 177.8748 29 L 2.8000 7.6716 120.0042 58.3102 42.0250 178.8840 30 T 3.9360 8.4737 113.3228 65.6837 67.3436 174.6198 31 C 4.2450 8.9260 120.8955 58.7069 38.7466 175.1982 32 A 3.9322 8.4287 121.7346 55.5598 18.3137 178.9720 33 K 3.7404 8.4682 117.7943 60.8271 31.9318 178.4487 34 H 4.2990 8.4057 116.3998 58.3444 29.0554 177.2594 35 E 4.3807 8.6222 122.6644 57.8849 29.3181 179.3886 36 G 3.8704 8.3395 104.8152 45.9290 0.0000 173.1083 37 N 4.9917 8.0698 116.1094 51.0025 38.5781 173.5278 38 P 4.2551 0.0000 0.0000 65.3556 32.0810 178.1433 39 D 4.4390 7.9078 117.9206 56.2328 41.2018 176.6146 40 L 4.2161 7.6639 120.4253 55.2556 42.2964 176.2369 41 V 4.4538 7.6819 114.6515 60.0007 35.5471 174.4239 42 Q 4.4446 8.2838 124.1429 55.1933 27.0985 175.9125 43 V 3.7647 8.0507 116.0227 63.3423 32.0438 175.7884 44 H 4.7491 7.3812 110.3153 55.1328 31.5699 174.3387 45 E 4.3618 8.4249 127.5075 53.9307 28.4751 175.4332 46 G 3.9878 9.5297 113.5119 44.0824 0.0000 170.9748 47 P 4.3379 0.0000 0.0000 62.9240 31.8885 176.8228 48 C 4.4449 8.4967 120.1386 59.3675 40.9478 173.4439 49 D 4.5456 8.1024 119.4916 54.3717 41.3433 175.5156 50 E 4.9174 8.2501 122.4870 56.1510 32.3608 172.8933 51 H 4.6702 8.9439 118.6402 57.0159 36.8781 174.3005 52 D 4.6440 8.1078 117.9483 54.5860 39.5514 176.6612 53 H 4.7360 8.2094 117.3465 54.3303 29.8187 173.3094 54 D 4.7046 8.0733 118.4381 54.3252 42.2292 175.5035 55 F 4.5005 7.8439 115.9966 57.2346 37.6389 174.1254 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 F 8.32 4.81 0.00 3.05 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 2 Q 7.55 4.80 0.00 2.15 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.21 5.90 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 3 G 9.21 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 0.00 0.00 0.00 4 N 7.92 4.78 0.00 2.70 2.77 0.00 0.00 7.08 7.56 0.00 0.00 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 P 0.00 4.28 0.00 2.22 2.28 0.00 3.85 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.09 0.00 6 C 8.00 4.63 0.00 3.00 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 7 E 8.32 4.66 0.00 1.86 1.81 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 2.18 2.31 0.00 8 C 7.66 4.97 0.00 2.94 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 9 P 0.00 4.69 0.00 2.18 2.06 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 10 R 8.15 4.26 0.00 1.82 1.99 0.00 3.28 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 11 A 7.81 4.13 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 12 L 8.32 4.44 0.00 1.66 1.70 0.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 13 H 7.98 4.58 0.00 3.09 3.29 0.00 5.62 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 7.93 4.67 0.00 1.71 1.89 0.00 3.21 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 15 V 8.99 4.72 2.25 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 0.81 0.00 0.00 1.09 0.00 0.00 16 C 8.88 5.31 0.00 3.25 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 17 G 9.34 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 0.00 0.00 0.00 0.00 18 S 7.97 4.17 0.00 4.03 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 19 D 8.05 4.39 0.00 2.66 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 20 G 8.10 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 21 N 7.78 4.56 0.00 2.84 2.90 0.00 0.00 7.12 7.15 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 22 T 8.17 4.62 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 1.28 0.00 0.00 23 Y 9.30 4.80 0.00 2.90 2.95 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 0.00 0.00 0.00 24 S 9.03 4.17 0.00 4.02 4.04 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 25 N 7.92 5.63 0.00 2.99 3.10 0.00 0.00 6.84 8.07 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 26 P 0.00 4.34 0.00 2.34 2.35 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 27 C 8.08 4.21 0.00 3.00 3.27 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 28 M 8.64 4.04 0.00 2.20 2.37 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.83 0.00 29 L 7.67 2.80 0.00 1.04 1.40 0.88 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.47 3.94 4.26 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 0.00 0.00 0.00 1.27 0.00 0.00 31 C 8.93 4.24 0.00 3.10 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 32 A 8.43 3.93 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 0.00 0.00 33 K 8.47 3.74 0.00 1.74 1.87 0.00 1.54 0.00 0.00 1.54 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.70 7.81 34 H 8.41 4.30 0.00 3.32 3.34 0.00 5.73 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.62 4.38 0.00 2.25 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 0.00 2.58 2.45 0.00 36 G 8.34 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 37 N 8.07 4.99 0.00 2.69 2.62 0.00 0.00 7.10 7.76 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 38 P 0.00 4.26 0.00 2.16 2.10 0.00 3.73 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.91 0.00 39 D 7.91 4.44 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 40 L 7.66 4.22 0.00 1.68 1.76 0.80 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.68 4.45 2.06 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 0.73 0.00 0.00 0.92 0.00 0.00 42 Q 8.28 4.44 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 7.00 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 43 V 8.05 3.76 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 0.84 0.00 0.00 0.96 0.00 0.00 44 H 7.38 4.75 0.00 3.14 3.27 0.00 5.72 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.42 4.36 0.00 1.99 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.27 0.00 46 G 9.53 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.34 0.00 2.21 2.09 0.00 3.76 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 48 C 8.50 4.44 0.00 3.18 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 49 D 8.10 4.55 0.00 2.62 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 4.92 0.00 2.11 1.88 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 2.20 2.31 0.00 51 H 8.94 4.67 0.00 3.07 3.28 0.00 5.97 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.11 4.64 0.00 2.86 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 53 H 8.21 4.74 0.00 3.12 3.35 0.00 5.90 0.00 0.00 0.00 0.00 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.07 4.70 0.00 2.61 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.84 4.50 0.00 3.09 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