NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3294 8.4293 121.4733 56.2778 31.1416 174.4364 4 V 3.7380 8.3161 115.6557 63.5631 32.0312 176.6076 5 C 5.0823 8.0702 115.6542 56.4462 41.2206 175.2692 6 S 4.5383 7.9220 111.7408 57.4215 64.0495 173.7607 7 E 4.1876 8.0614 122.0033 55.7793 30.1649 176.0743 8 Q 3.9777 8.2974 123.2208 55.1428 29.5122 176.0286 9 A 3.2479 7.6090 124.2210 52.0533 18.4296 176.8539 10 E 4.6667 8.1733 122.8937 54.5801 32.1471 176.6424 11 T 4.2573 8.6301 114.3386 62.7833 69.3817 175.6677 12 G 4.3307 8.0699 105.3798 45.6057 0.0000 171.4628 13 P 4.3723 0.0000 0.0000 64.9055 31.8805 178.5073 14 C 4.4578 7.9487 115.6718 57.1821 40.7503 173.8765 15 R 4.7807 8.2268 120.4118 56.2152 30.2494 175.7505 16 A 4.5622 7.8262 119.1222 50.8234 22.5442 177.3219 17 M 4.6061 8.3562 119.1601 53.5379 31.5678 173.8202 18 I 4.4462 8.4878 121.7572 59.1812 39.7439 175.0592 19 S 4.2777 8.8334 124.3364 58.7585 63.3914 173.7689 20 R 4.9317 8.2259 123.2079 54.3982 35.0467 173.8956 21 W 5.8302 9.7588 118.8147 55.6402 33.2670 174.6402 22 Y 5.5816 9.2277 119.6394 55.6103 41.5597 173.4927 23 F 4.7513 10.0724 124.1212 57.3677 40.7048 174.3837 24 D 4.5334 7.7118 126.6563 52.9511 41.5799 177.5103 25 V 3.4287 8.3770 120.3303 64.7734 32.0736 177.8871 26 T 3.9829 7.9587 115.1134 66.8425 67.2627 175.5758 27 E 3.9279 9.0108 120.6148 57.1769 29.6200 178.3491 28 G 3.8056 8.0752 106.3750 45.5400 0.0000 173.0144 29 K 4.7858 6.5776 114.2970 55.5467 36.2371 174.2091 30 C 5.1307 8.8479 118.1970 57.2062 42.3317 172.9385 31 A 4.9800 8.7993 122.7267 49.7783 22.7380 173.9976 32 P 4.2324 0.0000 0.0000 62.2452 32.5700 175.8358 33 F 4.5130 7.7268 113.3346 56.3691 41.4306 172.7977 34 F 4.9119 8.8611 119.9326 56.8724 39.9146 174.4474 35 Y 4.8749 8.9726 126.1507 56.2179 40.1826 176.6756 36 G 3.9113 8.4738 113.4968 46.7488 0.0000 174.6612 37 G 3.7648 5.9145 108.9059 45.6919 0.0000 172.5332 38 C 5.0206 6.6018 112.2721 53.9730 45.6405 174.4278 39 G 3.9568 9.0746 107.6314 47.4710 0.0000 173.5233 40 G 3.9466 9.0898 110.9875 45.3388 0.0000 170.7741 41 N 5.0594 8.2195 117.2552 50.8567 40.6596 174.5728 42 R 3.7989 8.5217 116.6309 59.0160 30.5805 177.4975 43 N 4.5315 7.6151 117.2969 50.8802 37.2480 174.7437 44 N 4.9697 6.5054 116.4594 52.5954 41.2038 172.9662 45 F 5.1398 9.7404 125.4188 55.4129 42.4832 176.4466 46 D 4.6125 9.2661 122.6399 56.8076 41.6087 176.9143 47 T 4.6233 7.7455 107.6462 58.8400 73.2474 174.3378 48 E 2.8257 7.1904 121.7486 59.0357 29.4701 178.8248 49 E 3.8028 7.6644 118.0832 59.4748 29.5734 178.6042 50 Y 4.2348 7.6959 119.0813 60.7766 38.8758 177.0587 51 C 2.4500 7.7743 119.3005 59.5722 40.5138 175.6316 52 M 3.8942 8.2097 120.1289 58.0271 31.2043 178.6426 53 A 4.0262 7.8504 120.9672 54.6503 18.5738 179.1848 54 V 3.7291 7.1720 115.6136 64.4665 31.9324 176.0154 55 C 4.3853 7.8981 113.5230 56.2420 42.1621 174.2103 56 G 3.6369 7.7092 109.0054 45.0162 0.0000 172.8752 57 S 4.3129 8.1221 114.1725 56.1165 64.4441 173.0105 58 A 3.8050 8.3530 123.2545 52.7893 17.7680 177.5471 59 I 3.9710 8.1942 121.0082 61.7449 38.0750 175.3835 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 3 E 8.43 4.33 0.00 1.94 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 2.20 2.38 0.00 4 V 8.32 3.74 2.10 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 0.77 0.00 0.00 0.99 0.00 0.00 5 C 8.07 5.08 0.00 2.97 3.10 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 6 S 7.92 4.54 0.00 3.96 3.97 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 7 E 8.06 4.19 0.00 2.12 1.86 0.00 0.00 0.00 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 2.34 0.00 8 Q 8.30 3.98 0.00 1.98 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 9 A 7.61 3.25 -0.46 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 0.00 0.00 10 E 8.17 4.67 0.00 1.92 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 2.14 2.36 0.00 11 T 8.63 4.26 4.36 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 12 G 8.07 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 0.00 0.00 0.00 0.00 13 P 0.00 4.37 0.00 2.04 2.12 0.00 3.76 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 2.11 0.00 14 C 7.95 4.46 0.00 2.81 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.23 4.78 0.00 1.72 1.87 0.00 3.19 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 16 A 7.83 4.56 1.20 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 0.00 0.00 0.00 17 M 8.36 4.61 0.00 1.65 1.90 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 18 I 8.49 4.45 2.14 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.62 1.02 0.00 0.00 19 S 8.83 4.28 0.00 3.77 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.23 4.93 0.00 0.82 1.83 0.00 2.97 0.00 0.00 3.47 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 21 W 9.76 5.83 0.00 3.41 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 22 Y 9.23 5.58 0.00 3.19 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 23 F 10.07 4.75 0.00 2.94 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 24 D 7.71 4.53 0.00 2.40 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 0.00 0.00 0.00 0.00 25 V 8.38 3.43 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 0.87 0.00 0.00 0.92 0.00 0.00 26 T 7.96 3.98 4.39 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 1.19 0.00 0.00 27 E 9.01 3.93 0.00 1.80 1.90 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 2.44 2.34 0.00 28 G 8.08 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 29 K 6.58 4.79 0.00 1.80 1.89 0.00 1.33 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.35 7.81 30 C 8.85 5.13 0.00 2.92 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 31 A 8.80 4.98 0.95 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 0.00 0.00 32 P 0.00 4.23 0.00 1.47 1.04 0.00 3.54 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.82 0.00 33 F 7.73 4.51 0.00 3.06 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 34 F 8.86 4.91 0.00 2.98 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 35 Y 8.97 4.87 0.00 2.60 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.47 3.91 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 0.00 0.00 0.00 37 G 5.91 3.76 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 0.00 0.00 0.00 38 C 6.60 5.02 0.00 3.06 3.10 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 39 G 9.07 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 0.00 0.00 0.00 40 G 9.09 3.95 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 0.00 0.00 0.00 41 N 8.22 5.06 0.00 2.71 2.74 0.00 0.00 5.88 7.66 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 42 R 8.52 3.80 0.00 1.78 1.99 0.00 3.30 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 43 N 7.62 4.53 0.00 2.84 2.86 0.00 0.00 6.85 7.50 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 44 N 6.51 4.97 0.00 2.58 2.42 0.00 0.00 7.09 7.02 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 45 F 9.74 5.14 0.00 3.24 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 46 D 9.27 4.61 0.00 2.78 2.87 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 47 T 7.75 4.62 4.32 0.00 0.00 0.00 0.00 0.00 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 E 7.19 2.83 0.00 1.16 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.72 0.00 49 E 7.66 3.80 0.00 2.01 1.90 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 2.31 2.29 0.00 50 Y 7.70 4.23 0.00 2.96 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 51 C 7.77 2.45 0.00 2.85 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 52 M 8.21 3.89 0.00 1.90 2.08 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.69 0.00 53 A 7.85 4.03 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 54 V 7.17 3.73 1.44 0.00 0.00 0.00 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 0.53 0.00 0.00 55 C 7.90 4.39 0.00 2.32 1.74 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 56 G 7.71 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 0.00 0.00 0.00 57 S 8.12 4.31 0.00 3.97 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 58 A 8.35 3.80 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 59 I 8.19 3.97 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.89 0.92 0.00 0.00