NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3538 8.2493 123.5820 51.9847 21.1573 177.9232 2 K 3.7760 8.0953 112.3169 57.2544 31.7499 175.0704 3 T 4.5757 9.2048 107.6402 60.0898 75.9641 172.4482 4 I 3.5023 7.9510 131.1325 60.3573 37.6260 172.0198 5 K 5.1266 9.1052 124.2020 54.7579 35.1506 175.6228 6 I 4.7097 9.1061 125.2925 60.3019 41.0570 174.1944 7 T 4.8447 7.8383 117.0138 62.8722 72.2496 175.2934 8 Q 3.8161 8.8125 124.8081 57.2274 29.1771 175.5181 9 T 3.4092 7.0348 112.9462 62.6119 67.8571 172.1818 10 R 4.6055 7.5457 122.2529 54.2624 33.2977 176.3142 11 S 4.1390 8.4483 114.1439 58.6493 63.3282 174.6119 12 A 4.6451 8.2360 129.6967 50.9331 17.6861 175.5665 13 I 4.1553 7.5001 121.1655 62.2537 38.7481 178.2337 14 G 4.0677 7.7649 107.4025 45.8138 0.0000 173.9264 15 R 4.3920 7.7837 118.0787 54.6649 31.3697 176.6006 16 L 4.1652 8.1254 119.2457 54.3027 42.1483 176.8712 17 P 4.2550 0.0000 0.0000 65.8931 31.4154 178.3250 18 K 4.4891 8.0188 114.2171 57.2067 31.7272 177.0492 19 H 4.8286 8.1246 115.8095 57.6513 30.2382 176.8051 20 K 3.3280 8.1709 119.4406 59.4575 31.6213 179.1576 21 A 3.9706 7.4557 119.3392 55.4610 18.6438 179.5014 22 T 3.9774 7.7610 107.8975 64.7905 68.4311 176.2716 23 L 3.9505 8.7946 124.2213 57.4195 41.8233 178.8925 24 L 4.1371 7.8138 120.6364 58.0744 41.9343 178.7679 25 G 3.2807 7.5639 103.9361 47.5803 0.0000 174.5051 26 L 4.4140 7.5627 119.4153 53.8166 41.7437 177.8491 27 G 3.9048 8.6779 107.7361 45.9076 0.0000 174.3237 28 L 3.8646 7.2191 118.1317 54.8578 39.5977 177.0208 29 R 4.0674 7.4942 123.3871 57.9702 30.7454 180.7071 30 R 4.2645 7.7096 122.2376 56.1936 31.4731 176.3428 31 I 4.0767 8.3074 110.3545 62.5462 38.1702 176.9740 32 G 3.9909 7.7354 109.2368 45.2522 0.0000 173.6306 33 H 3.8496 8.2828 119.3370 58.0220 30.0289 171.1738 34 T 4.1190 8.2971 123.4632 62.6487 68.3250 171.9352 35 V 4.4969 7.7648 124.2599 59.6918 34.6217 173.4702 36 E 4.9880 8.6727 122.8685 54.6273 30.2455 174.3625 37 R 4.5798 8.7251 129.6760 56.7578 33.2044 173.0289 38 E 4.9416 8.6644 117.2432 54.4071 32.6408 176.0473 39 D 4.8233 8.4166 123.7502 54.9519 42.6295 176.6109 40 T 4.0320 7.9025 114.1409 62.3877 69.1707 173.4877 41 P 4.3365 0.0000 0.0000 66.0812 31.1470 178.4051 42 A 3.9702 7.9576 119.3998 54.7603 18.4284 178.9376 43 I 3.5525 7.6687 115.4385 64.3617 37.6916 178.1464 44 R 4.0139 8.5178 119.7098 59.2442 29.6269 178.6516 45 G 3.6387 8.0167 105.7136 47.7721 0.0000 175.7384 46 M 4.0869 8.6409 121.3506 58.0911 31.6479 178.9303 47 I 3.7181 7.7194 119.2716 64.3567 37.7714 177.3558 48 N 4.3167 7.7463 117.0259 57.7308 38.5335 175.5625 49 A 4.0045 7.6467 119.4225 55.9503 18.5579 178.3530 50 V 4.0778 7.8668 106.2264 61.0603 33.2261 179.2345 51 S 4.1728 8.0226 116.4934 61.4497 62.9545 175.7672 52 F 4.6324 8.5582 112.4872 58.0924 37.6059 174.8400 53 M 4.6842 7.7577 120.4584 54.8154 33.4451 175.4221 54 V 5.1728 7.7466 109.7796 59.8370 36.1644 175.1721 55 K 4.4698 8.3856 125.4286 53.9266 31.6255 175.2297 56 V 4.0364 7.9649 123.3504 62.8240 32.9712 174.6662 57 E 4.6947 9.0644 124.8746 54.9054 33.9629 175.5667 58 E 4.2517 8.7937 122.9063 56.4983 30.1725 175.7883 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 A 8.25 4.35 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 2 K 8.10 3.78 0.00 1.95 1.73 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.43 7.81 3 T 9.20 4.58 4.37 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 1.21 0.00 0.00 4 I 7.95 3.50 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.04 0.97 0.00 0.00 5 K 9.11 5.13 0.00 1.67 1.67 0.00 1.50 0.00 0.00 1.64 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.42 7.81 6 I 9.11 4.71 1.84 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 1.40 0.99 0.88 0.00 0.00 7 T 7.84 4.84 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 1.23 0.00 0.00 8 Q 8.81 3.82 0.00 2.01 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.22 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 9 T 7.03 3.41 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 1.19 0.00 0.00 10 R 7.55 4.61 0.00 1.71 1.82 0.00 3.27 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 11 S 8.45 4.14 0.00 3.82 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 12 A 8.24 4.65 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 13 I 7.50 4.16 1.89 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 1.24 0.65 0.92 0.00 0.00 14 G 7.76 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.78 4.39 0.00 1.89 2.04 0.00 3.37 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.06 0.00 16 L 8.13 4.17 0.00 1.47 1.52 0.87 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.25 0.00 2.18 2.11 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 18 K 8.02 4.49 0.00 1.77 1.87 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.41 7.81 19 H 8.12 4.83 0.00 3.48 3.36 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.17 3.33 0.00 1.81 1.90 0.00 1.69 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.57 1.77 7.81 21 A 7.46 3.97 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 22 T 7.76 3.98 4.24 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 1.26 0.00 0.00 23 L 8.79 3.95 0.00 1.82 1.81 0.93 0.40 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 24 L 7.81 4.14 0.00 1.91 1.85 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.56 3.28 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 0.00 26 L 7.56 4.41 0.00 1.83 1.66 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.68 3.90 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 0.00 0.00 0.00 28 L 7.22 3.86 0.00 1.63 1.79 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.49 4.07 0.00 1.92 1.85 0.00 3.27 0.00 0.00 3.25 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 30 R 7.71 4.26 0.00 1.79 1.92 0.00 3.25 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 31 I 8.31 4.08 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.84 0.90 0.00 0.00 32 G 7.74 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 33 H 8.28 3.85 0.00 3.12 3.28 0.00 5.86 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.30 4.12 4.25 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 0.00 0.00 0.00 1.27 0.00 0.00 35 V 7.76 4.50 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 0.82 0.00 0.00 0.93 0.00 0.00 36 E 8.67 4.99 0.00 2.00 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 2.22 2.29 0.00 37 R 8.73 4.58 0.00 1.79 1.53 0.00 3.30 0.00 0.00 3.21 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 38 E 8.66 4.94 0.00 1.84 1.87 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 2.21 2.32 0.00 39 D 8.42 4.82 0.00 2.56 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.90 4.03 4.24 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 1.23 0.00 0.00 41 P 0.00 4.34 0.00 2.15 2.13 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 42 A 7.96 3.97 1.30 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 43 I 7.67 3.55 1.86 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 1.69 1.19 0.98 0.00 0.00 44 R 8.52 4.01 0.00 1.92 2.12 0.00 3.19 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 45 G 8.02 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 46 M 8.64 4.09 0.00 2.01 2.26 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.58 0.00 47 I 7.72 3.72 2.02 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 1.66 0.73 0.90 0.00 0.00 48 N 7.75 4.32 0.00 2.81 3.07 0.00 0.00 7.18 8.63 0.00 0.00 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 A 7.65 4.00 1.33 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 50 V 7.87 4.08 1.80 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 0.70 0.00 0.00 0.90 0.00 0.00 51 S 8.02 4.17 0.00 4.09 4.27 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 52 F 8.56 4.63 0.00 3.23 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 53 M 7.76 4.68 0.00 1.47 1.48 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.02 0.00 54 V 7.75 5.17 2.04 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 0.73 0.00 0.00 0.95 0.00 0.00 55 K 8.39 4.47 0.00 1.70 1.67 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.66 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.38 7.81 56 V 7.96 4.04 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 0.85 0.00 0.00 0.92 0.00 0.00 57 E 9.06 4.69 0.00 2.00 1.77 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 2.22 2.42 0.00 58 E 8.79 4.25 0.00 1.89 1.80 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 2.19 2.31 0.00