NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1014 8.0093 120.7867 61.0803 39.1450 174.5468 2 T 4.4659 8.2022 116.1232 59.5622 71.2178 171.6112 3 A 4.6768 8.7026 124.9626 50.5103 23.1990 177.5561 4 K 4.2695 8.2898 118.8407 55.3319 32.8848 175.8164 5 P 4.3769 0.0000 0.0000 61.8657 31.9184 176.4580 6 A 4.0073 8.5147 122.8961 52.9098 18.5541 178.3589 7 K 4.2067 8.7608 122.9345 59.1079 32.6545 177.7829 8 T 4.6088 7.3167 107.2227 58.1544 68.4098 170.9297 9 P 4.1253 0.0000 0.0000 64.2559 32.2330 176.4321 10 T 5.1183 8.4063 118.2531 60.8611 69.0703 174.9854 11 S 4.3963 8.2394 122.0956 57.2464 65.2655 172.9525 12 P 4.1958 0.0000 0.0000 65.6390 30.9523 178.8407 13 K 3.9064 7.9661 117.8003 59.6606 32.2391 178.5119 14 E 3.9946 8.1426 118.7748 59.5956 29.2258 179.4810 15 Q 3.9985 8.2629 118.0257 58.7381 28.6621 178.5070 16 A 3.9157 8.0817 121.9815 54.9375 18.2999 179.6249 17 I 3.7017 7.7781 118.4882 64.4797 37.2692 178.5997 18 G 3.7221 8.1661 106.3669 47.9360 0.0000 174.9108 19 L 3.8893 8.0725 123.3050 57.9910 42.0506 178.9241 20 S 4.0263 8.1690 115.0079 61.9953 62.9037 177.2952 21 V 3.6852 8.0952 120.6602 66.0483 31.0657 178.3539 22 T 4.0508 8.0297 115.6315 66.8582 68.5322 176.8131 23 F 4.2715 9.2005 120.0851 60.6789 38.8588 177.7990 24 L 4.2261 8.4581 118.8638 57.5200 41.1614 179.5820 25 S 4.1936 8.1288 113.7985 61.1392 61.9310 176.0956 26 F 4.3000 8.2014 120.0250 59.7880 38.7692 177.8374 27 L 4.3485 8.0539 118.2882 57.2941 41.7321 179.2403 28 L 4.0389 8.1642 118.9622 57.3764 41.6644 177.5697 29 P 4.2741 0.0000 0.0000 65.7509 31.2748 178.3366 30 A 4.2314 7.6250 116.9613 55.3296 18.2074 179.7822 31 G 3.7258 8.5618 104.4262 47.7604 0.0000 175.7675 32 W 4.1516 8.3339 129.7108 60.1544 31.2469 177.8362 33 V 4.0626 8.3796 118.2956 66.4856 30.9973 178.0117 34 L 4.0584 8.4498 118.7785 58.0038 41.2654 178.8887 35 Y 3.9731 8.3081 118.8202 60.2408 38.9169 176.9474 36 H 4.2651 7.4915 114.5450 55.2044 29.1307 176.4496 37 L 3.8746 7.2800 122.9305 58.0464 41.2065 178.9553 38 D 4.2450 7.6196 116.3180 57.3904 41.3292 177.6539 39 N 4.3892 7.6611 115.4548 56.0762 38.5575 176.7343 40 Y 4.5231 7.0827 117.7530 61.4910 38.1744 177.4851 41 K 3.9674 7.9903 116.3951 58.2456 32.4066 177.3383 42 K 4.2906 7.9027 133.8137 55.9455 31.7946 177.0993 43 S 4.2317 8.1618 120.3756 58.8954 63.7063 175.1275 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 I 8.01 4.10 1.87 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 1.47 1.35 0.91 0.00 0.00 2 T 8.20 4.47 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 1.21 0.00 0.00 3 A 8.70 4.68 1.21 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 0.00 0.00 4 K 8.29 4.27 0.00 1.76 1.75 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.46 7.81 5 P 0.00 4.38 0.00 2.04 1.98 0.00 3.70 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 2.02 2.08 0.00 6 A 8.51 4.01 1.25 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 0.00 0.00 0.00 7 K 8.76 4.21 0.00 1.76 1.88 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.43 7.81 8 T 7.32 4.61 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 1.21 0.00 0.00 9 P 0.00 4.13 0.00 2.06 2.05 0.00 3.63 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 10 T 8.41 5.12 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 11 S 8.24 4.40 0.00 4.04 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 12 P 0.00 4.20 0.00 2.16 2.14 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 13 K 7.97 3.91 0.00 1.77 1.79 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.47 7.81 14 E 8.14 3.99 0.00 2.27 1.98 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 2.33 2.35 0.00 15 Q 8.26 4.00 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 16 A 8.08 3.92 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 17 I 7.78 3.70 2.05 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 1.44 0.82 0.91 0.00 0.00 18 G 8.17 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 19 L 8.07 3.89 0.00 1.81 1.64 0.74 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.17 4.03 0.00 4.02 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 21 V 8.10 3.69 2.12 0.00 0.00 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 1.00 0.00 0.00 22 T 8.03 4.05 4.63 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 0.00 0.00 0.00 1.42 0.00 0.00 23 F 9.20 4.27 0.00 2.92 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 24 L 8.46 4.23 0.00 1.78 1.78 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.13 4.19 0.00 4.04 4.06 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 26 F 8.20 4.30 0.00 3.20 3.05 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 27 L 8.05 4.35 0.00 1.83 1.78 1.02 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.16 4.04 0.00 1.72 1.75 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.27 0.00 2.17 2.10 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.13 0.00 30 A 7.62 4.23 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 31 G 8.56 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.33 4.15 0.00 3.32 3.50 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 33 V 8.38 4.06 2.42 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 1.20 0.00 0.00 1.31 0.00 0.00 34 L 8.45 4.06 0.00 2.01 1.76 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.31 3.97 0.00 3.02 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 36 H 7.49 4.27 0.00 2.65 2.18 0.00 5.89 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.28 3.87 0.00 1.72 1.67 0.94 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.62 4.24 0.00 2.48 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 39 N 7.66 4.39 0.00 2.49 2.74 0.00 0.00 6.93 7.46 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 40 Y 7.08 4.52 0.00 3.07 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 41 K 7.99 3.97 0.00 1.89 1.71 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.52 7.81 42 K 7.90 4.29 0.00 1.69 1.74 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.51 7.81 43 S 8.16 4.23 0.00 4.10 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