NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4416 8.2893 120.3260 54.4644 30.9785 174.7176 2 P 4.3751 0.0000 0.0000 61.6908 33.1420 174.7709 3 R 4.3308 8.9642 119.5303 56.7696 32.2570 177.6363 4 L 5.1980 8.7752 120.6022 51.6762 44.7802 175.1261 5 K 4.3752 8.4830 125.9019 56.1944 33.8034 175.5602 6 V 4.6890 8.4283 126.7411 61.2319 34.7957 173.5834 7 K 5.5483 8.3690 129.8151 53.8018 34.4479 174.9817 8 L 4.5360 8.4170 129.4781 55.3763 42.7787 177.3029 9 V 4.5652 8.3033 115.0297 60.1689 35.9792 175.2040 10 K 4.3723 8.1557 122.0475 53.9964 32.8776 175.7883 11 S 4.1967 8.7112 121.8425 57.8996 62.7883 172.3421 12 P 4.4575 0.0000 0.0000 64.3648 31.4312 175.7282 13 I 3.8369 7.3476 120.8370 64.7469 36.7358 175.9484 14 G 3.9340 8.9957 113.3084 45.2894 0.0000 172.2665 15 Y 4.6458 7.7134 117.1005 55.3092 40.0881 174.4169 16 P 4.4226 0.0000 0.0000 62.5130 33.3402 177.6553 17 K 3.9651 8.5692 119.9744 59.8496 32.2073 178.3663 18 D 4.3966 8.2450 118.9058 57.0420 38.7924 178.6673 19 Q 3.9931 8.0820 118.7619 58.4035 28.6304 178.7393 20 K 3.9436 7.8128 119.3918 59.5717 32.1817 179.3149 21 A 3.9934 8.3458 120.7438 54.7118 18.1838 179.5872 22 A 3.9157 7.8650 119.6589 55.5180 18.4995 179.8961 23 L 4.0486 7.6838 116.8441 57.0492 41.6402 179.6408 24 K 3.8208 7.7425 120.3064 59.2699 31.9741 178.6644 25 A 4.0450 7.9816 120.0938 54.7105 18.3704 178.8617 26 L 4.2308 7.9637 115.6820 54.3891 42.8059 176.4863 27 G 3.6400 7.7553 106.2640 46.5240 0.0000 174.6445 28 L 4.9101 8.6459 119.4583 52.9767 44.5836 176.3891 29 R 3.9261 9.6509 127.2209 57.4486 27.9985 179.7507 30 R 4.2808 8.8861 124.0614 55.4889 31.7060 176.2623 31 L 4.1325 8.1835 118.8387 55.7517 42.2606 175.9554 32 Q 3.7340 8.5292 118.4751 56.8940 27.1816 173.1761 33 Q 4.4558 7.3577 118.0734 55.3689 30.6756 174.4765 34 E 4.7450 8.4260 124.4317 55.6493 31.7137 176.1829 35 R 4.2024 7.7674 114.6059 56.0167 33.5750 173.4729 36 V 4.4481 8.4978 127.6830 61.9017 32.1571 174.7580 37 L 4.9139 8.3122 127.1084 52.4115 45.8153 175.9710 38 E 4.5333 8.6853 120.1174 56.4165 30.6081 176.2639 39 D 5.0321 7.7005 117.3425 54.2528 41.7509 176.6428 40 T 4.0407 7.9965 106.5563 60.6704 69.3387 172.8084 41 P 4.1953 0.0000 0.0000 65.8574 31.7081 178.6378 42 A 4.1042 7.8770 118.6727 55.4495 18.4035 179.4884 43 I 3.6844 7.5779 117.6982 64.5291 36.9840 178.9159 44 R 3.9617 8.2791 119.1589 59.3331 30.0051 179.0207 45 G 3.7464 7.8947 104.8759 48.1384 0.0000 175.3652 46 N 4.3520 7.9504 117.1376 56.1880 39.2594 177.4418 47 V 3.6863 7.6084 119.2080 65.4237 31.4926 177.8227 48 E 4.0020 8.2911 119.7391 59.1857 29.4089 178.5783 49 K 4.3095 7.7443 115.4985 57.9697 32.2760 177.9322 50 V 4.1274 7.1222 110.7395 60.6346 32.7120 177.2291 51 A 4.0760 7.9730 126.9085 55.4958 18.1673 179.9722 52 H 4.5387 7.9513 108.9284 57.0037 29.1008 175.7590 53 L 4.4218 8.1303 120.1940 55.0946 42.9924 176.2564 54 V 4.8569 7.1470 108.6152 59.5572 35.9971 175.4529 55 R 4.4748 8.5165 122.2215 54.6324 31.4418 176.2312 56 V 4.2007 8.3166 124.3753 62.7799 32.7219 175.0319 57 E 4.6911 9.1540 124.4722 54.6817 34.1201 174.9909 58 V 4.2699 8.4886 123.7540 61.7591 32.4225 175.7338 59 V 4.0585 8.0951 128.0542 62.8630 31.6217 175.2361 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 M 8.29 4.44 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 2 P 0.00 4.38 0.00 2.31 2.18 0.00 3.70 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 2.07 2.06 0.00 3 R 8.96 4.33 0.00 1.99 1.89 0.00 3.06 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 4 L 8.78 5.20 0.00 1.74 1.54 0.99 0.51 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 5 K 8.48 4.38 0.00 1.83 1.68 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.43 7.81 6 V 8.43 4.69 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 0.86 0.00 0.00 0.99 0.00 0.00 7 K 8.37 5.55 0.00 1.92 1.62 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.39 7.81 8 L 8.42 4.54 0.00 1.72 1.50 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.30 4.57 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 1.00 0.00 0.00 0.99 0.00 0.00 10 K 8.16 4.37 0.00 1.76 1.63 0.00 1.98 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.51 7.81 11 S 8.71 4.20 0.00 3.90 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 4.46 0.00 2.31 2.29 0.00 3.79 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 13 I 7.35 3.84 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.83 0.92 0.00 0.00 14 G 9.00 3.93 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 0.00 0.00 0.00 15 Y 7.71 4.65 0.00 3.12 2.90 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 16 P 0.00 4.42 0.00 2.37 2.04 0.00 3.99 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 2.20 2.21 0.00 17 K 8.57 3.97 0.00 1.80 1.82 0.00 1.77 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.46 7.81 18 D 8.25 4.40 0.00 2.92 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 19 Q 8.08 3.99 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 20 K 7.81 3.94 0.00 1.94 1.88 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.27 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.75 7.81 21 A 8.35 3.99 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.86 3.92 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.68 4.05 0.00 1.81 1.71 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.74 3.82 0.00 1.78 1.99 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.45 7.81 25 A 7.98 4.04 1.36 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 0.00 0.00 0.00 26 L 7.96 4.23 0.00 1.63 1.71 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.76 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 28 L 8.65 4.91 0.00 1.63 1.60 0.91 0.81 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 29 R 9.65 3.93 0.00 1.75 1.54 0.00 3.32 0.00 0.00 3.27 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 30 R 8.89 4.28 0.00 1.92 1.97 0.00 3.03 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 31 L 8.18 4.13 0.00 1.75 1.57 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.53 3.73 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.66 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 33 Q 7.36 4.46 0.00 2.28 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.64 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 34 E 8.43 4.75 0.00 1.88 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 35 R 7.77 4.20 0.00 1.94 1.75 0.00 3.12 0.00 0.00 3.09 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 36 V 8.50 4.45 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 0.84 0.00 0.00 0.93 0.00 0.00 37 L 8.31 4.91 0.00 1.63 1.51 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.69 4.53 0.00 1.83 1.91 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 2.31 2.37 0.00 39 D 7.70 5.03 0.00 2.90 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 4.04 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 41 P 0.00 4.20 0.00 2.04 2.17 0.00 3.68 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 2.03 2.16 0.00 42 A 7.88 4.10 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 43 I 7.58 3.68 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 1.52 1.66 0.94 0.00 0.00 44 R 8.28 3.96 0.00 2.07 1.97 0.00 3.14 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.03 0.00 45 G 7.89 3.75 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 0.00 0.00 0.00 46 N 7.95 4.35 0.00 2.70 2.87 0.00 0.00 6.84 7.68 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 47 V 7.61 3.69 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 0.97 0.00 0.00 0.96 0.00 0.00 48 E 8.29 4.00 0.00 2.13 2.13 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 2.30 2.34 0.00 49 K 7.74 4.31 0.00 1.76 1.85 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.70 1.62 7.81 50 V 7.12 4.13 1.91 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 0.73 0.00 0.00 0.96 0.00 0.00 51 A 7.97 4.08 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 52 H 7.95 4.54 0.00 3.21 3.42 0.00 5.70 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 53 L 8.13 4.42 0.00 1.58 1.69 0.58 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.15 4.86 2.13 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 0.63 0.00 0.00 0.87 0.00 0.00 55 R 8.52 4.47 0.00 1.72 1.84 0.00 3.27 0.00 0.00 3.08 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 56 V 8.32 4.20 2.07 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 0.76 0.00 0.00 0.91 0.00 0.00 57 E 9.15 4.69 0.00 1.96 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 2.21 2.37 0.00 58 V 8.49 4.27 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 0.75 0.00 0.00 0.93 0.00 0.00 59 V 8.10 4.06 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 0.87 0.00 0.00 0.93 0.00 0.00