NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5129 8.3044 120.3268 55.5158 33.7293 173.7525 2 Q 4.4036 8.4508 121.9826 56.2743 34.4644 175.0141 3 L 4.0682 7.8770 116.7611 57.6699 43.0515 178.9044 4 V 3.7862 7.6919 118.5769 64.2653 31.6215 178.1262 5 L 3.9132 7.8634 120.6523 57.8905 41.8383 178.5529 6 A 4.1913 8.0130 120.1526 54.9246 18.3919 179.1093 7 A 4.0663 7.6426 117.3501 54.2836 18.3460 179.7983 8 K 3.8528 7.7269 117.6187 59.2411 31.8927 178.8547 9 Y 4.2482 7.4737 116.4996 60.6760 37.6553 177.8213 10 I 3.8780 7.6821 121.0217 64.2765 36.6960 178.6336 11 G 3.3474 8.1525 105.8518 47.0916 0.0000 175.5769 12 A 4.1967 7.5713 122.8750 54.6156 18.3457 179.4949 13 G 3.4544 7.7704 102.9835 46.8587 0.0000 175.3457 14 I 4.1373 7.2635 121.7442 63.2189 37.1843 177.6160 15 S 4.3625 7.7413 113.4491 60.2299 63.0119 175.9785 16 T 3.7594 7.3467 112.3504 64.2562 68.6711 176.7826 17 I 3.8991 7.7062 123.2121 63.8976 36.8671 177.6846 18 G 3.8740 7.4514 104.1224 45.8442 0.0000 174.4807 19 L 4.4489 7.6095 120.6884 55.0998 41.9607 178.3632 20 L 4.1481 7.7984 121.2820 57.5004 41.6406 179.3996 21 G 3.6610 8.1836 105.0478 47.1322 0.0000 174.9680 22 A 4.4075 7.8837 122.7495 53.7610 18.7171 179.8822 23 G 3.5151 7.8047 104.1321 48.2331 0.0000 175.9703 24 I 3.8415 7.9272 123.1048 63.3674 37.3926 178.3839 25 G 3.9854 7.9727 107.5856 47.5611 0.0000 175.5992 26 I 3.8939 7.7785 121.9427 63.3309 37.0543 178.5804 27 A 4.0273 7.5233 121.5702 55.3374 18.3485 179.7492 28 I 3.6936 7.7072 118.1157 64.5223 36.9471 178.8947 29 V 3.6144 7.5351 117.6672 65.9991 31.3109 177.5420 30 F 4.0268 8.5789 120.1839 60.8835 39.2439 177.2124 31 A 4.1139 8.6664 120.8138 54.9564 18.1690 179.4656 32 A 3.9745 8.0287 119.4563 55.1780 18.3005 179.6075 33 L 3.8748 7.6140 118.5746 58.1740 41.8409 179.3569 34 I 3.8138 7.5630 119.5767 64.0300 37.0626 176.9116 35 N 4.5820 8.1354 115.1017 54.4912 38.8809 176.2378 36 G 3.8334 7.7480 106.2001 47.8575 0.0000 176.2611 37 V 3.9345 7.4410 112.7860 63.0614 31.8327 177.5205 38 S 4.3789 7.5150 113.0658 59.6011 63.0003 174.5426 39 R 4.5272 7.7727 118.0097 56.1478 31.3998 175.4504 40 N 5.0518 7.6613 114.1599 52.2533 39.8412 172.7952 41 P 4.3873 0.0000 0.0000 65.2290 31.5787 178.1869 42 S 4.0528 7.1675 112.7743 61.4139 62.6019 173.7889 43 I 4.0179 7.4221 121.0098 61.0931 37.8896 174.7635 44 K 4.5264 8.5641 124.5260 58.3867 35.2248 177.5502 45 D 4.5694 8.1456 114.3102 54.9816 39.9461 176.9095 46 T 4.4536 7.8900 117.7416 64.4248 71.2105 176.2278 47 V 3.9416 7.6601 119.4666 64.7074 31.6663 177.6751 48 F 3.8438 8.2528 121.0344 60.5347 38.8515 175.3231 49 P 4.4011 0.0000 0.0000 66.2428 31.3532 178.2934 50 M 4.0801 7.6338 113.6473 57.6981 30.8667 178.2815 51 A 3.8900 7.8152 121.2703 55.1705 18.8871 179.3691 52 I 3.7967 7.4755 118.2096 64.3765 36.9514 178.6375 53 L 4.1717 7.6999 119.7155 57.7794 41.4590 179.7866 54 G 3.7509 8.1309 105.1476 47.1468 0.0000 175.6849 55 F 4.2427 8.0879 122.7134 61.4983 39.3109 177.1473 56 A 3.7604 8.0143 118.2065 54.8444 18.3533 179.1186 57 L 4.0643 7.5609 116.5477 57.7381 40.6104 179.0688 58 S 4.2215 7.9940 112.2183 60.0106 62.6156 175.3049 59 E 3.7590 8.1515 121.7219 57.9549 29.1290 178.1785 60 A 3.6574 7.3349 121.0741 55.7067 18.0473 179.7049 61 T 4.0984 7.5735 108.1736 64.3367 68.4658 175.6743 62 G 3.7328 7.5795 106.0388 45.0703 0.0000 174.3999 63 L 4.4445 7.6659 121.0534 56.3655 43.1363 178.4487 64 F 4.3464 7.4880 116.9397 61.1305 38.7901 177.5387 65 C 4.3082 7.6015 114.0605 62.2822 28.1885 175.5927 66 L 4.0793 7.7628 122.0243 58.1563 41.8885 178.5036 67 M 4.4877 8.3735 118.8866 58.1660 31.6761 178.8241 68 V 3.6951 7.6141 117.8939 65.8502 31.7981 177.9256 69 S 4.1648 7.5999 113.5342 61.3165 62.9009 176.4825 70 F 4.5605 7.8585 120.6811 59.7863 38.7609 176.5336 71 L 4.4554 7.9041 117.0843 54.9620 41.1964 177.7336 72 L 4.7642 7.7203 117.3543 53.8826 43.9483 176.7677 73 L 4.3168 7.9816 115.9682 55.8229 43.5514 177.4153 74 F 5.1859 8.2318 113.3410 56.8646 41.0308 175.3776 75 G 3.8532 8.2267 107.3851 44.7268 0.0000 173.4467 76 V 3.6725 5.4500 122.0605 63.3059 33.0308 170.6912 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 8.30 4.51 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 Q 8.45 4.40 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.28 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.47 0.00 3 L 7.88 4.07 0.00 1.65 1.71 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 4 V 7.69 3.79 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 0.83 0.00 0.00 0.90 0.00 0.00 5 L 7.86 3.91 0.00 1.75 1.86 0.86 1.25 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 6 A 8.01 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 7 A 7.64 4.07 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 8 K 7.73 3.85 0.00 1.33 1.76 0.00 1.40 0.00 0.00 1.46 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.56 7.81 9 Y 7.47 4.25 0.00 2.99 2.88 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 0.00 0.00 0.00 10 I 7.68 3.88 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.09 0.92 0.00 0.00 11 G 8.15 3.35 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 0.00 12 A 7.57 4.20 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 13 G 7.77 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.26 4.14 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 1.57 0.96 0.90 0.00 0.00 15 S 7.74 4.36 0.00 4.06 4.09 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.35 3.76 4.21 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 1.20 0.00 0.00 17 I 7.71 3.90 1.97 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 1.45 0.72 0.91 0.00 0.00 18 G 7.45 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 19 L 7.61 4.45 0.00 1.86 1.70 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.80 4.15 0.00 1.65 1.72 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.18 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.88 4.41 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.80 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.93 3.84 1.88 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 1.46 1.06 0.92 0.00 0.00 25 G 7.97 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 26 I 7.78 3.89 2.10 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.86 1.28 0.00 0.00 27 A 7.52 4.03 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 28 I 7.71 3.69 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.27 0.93 0.00 0.00 29 V 7.54 3.61 2.18 0.00 0.00 0.00 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 1.05 0.00 0.00 30 F 8.58 4.03 0.00 3.30 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 31 A 8.67 4.11 1.46 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 32 A 8.03 3.97 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 33 L 7.61 3.87 0.00 1.48 1.53 0.81 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.56 3.81 2.08 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.04 0.96 0.00 0.00 35 N 8.14 4.58 0.00 2.73 2.83 0.00 0.00 7.17 8.06 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 36 G 7.75 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 0.00 0.00 0.00 37 V 7.44 3.93 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 0.86 0.00 0.00 1.06 0.00 0.00 38 S 7.51 4.38 0.00 3.97 3.92 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 39 R 7.77 4.53 0.00 1.73 1.89 0.00 3.25 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 40 N 7.66 5.05 0.00 2.84 2.77 0.00 0.00 6.81 7.59 0.00 0.00 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 P 0.00 4.39 0.00 2.22 2.19 0.00 3.84 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 42 S 7.17 4.05 0.00 3.89 4.02 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 0.00 0.00 0.00 0.00 43 I 7.42 4.02 1.88 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 1.30 0.92 0.92 0.00 0.00 44 K 8.56 4.53 0.00 1.73 1.69 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.75 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.51 7.81 45 D 8.15 4.57 0.00 2.69 2.64 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 46 T 7.89 4.45 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 1.22 0.00 0.00 47 V 7.66 3.94 2.09 0.00 0.00 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 0.94 0.00 0.00 48 F 8.25 3.84 0.00 3.25 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 49 P 0.00 4.40 0.00 2.35 2.36 0.00 3.77 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 50 M 7.63 4.08 0.00 2.31 2.36 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.69 0.00 51 A 7.82 3.89 1.07 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 52 I 7.48 3.80 2.04 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.21 0.99 0.00 0.00 53 L 7.70 4.17 0.00 1.90 1.74 0.94 0.90 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 54 G 8.13 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 55 F 8.09 4.24 0.00 3.15 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.01 3.76 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.56 4.06 0.00 1.90 1.72 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.99 4.22 0.00 3.92 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 59 E 8.15 3.76 0.00 1.28 1.61 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 1.93 2.11 0.00 60 A 7.33 3.66 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 7.57 4.10 4.29 0.00 0.00 0.00 0.00 0.00 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 62 G 7.58 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 63 L 7.67 4.44 0.00 1.25 1.42 0.69 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 64 F 7.49 4.35 0.00 3.09 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 65 C 7.60 4.31 0.00 2.83 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 66 L 7.76 4.08 0.00 1.92 1.83 0.90 1.16 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 67 M 8.37 4.49 0.00 2.24 2.34 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.66 0.00 68 V 7.61 3.70 2.23 0.00 0.00 0.00 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 1.03 0.00 0.00 69 S 7.60 4.16 0.00 3.98 3.92 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 70 F 7.86 4.56 0.00 3.33 3.20 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 71 L 7.90 4.46 0.00 1.90 1.71 0.98 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.72 4.76 0.00 1.57 1.73 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.98 4.32 0.00 1.13 0.91 0.77 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.23 5.19 0.00 3.18 2.99 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 75 G 8.23 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 5.45 3.67 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 0.67 0.00 0.00 0.91 0.00 0.00