NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8549 8.3549 109.7373 45.7635 0.0000 175.6325 4 I 3.2344 8.0177 119.5708 60.2083 34.7352 170.1016 5 R 4.6392 8.4307 123.0119 55.1524 35.6660 173.2755 6 E 4.5207 8.5386 119.5780 55.4860 31.1154 176.7649 7 K 4.8302 8.5578 122.6372 56.5527 33.5346 176.1479 8 I 4.7614 8.6764 114.6587 60.0419 41.6945 173.9943 9 K 5.0074 8.2806 121.9049 54.8993 36.4696 174.8215 10 L 5.0215 8.5433 125.2558 52.5082 43.0000 176.8865 11 V 3.6337 8.0675 117.6523 60.4873 33.1836 176.1806 12 S 3.1498 8.3789 119.4024 58.7283 62.9797 175.6422 13 S 3.6822 7.6644 119.3694 61.4594 63.1309 175.3586 14 A 4.0449 8.0796 122.7014 52.3868 19.3200 177.7627 15 G 4.0486 9.4117 100.9895 46.4408 0.0000 172.0108 16 T 4.4878 7.9701 113.5741 61.4443 70.2514 173.2793 17 G 4.1989 8.5145 109.7831 45.4408 0.0000 173.8355 18 H 4.2062 8.2468 116.5474 55.7561 29.3067 174.7436 19 F 5.2529 8.5240 119.9434 56.0605 42.1587 174.2604 20 Y 4.5963 8.9078 122.1637 57.4437 39.1126 174.4202 21 T 4.7523 8.3538 121.2920 62.1500 71.2789 173.5009 22 T 4.5516 8.4368 119.7530 61.9713 71.8193 170.9409 23 T 5.0373 8.0658 112.6571 59.6603 72.6055 172.9513 24 K 4.2784 8.4455 120.1249 55.7657 35.6725 173.0316 25 N 4.6524 8.4947 127.0771 53.6826 39.5802 174.5058 26 K 4.8346 8.2950 123.2170 55.4215 33.6832 177.4197 27 R 4.0732 8.3006 120.2267 60.0137 30.2861 178.2595 28 T 3.9865 8.0831 106.7375 64.0806 68.5934 175.0666 29 K 4.3784 7.4895 125.1236 52.7459 33.4471 172.6610 30 P 4.5571 0.0000 0.0000 63.0446 31.6155 175.9283 31 E 4.6966 8.1736 120.6776 55.3918 33.2917 174.7504 32 K 4.5611 8.2881 119.3133 54.4816 35.1743 176.2067 33 L 4.2079 8.2157 125.5018 54.6185 42.0737 176.4037 34 E 5.4840 8.8596 125.0095 53.4782 31.5078 174.9592 35 L 4.4555 9.0247 123.6461 54.9976 45.6514 172.7094 36 K 4.4885 8.8180 123.9471 56.1220 32.0137 174.7456 37 K 4.8600 8.8757 119.9108 54.5526 37.4401 175.1712 38 F 4.6424 8.9115 124.3401 58.7364 40.1644 173.5830 39 D 4.7930 8.3977 127.1254 52.1879 42.0672 175.1225 40 P 4.3248 0.0000 0.0000 63.9133 32.3169 177.5309 41 V 3.7804 7.6788 118.8044 65.8871 31.5687 177.5320 42 V 3.7705 7.6330 110.1212 61.7413 32.0824 175.9826 43 R 4.0176 7.8172 117.4792 57.3538 27.5228 175.2351 44 Q 4.8798 7.6431 116.3189 54.6103 33.5854 173.4430 45 H 5.3717 9.1734 124.1804 55.6575 30.9413 174.4570 46 V 4.5905 8.6107 124.3217 60.1663 35.4825 173.1990 47 I 4.3323 8.2413 114.3145 61.5092 38.9079 174.6610 48 Y 4.1244 9.5135 121.8945 56.5081 41.2147 174.9378 49 K 4.5951 8.3884 125.6978 55.9548 35.9500 175.8472 50 E 3.8554 8.7113 118.6913 58.5416 28.2154 173.2782 51 A 5.0283 8.0168 129.9299 53.2882 20.2731 177.3184 52 K 4.1328 7.8264 127.3960 57.6609 32.8757 177.0491 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 G 8.35 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 4 I 8.02 3.23 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 1.42 0.52 0.91 0.00 0.00 5 R 8.43 4.64 0.00 1.66 1.79 0.00 3.36 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 6 E 8.54 4.52 0.00 2.06 1.85 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 2.28 2.45 0.00 7 K 8.56 4.83 0.00 1.64 1.73 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.56 1.44 7.81 8 I 8.68 4.76 1.88 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 1.37 1.31 1.00 0.00 0.00 9 K 8.28 5.01 0.00 1.59 1.71 0.00 1.63 0.00 0.00 1.39 0.00 0.00 2.13 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.54 1.23 7.81 10 L 8.54 5.02 0.00 1.58 1.72 1.02 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.07 3.63 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 0.75 0.00 0.00 0.86 0.00 0.00 12 S 8.38 3.15 0.00 3.67 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.66 3.68 0.00 3.74 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 14 A 8.08 4.04 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 15 G 9.41 4.05 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 0.00 0.00 0.00 16 T 7.97 4.49 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 1.31 0.00 0.00 17 G 8.51 4.20 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 0.00 18 H 8.25 4.21 0.00 3.23 3.31 0.00 5.65 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.52 5.25 0.00 3.03 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.91 4.60 0.00 2.91 2.97 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 21 T 8.35 4.75 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 22 T 8.44 4.55 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 23 T 8.07 5.04 4.34 0.00 0.00 0.00 0.00 0.00 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 24 K 8.45 4.28 0.00 1.87 1.68 0.00 1.53 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.19 1.23 7.81 25 N 8.49 4.65 0.00 2.82 2.72 0.00 0.00 6.70 6.75 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 26 K 8.29 4.83 0.00 1.89 1.82 0.00 1.24 0.00 0.00 0.77 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.37 7.81 27 R 8.30 4.07 0.00 1.95 2.03 0.00 3.21 0.00 0.00 3.40 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 28 T 8.08 3.99 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 1.25 0.00 0.00 29 K 7.49 4.38 0.00 1.96 1.82 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.39 7.81 30 P 0.00 4.56 0.00 2.03 2.02 0.00 3.72 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.23 0.00 31 E 8.17 4.70 0.00 1.91 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 2.21 2.44 0.00 32 K 8.29 4.56 0.00 1.57 1.75 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.70 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.36 7.81 33 L 8.22 4.21 0.00 1.66 1.66 0.94 0.85 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 34 E 8.86 5.48 0.00 1.92 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.03 0.00 35 L 9.02 4.46 0.00 1.80 1.74 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.82 4.49 0.00 1.89 1.68 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.31 1.77 7.81 37 K 8.88 4.86 0.00 0.98 1.50 0.00 1.63 0.00 0.00 1.39 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.34 7.81 38 F 8.91 4.64 0.00 3.10 3.07 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 39 D 8.40 4.79 0.00 2.86 2.50 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 40 P 0.00 4.32 0.00 2.25 2.23 0.00 3.74 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 41 V 7.68 3.78 2.14 0.00 0.00 0.00 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 0.93 0.00 0.00 42 V 7.63 3.77 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 0.73 0.00 0.00 0.90 0.00 0.00 43 R 7.82 4.02 0.00 2.04 2.20 0.00 3.20 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 44 Q 7.64 4.88 0.00 2.16 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 45 H 9.17 5.37 0.00 3.45 3.36 0.00 6.00 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.61 4.59 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.90 0.00 0.00 47 I 8.24 4.33 1.84 0.00 0.00 0.78 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 0.38 0.94 0.00 0.00 48 Y 9.51 4.12 0.00 2.98 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 49 K 8.39 4.60 0.00 1.60 1.68 0.00 1.73 0.00 0.00 1.55 0.00 0.00 2.70 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.28 7.81 50 E 8.71 3.86 0.00 2.23 1.99 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 2.24 2.20 0.00 51 A 8.02 5.03 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.83 4.13 0.00 1.91 1.88 0.00 1.38 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.55 1.37 7.81