NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1191 8.0093 120.7866 61.0254 39.1812 174.4725 2 T 4.4551 8.2796 116.5624 59.4012 70.9216 171.8895 3 A 4.6914 8.8129 126.3128 50.3526 23.3023 177.2073 4 K 4.3107 8.3119 119.0947 55.1278 32.9980 175.6459 5 P 4.3696 0.0000 0.0000 61.9372 31.8452 176.6116 6 A 4.0336 8.4844 123.4385 52.7657 18.6062 178.3792 7 K 4.2009 8.7486 122.8820 59.0376 32.6845 177.7279 8 T 4.5983 7.3187 107.2209 58.0318 68.3414 170.7164 9 P 4.0447 0.0000 0.0000 64.3436 32.2034 176.2458 10 T 5.2298 8.4835 118.9555 61.1174 68.8068 175.2824 11 S 4.3846 8.4281 122.0842 57.3000 65.2930 172.9458 12 P 4.1892 0.0000 0.0000 65.7568 30.9934 178.8822 13 K 3.9293 7.9453 117.7634 59.5315 32.1945 178.5031 14 E 3.9669 7.9301 118.8561 59.6888 29.3131 179.4859 15 Q 3.9730 8.4897 118.0995 58.7389 28.6144 178.6584 16 A 3.9271 8.0028 122.0155 54.9468 18.3632 179.7686 17 I 3.7094 7.8401 118.4926 64.5300 37.1737 178.8120 18 G 3.6728 8.1774 106.5702 47.6770 0.0000 175.3762 19 L 3.8971 8.1795 123.0892 57.9966 42.1104 179.1904 20 S 4.0521 8.1454 115.2664 61.5785 62.7584 176.9041 21 V 3.6309 8.2468 121.2116 66.2787 31.4357 178.1356 22 T 4.0354 8.2542 115.5767 66.9484 68.4093 176.5849 23 F 4.0949 9.0566 119.9400 60.6709 38.8087 177.8423 24 L 4.1669 8.4574 118.9905 57.7094 41.2262 179.6167 25 S 4.1759 8.3585 113.3261 60.8694 62.1652 176.1747 26 F 4.3161 8.0923 120.3636 60.1230 39.1269 178.0325 27 L 4.2848 8.2179 118.5813 57.4736 41.3672 179.5733 28 L 4.0440 8.3329 119.3154 57.3807 41.7042 177.5513 29 P 4.2875 0.0000 0.0000 65.6420 31.2567 178.5180 30 A 4.1891 7.6323 116.4051 55.2120 18.2741 179.8298 31 G 3.6767 8.3656 104.3058 47.6450 0.0000 175.6018 32 W 4.1788 8.7906 131.1658 60.3408 30.5823 178.2296 33 V 3.8976 8.0203 116.6244 66.2893 31.1211 177.7549 34 L 4.1511 8.4361 118.9589 57.6078 41.1340 179.0042 35 Y 3.9332 7.9466 119.1538 60.8160 38.8789 176.9799 36 H 4.1320 7.4011 115.7167 55.6227 28.9148 177.0327 37 L 3.8075 6.9650 125.8246 58.5706 41.9000 178.8107 38 D 4.3285 7.6590 118.0567 57.1197 40.6322 178.1865 39 N 4.4284 7.7006 115.5248 55.4681 38.5377 176.3340 40 Y 4.6552 6.9479 117.6049 60.4465 38.6339 177.2512 41 K 4.2939 7.7023 117.9856 58.0761 32.8452 177.0948 42 K 4.4369 7.1545 119.7492 54.4548 32.6409 175.9076 43 S 4.2867 8.2636 119.8696 58.9502 63.7152 175.7806 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 4.12 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 8.28 4.46 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 8.81 4.69 1.20 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 4 K 8.31 4.31 0.00 1.76 1.76 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.46 7.81 5 P 0.00 4.37 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 8.48 4.03 1.28 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 7 K 8.75 4.20 0.00 1.76 1.88 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.43 7.81 8 T 7.32 4.60 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 4.04 0.00 2.05 2.07 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.28 0.00 10 T 8.48 5.23 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 1.24 0.00 0.00 11 S 8.43 4.38 0.00 4.04 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 12 P 0.00 4.19 0.00 2.16 2.14 0.00 3.59 0.00 0.00 3.68 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 7.95 3.93 0.00 1.77 1.79 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.46 7.81 14 E 7.93 3.97 0.00 2.24 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 8.49 3.97 0.00 2.18 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 2.58 0.00 16 A 8.00 3.93 1.32 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 0.00 0.00 0.00 17 I 7.84 3.71 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 0.75 0.91 0.00 0.00 18 G 8.18 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.18 3.90 0.00 1.73 1.67 0.66 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.15 4.05 0.00 4.04 3.89 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 0.00 0.00 0.00 21 V 8.25 3.63 2.29 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 1.08 0.00 0.00 1.02 0.00 0.00 22 T 8.25 4.04 4.59 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 0.00 0.00 0.00 1.33 0.00 0.00 23 F 9.06 4.09 0.00 3.02 3.11 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 0.00 0.00 0.00 0.00 24 L 8.46 4.17 0.00 1.97 1.78 0.96 0.72 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 25 S 8.36 4.18 0.00 4.05 4.08 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 0.00 0.00 0.00 0.00 26 F 8.09 4.32 0.00 3.22 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 4.28 0.00 1.84 1.78 0.97 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.33 4.04 0.00 1.78 1.76 0.95 1.35 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 29 P 0.00 4.29 0.00 2.17 2.10 0.00 3.81 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 2.22 2.14 0.00 30 A 7.63 4.19 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 8.37 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 W 8.79 4.18 0.00 3.52 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 8.02 3.90 2.32 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 1.15 0.00 0.00 1.40 0.00 0.00 34 L 8.44 4.15 0.00 2.02 1.74 0.98 0.98 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 35 Y 7.95 3.93 0.00 2.94 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 36 H 7.40 4.13 0.00 2.13 2.25 0.00 5.88 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 6.96 3.81 0.00 1.79 1.56 0.91 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.66 4.33 0.00 2.61 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 7.70 4.43 0.00 2.38 2.75 0.00 0.00 6.88 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 6.95 4.66 0.00 3.03 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 41 K 7.70 4.29 0.00 1.73 1.91 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.61 7.81 42 K 7.15 4.44 0.00 1.69 1.67 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.41 7.81 43 S 8.26 4.29 0.00 3.97 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