NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3136 8.2493 123.5806 52.3672 19.2063 174.5386 2 C 4.5645 7.9116 115.8663 53.3720 44.7909 173.2162 3 G 3.9483 9.1794 110.5637 47.2476 0.0000 173.8962 4 I 4.9763 8.1549 117.9312 58.3767 40.7692 176.2322 5 L 4.3236 8.8138 121.3390 57.8165 40.1021 177.1980 6 H 4.9789 7.5222 115.7466 54.7806 28.1123 172.8092 7 D 4.9791 8.6091 120.1555 53.1468 43.2147 175.0932 8 N 5.2268 8.7555 123.6122 53.5805 37.7352 174.5048 9 C 4.8674 8.5083 121.0743 56.0315 47.4759 172.1796 10 V 4.7013 8.0726 113.9213 59.2035 34.5834 176.5371 11 Y 4.3027 7.0693 124.4154 56.6253 36.0606 175.2760 12 V 4.1435 7.1724 115.5801 57.9133 32.5206 174.5650 13 P 4.0229 0.0000 0.0000 64.8606 31.8220 177.8110 14 A 4.0192 7.8793 120.2785 54.7713 18.7307 177.2100 15 Q 4.4360 7.4389 115.0105 54.4560 29.0379 175.3925 16 N 4.1696 8.0070 116.5267 53.8107 39.5362 172.2128 17 P 4.4899 0.0000 0.0000 63.6216 32.2072 176.4384 18 C 5.0501 7.9279 117.0594 56.1793 37.6904 172.6318 19 C 4.5143 8.7771 118.4137 56.5912 40.9559 172.9269 20 R 4.0892 8.7994 124.2610 60.0182 29.2400 174.6544 21 G 3.4793 8.5522 118.2315 44.9652 0.0000 171.9908 22 L 4.9602 8.0887 120.7281 52.9906 44.4208 175.9656 23 Q 4.5138 9.2753 122.6792 54.3128 32.3923 173.5513 24 C 4.6620 8.9225 124.1309 57.1937 42.5172 172.5000 25 R 4.5637 9.1569 124.6250 54.3981 32.6690 174.2462 26 Y 4.5817 8.6645 122.7680 59.9172 36.6262 174.4473 27 G 3.7005 8.5412 118.7698 44.8924 0.0000 171.3049 28 K 5.0612 7.9621 120.1275 55.1195 36.3151 174.1063 29 C 4.8234 9.3843 123.1826 56.2944 39.6978 172.4734 30 L 4.5891 9.2329 128.2519 54.0070 42.9252 176.9422 31 V 3.9752 8.3513 123.3700 60.9109 31.4892 176.8944 32 Q 4.3784 7.9397 130.5464 55.5854 26.1289 176.4256 33 V 4.0376 7.3154 116.3779 61.4182 32.3635 176.1139 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 A 8.25 4.31 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.91 4.56 0.00 3.16 3.08 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 3 G 9.18 3.95 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 0.00 0.00 0.00 4 I 8.15 4.98 1.78 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.01 0.94 0.00 0.00 5 L 8.81 4.32 0.00 1.79 1.86 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 6 H 7.52 4.98 0.00 3.09 3.36 0.00 5.69 0.00 0.00 0.00 0.00 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.61 4.98 0.00 2.74 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.76 5.23 0.00 2.83 2.87 0.00 0.00 6.15 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 C 8.51 4.87 0.00 3.08 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 10 V 8.07 4.70 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.95 0.00 0.00 11 Y 7.07 4.30 0.00 2.17 1.60 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.17 4.14 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 0.86 0.00 0.00 0.94 0.00 0.00 13 P 0.00 4.02 0.00 1.82 1.90 0.00 3.25 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.11 0.00 14 A 7.88 4.02 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 Q 7.44 4.44 0.00 1.85 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 16 N 8.01 4.17 0.00 2.80 2.70 0.00 0.00 7.21 7.85 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 17 P 0.00 4.49 0.00 2.23 2.24 0.00 3.69 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 18 C 7.93 5.05 0.00 3.11 3.12 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 0.00 0.00 0.00 0.00 19 C 8.78 4.51 0.00 2.87 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.80 4.09 0.00 1.79 1.89 0.00 3.26 0.00 0.00 3.22 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 21 G 8.55 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.09 4.96 0.00 1.48 1.67 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 9.28 4.51 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.09 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 24 C 8.92 4.66 0.00 2.85 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 25 R 9.16 4.56 0.00 1.87 1.95 0.00 3.14 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 26 Y 8.66 4.58 0.00 2.95 2.91 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 27 G 8.54 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.96 5.06 0.00 1.82 1.89 0.00 1.34 0.00 0.00 1.60 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.41 7.81 29 C 9.38 4.82 0.00 2.98 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 9.23 4.59 0.00 1.75 1.57 0.92 0.92 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 31 V 8.35 3.98 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 0.62 0.00 0.00 0.93 0.00 0.00 32 Q 7.94 4.38 0.00 2.14 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 33 V 7.32 4.04 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 0.76 0.00 0.00 1.01 0.00 0.00