NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3007 8.2644 123.5803 52.0018 19.1993 174.7015 2 L 4.3744 8.0878 121.0817 55.2549 44.2090 176.3893 3 K 4.4202 7.6197 115.1231 55.5474 34.0633 177.4127 4 K 4.1917 7.8265 121.8181 59.4468 32.9124 177.9415 5 H 4.2701 7.8464 116.0874 58.8425 28.3487 177.0854 6 H 4.3244 8.2510 118.6820 58.9536 28.5797 177.3292 7 E 4.0586 8.1296 119.9828 58.9246 29.2354 179.0128 8 N 4.2438 8.0490 117.5310 56.8750 39.3345 176.9661 9 E 4.0301 8.1389 119.1812 59.0241 29.6044 179.4612 10 I 3.7058 7.7101 120.6510 64.2918 37.2393 178.4837 11 S 4.1580 7.9968 115.1037 61.5341 62.8359 176.1227 12 H 4.1907 8.0349 121.4616 59.5073 29.6667 177.0410 13 H 4.1081 7.7830 117.2469 58.3518 28.3732 177.7906 14 A 3.9217 7.7088 122.4307 55.2160 18.3944 179.7890 15 K 4.1191 7.8983 115.6255 58.6611 32.0411 179.2449 16 E 4.0947 7.9123 119.1719 58.8780 29.6488 178.5082 17 I 3.8315 7.7913 118.6794 63.6657 38.0333 177.7308 18 E 4.0443 8.1772 119.6679 59.1103 29.5163 178.9754 19 R 4.0108 8.0399 118.6614 58.9766 30.0966 178.5789 20 L 4.0330 7.9617 119.2837 57.5848 41.6720 179.0204 21 Q 3.9421 7.9265 119.1508 59.0909 29.0383 178.2600 22 K 3.9698 7.9262 120.2889 59.4221 32.1446 178.4139 23 E 3.9960 8.1254 119.5330 59.0930 29.5276 178.8270 24 I 3.7415 7.8114 113.3578 63.9120 37.5872 177.7805 25 E 3.8885 8.0438 120.7090 58.9139 29.4687 178.6103 26 R 3.8524 7.7955 118.1538 60.0818 30.2570 178.3007 27 H 4.2614 8.0369 116.4625 57.8640 28.7290 177.5811 28 K 4.0786 8.0319 121.6184 58.9307 31.9844 178.5695 29 Q 4.0469 8.0255 120.5062 58.7821 28.5010 177.9817 30 S 4.1600 7.9539 115.1075 61.2725 63.3318 176.2482 31 I 3.8147 7.7253 121.6501 63.2841 37.8297 177.6230 32 K 4.0398 7.9724 120.2727 58.8281 32.1534 178.6448 33 K 4.0406 8.0907 120.1058 59.0737 31.6752 178.7467 34 L 4.1101 7.9692 119.3040 57.1142 41.3616 179.0952 35 K 4.0255 7.7403 118.7030 59.1448 32.5837 178.3295 36 Q 4.1024 8.0150 119.5110 58.8244 28.5533 177.7695 37 S 4.2687 8.0285 113.7452 60.7972 62.1875 175.5633 38 E 4.0691 7.7090 120.7598 58.8263 29.4193 177.8146 39 D 4.4292 7.6632 116.2219 55.4089 41.4722 175.3949 40 D 4.9052 6.7251 116.7764 52.8107 43.2596 175.6095 41 D 4.2095 8.2484 120.8998 54.0745 38.7360 175.4852 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 8.26 4.30 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 2 L 8.09 4.37 0.00 1.62 1.61 0.92 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 3 K 7.62 4.42 0.00 1.66 1.68 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 1.35 7.81 4 K 7.83 4.19 0.00 2.00 2.02 0.00 1.40 0.00 0.00 1.87 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.49 7.81 5 H 7.85 4.27 0.00 3.40 3.63 0.00 5.48 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 H 8.25 4.32 0.00 3.40 3.42 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.13 4.06 0.00 2.19 2.00 0.00 0.00 0.00 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 2.32 0.00 8 N 8.05 4.24 0.00 2.99 2.81 0.00 0.00 7.07 7.76 0.00 0.00 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 E 8.14 4.03 0.00 2.06 1.97 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 2.45 2.42 0.00 10 I 7.71 3.71 2.07 0.00 0.00 0.82 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 0.93 0.93 0.00 0.00 11 S 8.00 4.16 0.00 4.07 4.26 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 12 H 8.03 4.19 0.00 3.26 3.44 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 H 7.78 4.11 0.00 3.29 3.23 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.71 3.92 1.38 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 0.00 0.00 15 K 7.90 4.12 0.00 1.82 1.88 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 16 E 7.91 4.09 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 17 I 7.79 3.83 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 1.51 1.61 1.02 0.00 0.00 18 E 8.18 4.04 0.00 2.26 1.97 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 2.32 2.31 0.00 19 R 8.04 4.01 0.00 2.01 1.97 0.00 3.10 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 20 L 7.96 4.03 0.00 1.83 1.69 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 7.93 3.94 0.00 2.30 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 22 K 7.93 3.97 0.00 1.86 1.79 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.45 7.81 23 E 8.13 4.00 0.00 2.28 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 0.00 2.36 2.34 0.00 24 I 7.81 3.74 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 1.41 0.59 0.97 0.00 0.00 25 E 8.04 3.89 0.00 2.07 2.10 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 2.31 2.33 0.00 26 R 7.80 3.85 0.00 1.97 1.95 0.00 3.19 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 27 H 8.04 4.26 0.00 3.31 3.33 0.00 5.67 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.03 4.08 0.00 2.01 1.97 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 29 Q 8.03 4.05 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 30 S 7.95 4.16 0.00 4.08 4.07 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 31 I 7.73 3.81 1.89 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 1.42 1.20 1.00 0.00 0.00 32 K 7.97 4.04 0.00 2.08 1.79 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.48 7.81 33 K 8.09 4.04 0.00 2.09 1.77 0.00 1.56 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.52 7.81 34 L 7.97 4.11 0.00 1.98 1.69 0.97 0.73 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 35 K 7.74 4.03 0.00 2.00 1.81 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.44 7.81 36 Q 8.01 4.10 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 37 S 8.03 4.27 0.00 4.19 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 38 E 7.71 4.07 0.00 2.25 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 39 D 7.66 4.43 0.00 2.77 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 D 6.73 4.91 0.00 2.69 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.25 4.21 0.00 2.74 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