NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4661 8.2893 120.3498 55.4346 33.5590 175.4305 2 T 4.0921 8.5165 115.1617 60.5155 71.1382 174.5305 3 K 3.9870 9.1516 121.4126 59.5857 32.4413 180.9193 4 Q 3.9185 7.9041 117.9791 58.9610 28.5992 178.4582 5 E 3.4338 8.1346 122.1451 59.4041 29.2931 180.2113 6 K 3.9836 7.9120 123.8500 60.0083 31.7282 181.6276 7 T 4.0396 8.0515 117.4579 66.5933 68.4497 176.3858 8 A 4.0305 7.8673 122.2671 55.0418 18.3279 179.4501 9 L 4.1447 8.3262 119.0459 58.5688 42.2503 178.8603 10 N 4.3844 8.6468 116.8862 56.6011 38.3938 177.0638 11 M 4.1222 8.5165 119.6059 58.6242 32.3843 178.1543 12 A 4.0430 8.2744 120.9730 55.1735 18.5458 179.6037 13 R 3.2043 8.3478 117.5116 59.1266 30.0125 178.4385 14 F 4.0622 8.3816 120.4959 61.4115 39.4440 177.0847 15 I 3.4466 7.9591 119.4711 64.2589 36.3786 178.2823 16 R 3.8134 7.8675 119.3599 59.5988 29.8793 178.7319 17 S 4.0505 7.9804 114.8056 61.7464 62.7435 176.6855 18 Q 3.8106 7.9358 121.2478 59.0941 28.2145 179.1121 19 T 3.8504 7.8963 110.7630 64.3840 68.8655 176.6483 20 L 3.8193 7.4679 122.6129 58.1393 42.1077 178.8650 21 T 3.8255 7.9177 115.7926 66.6063 68.3249 176.3423 22 L 3.9653 8.1872 122.4777 57.7467 42.0184 178.5648 23 L 3.9268 7.8449 120.4937 58.3618 41.9847 178.9786 24 E 3.9462 8.2043 118.3888 59.0406 29.2400 179.2289 25 K 3.8860 8.0250 118.6636 59.7750 32.1989 179.3776 26 L 4.0190 8.3329 119.2715 57.7063 41.5421 179.4088 27 N 4.3700 8.4088 116.8702 56.3088 38.2590 177.3070 28 E 4.0380 8.1819 119.0813 58.8537 29.6140 178.4208 29 L 4.3273 7.4335 116.4613 53.7528 42.2424 176.1012 30 D 4.2945 7.6461 117.1157 55.3742 38.9822 175.3262 31 A 4.4550 7.6807 122.7217 50.3400 18.1322 177.3875 32 D 4.2668 8.2448 123.0596 57.1068 39.7095 178.4364 33 E 3.9500 8.0786 121.1297 58.5476 29.6374 178.6196 34 Q 3.9639 8.0168 117.5471 58.8474 28.8716 178.2652 35 A 3.9783 8.4197 122.2638 55.1081 18.4848 179.4885 36 D 4.2903 8.2348 117.4792 57.5960 40.8405 178.9552 37 I 3.7156 7.9121 120.3961 64.6213 37.0729 178.1001 38 C 4.1049 8.3951 119.7405 62.2649 31.3435 175.1402 39 E 3.9399 8.6462 121.5363 59.3617 29.2040 178.8235 40 S 4.0996 8.0098 112.7825 61.0928 62.4244 175.7603 41 L 3.9614 8.1665 123.4522 58.5512 41.7929 178.4512 42 H 4.3851 8.5385 119.8133 58.9102 29.7726 176.8919 43 D 4.2901 8.1968 120.7148 57.5716 40.5877 178.3273 44 H 4.2319 8.3958 118.6656 59.0493 29.8400 177.0527 45 A 3.9853 8.4542 123.1434 55.3363 18.1072 179.1579 46 D 4.3154 8.2555 116.6251 57.3449 41.1896 178.2781 47 E 3.9465 8.3460 119.2589 59.3070 29.4083 179.0760 48 L 3.9298 8.1067 120.3283 58.2409 42.1095 178.2681 49 Y 4.2747 8.2538 119.5603 61.0627 38.8009 178.4660 50 R 3.5888 8.2653 119.0256 58.9915 30.0798 179.0334 51 S 3.9609 8.2486 113.2490 61.5053 62.4159 175.9873 52 C 3.4497 8.1785 119.6910 62.5872 27.6140 176.0945 53 L 3.8924 7.5669 119.3323 57.7075 41.2064 179.1923 54 A 4.0382 7.4647 119.6087 54.8686 18.3549 179.4778 55 R 3.8752 7.4035 116.3086 59.3659 30.3283 176.9128 56 F 4.8960 8.0279 120.9268 57.8421 39.2214 175.3624 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 8.29 4.47 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.57 0.00 2 T 8.52 4.09 4.18 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 0.00 0.00 0.00 1.16 0.00 0.00 3 K 9.15 3.99 0.00 1.79 1.87 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.50 7.81 4 Q 7.90 3.92 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 5 E 8.13 3.43 0.00 1.91 1.40 0.00 0.00 0.00 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 1.79 0.00 6 K 7.91 3.98 0.00 1.77 1.81 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.35 7.81 7 T 8.05 4.04 4.36 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 1.20 0.00 0.00 8 A 7.87 4.03 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 9 L 8.33 4.14 0.00 2.13 1.97 1.04 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.65 4.38 0.00 2.97 2.88 0.00 0.00 6.72 7.26 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 11 M 8.52 4.12 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.65 0.00 12 A 8.27 4.04 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.35 3.20 0.00 1.58 2.04 0.00 3.11 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.07 0.00 14 F 8.38 4.06 0.00 3.28 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 15 I 7.96 3.45 2.01 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.90 0.87 0.00 0.00 16 R 7.87 3.81 0.00 1.82 1.89 0.00 3.03 0.00 0.00 2.92 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 17 S 7.98 4.05 0.00 3.85 3.78 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 18 Q 7.94 3.81 0.00 1.83 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 1.36 1.49 0.00 19 T 7.90 3.85 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 1.20 0.00 0.00 20 L 7.47 3.82 0.00 1.58 1.76 0.73 0.69 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 21 T 7.92 3.83 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 22 L 8.19 3.97 0.00 1.70 1.75 0.90 0.80 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 23 L 7.84 3.93 0.00 1.87 1.80 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.20 3.95 0.00 2.14 1.95 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 2.29 2.46 0.00 25 K 8.02 3.89 0.00 1.96 1.86 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.67 7.81 26 L 8.33 4.02 0.00 1.78 1.71 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.41 4.37 0.00 2.89 2.85 0.00 0.00 6.93 7.58 0.00 0.00 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 E 8.18 4.04 0.00 2.09 2.01 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 2.34 2.55 0.00 29 L 7.43 4.33 0.00 1.70 1.69 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 30 D 7.65 4.29 0.00 2.83 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 7.68 4.46 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 32 D 8.24 4.27 0.00 2.88 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.08 3.95 0.00 2.05 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 2.37 2.40 0.00 34 Q 8.02 3.96 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 35 A 8.42 3.98 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 36 D 8.23 4.29 0.00 2.90 2.73 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 37 I 7.91 3.72 2.01 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 1.41 0.84 0.92 0.00 0.00 38 C 8.40 4.10 0.00 3.07 3.02 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 39 E 8.65 3.94 0.00 2.17 2.12 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 2.32 2.33 0.00 40 S 8.01 4.10 0.00 3.97 4.03 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.17 3.96 0.00 1.88 1.84 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 42 H 8.54 4.39 0.00 3.23 3.44 0.00 5.88 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 43 D 8.20 4.29 0.00 2.91 2.70 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 44 H 8.40 4.23 0.00 3.38 3.43 0.00 5.61 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 45 A 8.45 3.99 1.35 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 46 D 8.26 4.32 0.00 2.68 2.79 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 0.00 0.00 0.00 47 E 8.35 3.95 0.00 2.32 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 2.47 0.00 48 L 8.11 3.93 0.00 1.78 1.84 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 49 Y 8.25 4.27 0.00 2.95 3.14 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 0.00 0.00 0.00 0.00 50 R 8.27 3.59 0.00 1.95 1.88 0.00 3.64 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 51 S 8.25 3.96 0.00 3.89 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 52 C 8.18 3.45 0.00 3.10 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 53 L 7.57 3.89 0.00 1.51 1.49 0.22 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.46 4.04 1.26 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 0.00 0.00 55 R 7.40 3.88 0.00 1.59 1.31 0.00 3.16 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.64 0.00 56 F 8.03 4.90 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