NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4623 8.3049 120.2838 54.9330 33.2626 174.9825 2 T 3.9528 8.4848 121.1732 64.1238 69.1123 172.1458 3 Y 5.1129 9.6882 123.3339 56.2939 43.1640 173.8047 4 K 5.3270 9.1945 122.9221 54.6773 36.1216 174.3713 5 L 4.9283 9.1300 128.5524 53.1914 45.5392 175.2093 6 I 4.4649 8.1438 126.9617 59.4067 38.2201 175.6236 7 L 4.3349 8.9844 130.9685 53.4857 39.8614 176.6747 8 N 4.6595 8.1232 126.1437 51.8867 37.4278 173.9740 9 G 4.2605 8.2554 110.8923 44.2642 0.0000 171.7318 10 K 3.9643 10.1345 121.4899 59.3368 32.2937 177.4592 11 T 4.2637 7.7209 106.2181 62.9986 70.2695 174.9580 12 L 4.0149 7.7396 125.4612 54.3541 42.4535 175.1132 13 K 5.0587 8.5442 125.1592 54.6913 34.8870 175.7356 14 G 4.2980 9.3628 111.3843 45.1984 0.0000 171.4263 15 E 5.2350 8.7967 121.3148 54.8941 32.4873 175.0938 16 T 5.0249 8.9186 112.1183 60.5933 72.5326 172.7398 17 T 5.4034 8.2195 113.1070 60.8472 72.6080 172.1921 18 T 4.1864 8.6411 115.8236 62.0971 71.7626 170.7982 19 E 5.1152 8.2942 122.3139 54.5001 32.6497 174.8127 20 A 4.2217 8.9793 122.0571 51.6707 22.2397 176.9105 21 V 3.6837 9.0950 114.3664 63.5966 32.5589 177.3660 22 D 5.2961 7.7010 120.5006 52.3612 41.8661 175.8558 23 A 3.4797 8.5546 117.2554 54.3770 19.4579 179.3795 24 A 3.8049 7.8632 118.8683 55.6365 18.4041 179.8743 25 T 3.6694 9.6787 114.3694 66.5766 68.4673 176.5928 26 A 3.7915 7.1873 122.0700 55.2493 17.8591 179.0859 27 E 3.3081 8.1608 117.9304 59.2189 29.4904 179.1883 28 K 3.8229 7.8993 118.3608 59.4775 32.2249 179.3089 29 V 3.4857 8.2561 118.7311 66.1135 31.3717 178.1242 30 F 4.2671 8.8243 118.4243 60.4298 38.7303 177.4814 31 K 4.3865 9.3659 119.9569 60.2099 31.6208 177.8575 32 Q 4.0119 8.8665 120.0004 59.4202 28.7472 177.4484 33 Y 4.4801 8.6436 120.7936 60.0655 38.7120 178.4762 34 A 3.9447 8.8288 121.6338 55.4163 18.4112 179.4263 35 N 4.5679 8.8862 115.1384 56.6668 38.2956 177.1924 36 D 4.3016 9.0700 121.1495 57.5991 40.7515 178.1105 37 N 4.6433 8.3243 114.3184 52.7700 38.5453 175.3963 38 G 3.8048 8.7000 109.5499 46.4285 0.0000 173.6855 39 V 4.5575 8.2451 120.0376 60.8503 34.2471 173.8967 40 D 4.2826 8.4324 127.8668 56.5865 45.7817 174.0639 41 G 4.1971 9.7971 110.9568 43.9251 0.0000 173.1196 42 E 4.4923 7.2973 118.9502 54.9751 32.4780 175.7652 43 W 4.7232 8.7149 124.3896 55.2366 31.3565 173.8530 44 T 4.8046 8.8777 119.6535 60.6790 69.7127 172.1422 45 Y 4.9063 8.0889 125.4800 56.6419 41.3852 172.9221 46 D 4.3827 7.0788 122.4738 52.2594 44.4924 176.1671 47 A 4.0574 8.2785 125.9034 53.9761 19.5373 179.1288 48 A 4.0754 8.3465 118.5073 55.6406 18.2237 178.9312 49 T 4.0089 10.0087 104.9388 62.0544 69.3174 175.7157 50 K 4.1373 7.3318 119.1185 57.5312 30.1597 174.5637 51 T 5.0574 7.3189 113.9100 62.0817 71.3640 173.6622 52 F 4.9569 10.0909 124.4985 56.4849 41.6366 174.9930 53 T 4.9868 9.4402 111.9308 59.9167 71.6424 173.1772 54 V 4.4249 7.8786 124.0795 60.3853 34.4910 174.5058 55 T 5.0665 7.8000 115.2363 63.7693 73.9728 173.5222 56 E 4.8321 8.4125 122.5284 55.8873 29.9363 176.1992 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 8.30 4.46 0.00 1.70 2.58 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.57 0.00 2 T 8.48 3.95 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 3 Y 9.69 5.11 0.00 3.12 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 4 K 9.19 5.33 0.00 1.92 1.73 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.57 7.81 5 L 9.13 4.93 0.00 0.27 0.13 0.71 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.14 4.46 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.58 0.89 0.00 0.00 7 L 8.98 4.33 0.00 1.77 1.63 1.08 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.12 4.66 0.00 2.77 2.83 0.00 0.00 7.04 7.71 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 9 G 8.26 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 0.00 0.00 0.00 10 K 10.13 3.96 0.00 1.70 1.84 0.00 1.65 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.42 7.81 11 T 7.72 4.26 4.23 0.00 0.00 0.00 0.00 0.00 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 12 L 7.74 4.01 0.00 1.68 1.57 0.91 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.54 5.06 0.00 1.60 1.67 0.00 1.87 0.00 0.00 1.91 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.52 7.81 14 G 9.36 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 0.00 0.00 0.00 0.00 15 E 8.80 5.23 0.00 1.92 1.89 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 2.32 2.24 0.00 16 T 8.92 5.02 4.56 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 1.38 0.00 0.00 17 T 8.22 5.40 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 1.29 0.00 0.00 18 T 8.64 4.19 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 19 E 8.29 5.12 0.00 1.97 1.78 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 2.18 2.21 0.00 20 A 8.98 4.22 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 21 V 9.10 3.68 2.11 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 0.86 0.00 0.00 0.94 0.00 0.00 22 D 7.70 5.30 0.00 2.92 2.85 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 23 A 8.55 3.48 1.30 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 0.00 0.00 0.00 24 A 7.86 3.80 1.29 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 0.00 0.00 0.00 25 T 9.68 3.67 4.19 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 0.00 0.00 0.00 1.15 0.00 0.00 26 A 7.19 3.79 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.16 3.31 0.00 1.66 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.50 0.00 28 K 7.90 3.82 0.00 2.02 1.74 0.00 1.63 0.00 0.00 1.47 0.00 0.00 2.84 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.37 1.37 7.81 29 V 8.26 3.49 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 0.76 0.00 0.00 0.84 0.00 0.00 30 F 8.82 4.27 0.00 3.24 3.22 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 31 K 9.37 4.39 0.00 1.47 1.73 0.00 1.24 0.00 0.00 1.19 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.25 7.81 32 Q 8.87 4.01 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.51 0.00 0.00 0.00 0.00 0.00 2.38 2.72 0.00 33 Y 8.64 4.48 0.00 3.14 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 34 A 8.83 3.94 1.67 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 35 N 8.89 4.57 0.00 3.04 2.90 0.00 0.00 7.37 8.88 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 36 D 9.07 4.30 0.00 2.58 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 37 N 8.32 4.64 0.00 2.10 2.58 0.00 0.00 6.81 7.61 0.00 0.00 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 G 8.70 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.25 4.56 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 0.72 0.00 0.00 0.97 0.00 0.00 40 D 8.43 4.28 0.00 2.80 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.80 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 42 E 7.30 4.49 0.00 2.09 1.75 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 0.00 2.29 2.43 0.00 43 W 8.71 4.72 0.00 3.21 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.88 4.80 4.27 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 1.31 0.00 0.00 45 Y 8.09 4.91 0.00 2.46 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 7.08 4.38 0.00 2.55 2.11 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 47 A 8.28 4.06 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 48 A 8.35 4.08 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 49 T 10.01 4.01 4.21 0.00 0.00 0.00 0.00 0.00 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 50 K 7.33 4.14 0.00 1.97 2.00 0.00 1.57 0.00 0.00 1.92 0.00 0.00 3.38 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.63 1.57 7.81 51 T 7.32 5.06 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 1.33 0.00 0.00 52 F 10.09 4.96 0.00 2.84 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 53 T 9.44 4.99 4.19 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 0.00 0.00 0.00 1.18 0.00 0.00 54 V 7.88 4.42 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 -1.07 0.00 0.00 55 T 7.80 5.07 4.15 0.00 0.00 0.00 0.00 0.00 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 56 E 8.41 4.83 0.00 1.98 1.81 0.00 0.00 0.00 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 2.18 0.00