NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3368 8.2493 123.5822 52.4438 19.4639 176.1164 5 V 3.6091 7.9564 122.7039 60.8969 32.6709 175.6699 6 T 4.4009 7.9780 129.2179 61.7309 70.1606 171.8694 7 T 4.8017 7.8746 127.1471 62.6973 69.3454 174.2151 8 Y 4.9387 9.4960 125.5961 56.7562 40.7544 174.8206 9 K 5.2742 9.2708 121.1708 54.8239 36.5551 174.4986 10 L 4.9492 8.0292 127.1610 53.3387 44.2650 175.2573 11 V 4.6965 8.3524 119.8995 59.8312 34.1658 174.9562 12 I 4.7252 8.9650 124.7845 59.2348 41.4924 173.5213 13 N 4.9554 8.9946 126.8303 51.3903 39.3156 173.8679 14 G 4.2481 8.4494 113.6051 44.8387 0.0000 171.7305 15 K 4.2833 8.8194 118.9686 58.6945 32.3582 178.2442 16 T 4.2601 7.9385 106.4108 62.2128 70.5987 173.8934 17 L 4.4720 7.6941 125.5046 52.8802 42.6446 174.6985 18 K 5.0820 9.4582 125.6445 53.2698 35.1102 177.0836 19 G 3.9514 7.4768 109.2451 46.3946 0.0000 170.5277 20 E 5.1187 8.0483 117.9254 55.5514 33.5059 174.4813 21 T 4.7970 8.5966 116.5843 61.3061 71.6419 171.7826 22 T 4.9574 8.1065 110.8688 61.5245 72.0155 172.6221 23 T 4.4995 8.9944 113.7143 61.2649 71.3484 171.7976 24 K 5.0164 8.7424 126.5535 54.9492 33.8454 175.3592 25 A 4.3523 10.6000 125.4524 51.2005 22.4849 175.3550 26 V 3.8868 8.6508 112.2877 63.0307 32.6173 177.0601 27 D 4.7870 8.2531 119.2753 53.6536 43.1612 177.8155 28 A 3.4342 8.4096 123.4761 54.6962 18.3098 179.7003 29 E 3.8802 7.9140 116.6037 58.8948 30.0048 178.7096 30 T 3.8672 7.4307 115.4667 66.3636 68.6866 176.1184 31 A 3.3618 7.3086 122.8870 55.1617 18.1922 179.2439 32 E 3.6108 6.9879 113.4589 57.9237 29.3937 179.0404 33 K 3.5352 7.6436 120.1866 59.1267 31.9853 178.5753 34 A 3.8684 7.4853 119.9244 54.0275 18.8906 179.4746 35 F 4.7531 7.4876 116.8203 60.8779 38.7300 178.0940 36 K 4.1231 8.5861 118.8684 59.1122 31.6943 179.3511 37 Q 3.9653 7.5872 119.8467 59.2272 28.7116 177.3124 38 Y 4.0679 8.3937 120.7718 60.8322 38.2531 178.0483 39 A 4.0575 8.9613 121.9155 54.8556 18.4152 179.1915 40 N 4.3055 7.8363 115.5401 57.1873 38.9541 176.8807 41 D 4.3792 7.9312 118.9016 56.7633 40.9829 177.6830 42 N 4.7006 7.5511 113.8019 52.1991 39.1526 175.3263 43 G 3.7738 7.8292 108.5297 46.2157 0.0000 173.3695 44 V 4.2862 8.8912 119.5504 60.8546 32.6182 174.7911 45 D 4.7613 9.2947 126.6763 53.2440 43.5799 174.3936 46 G 3.8953 8.1464 115.6456 45.7582 0.0000 171.6600 47 V 3.8804 8.2160 123.0980 62.4523 32.3007 177.0000 48 W 5.7286 9.2326 129.8883 55.4796 28.1227 176.5047 49 T 4.5814 7.8909 115.4749 61.8790 71.8008 172.6152 50 Y 4.7102 8.0814 117.3787 57.2674 41.7947 172.9482 51 D 4.4631 7.9199 127.4285 52.6639 42.6180 176.3672 52 D 4.1245 8.5066 125.5760 56.6604 41.9995 177.8779 53 A 3.9610 8.0410 121.0302 55.2142 18.3131 178.1546 54 T 4.1498 8.0955 102.8766 61.0916 69.7677 174.6191 55 K 3.9168 7.5256 121.6129 58.2510 30.3700 174.6233 56 T 5.8363 7.5588 113.7907 60.9983 72.3496 173.9995 57 F 5.2910 9.0873 124.3348 56.7510 41.4806 174.7644 58 T 5.0736 8.5997 118.7983 61.6172 72.0479 173.7676 59 V 3.6280 7.9301 124.2054 60.0529 33.6902 174.0763 60 T 5.5482 8.4102 120.6061 59.3225 70.4882 173.7696 61 E 4.3614 8.5540 125.3021 56.4759 29.6989 175.8887 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 4 A 8.25 4.34 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 5 V 7.96 3.61 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 0.72 0.00 0.00 0.99 0.00 0.00 6 T 7.98 4.40 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 1.42 0.00 0.00 7 T 7.87 4.80 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 1.24 0.00 0.00 8 Y 9.50 4.94 0.00 3.21 3.55 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 9 K 9.27 5.27 0.00 1.90 1.67 0.00 1.59 0.00 0.00 1.58 0.00 0.00 2.74 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.31 1.51 7.81 10 L 8.03 4.95 0.00 0.27 0.76 0.58 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.35 4.70 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 0.83 0.00 0.00 0.86 0.00 0.00 12 I 8.96 4.73 1.74 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 1.38 1.66 0.91 0.00 0.00 13 N 8.99 4.96 0.00 2.74 2.86 0.00 0.00 6.36 6.94 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 14 G 8.45 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 0.00 0.00 0.00 0.00 15 K 8.82 4.28 0.00 1.95 1.87 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.51 7.81 16 T 7.94 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 17 L 7.69 4.47 0.00 1.72 1.57 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 18 K 9.46 5.08 0.00 1.73 1.65 0.00 1.96 0.00 0.00 1.68 0.00 0.00 3.14 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.32 7.81 19 G 7.48 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 20 E 8.05 5.12 0.00 1.79 1.90 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 2.19 2.29 0.00 21 T 8.60 4.80 3.96 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 0.00 0.00 0.76 0.00 0.00 22 T 8.11 4.96 4.48 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 1.26 0.00 0.00 23 T 8.99 4.50 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 0.72 0.00 0.00 24 K 8.74 5.02 0.00 1.69 1.74 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.74 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.44 7.81 25 A 10.60 4.35 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.65 3.89 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 0.76 0.00 0.00 0.94 0.00 0.00 27 D 8.25 4.79 0.00 2.68 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.41 3.43 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 29 E 7.91 3.88 0.00 1.90 1.91 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 2.19 2.30 0.00 30 T 7.43 3.87 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 31 A 7.31 3.36 0.70 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 32 E 6.99 3.61 0.00 1.37 1.12 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 1.82 1.89 0.00 33 K 7.64 3.54 0.00 1.84 1.75 0.00 1.41 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.32 7.81 34 A 7.49 3.87 1.12 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 0.00 0.00 35 F 7.49 4.75 0.00 3.01 3.40 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 0.00 0.00 0.00 36 K 8.59 4.12 0.00 1.49 1.63 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.34 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.99 1.10 7.81 37 Q 7.59 3.97 0.00 2.06 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 38 Y 8.39 4.07 0.00 3.37 3.40 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 0.00 0.00 0.00 39 A 8.96 4.06 1.74 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 0.00 0.00 40 N 7.84 4.31 0.00 3.02 3.00 0.00 0.00 7.08 8.15 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 41 D 7.93 4.38 0.00 2.70 2.61 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 0.00 0.00 0.00 0.00 42 N 7.55 4.70 0.00 2.40 2.71 0.00 0.00 7.09 7.32 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 43 G 7.83 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.89 4.29 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 0.77 0.00 0.00 0.91 0.00 0.00 45 D 9.29 4.76 0.00 2.59 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.15 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 0.00 0.00 0.00 0.00 47 V 8.22 3.88 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 0.96 0.00 0.00 0.96 0.00 0.00 48 W 9.23 5.73 0.00 3.32 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 4.58 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 50 Y 8.08 4.71 0.00 3.00 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 51 D 7.92 4.46 0.00 2.52 2.21 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 52 D 8.51 4.12 0.00 2.91 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.04 3.96 1.25 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 0.00 0.00 0.00 54 T 8.10 4.15 4.17 0.00 0.00 0.00 0.00 0.00 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 55 K 7.53 3.92 0.00 1.93 1.93 0.00 1.52 0.00 0.00 1.59 0.00 0.00 3.33 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.19 1.57 7.81 56 T 7.56 5.84 4.10 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 1.19 0.00 0.00 57 F 9.09 5.29 0.00 3.33 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.60 5.07 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 1.14 0.00 0.00 59 V 7.93 3.63 0.67 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 0.40 0.00 0.00 -0.04 0.00 0.00 60 T 8.41 5.55 4.31 0.00 0.00 0.00 0.00 0.00 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 61 E 8.55 4.36 0.00 1.83 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 2.29 2.22 0.00