NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 V 4.0921 7.8976 120.3926 63.0270 33.9346 177.3572 10 Q 3.7910 7.7471 118.1280 58.6389 28.8576 176.4384 11 D 4.4278 8.3219 120.3963 56.6846 41.2781 179.5366 12 L 3.9172 7.8490 120.8032 58.5405 42.4125 178.7122 13 T 3.8810 7.3754 112.6060 65.0729 67.1687 176.0582 14 S 4.2324 8.0712 117.1401 61.1257 62.6962 176.5905 15 V 3.8894 7.6402 120.5984 65.2052 31.1420 177.9730 16 V 3.7733 7.5977 117.5366 65.5075 31.7341 177.5259 17 Q 4.0019 7.8660 118.9957 59.4612 28.7809 178.4889 18 T 3.8882 8.5431 117.1074 66.5506 68.3235 176.6207 19 L 3.9745 7.5955 120.0981 58.2750 41.8151 179.8591 20 L 4.0978 8.0390 118.4775 57.5883 41.9121 179.0688 21 Q 4.2132 8.0641 116.9833 57.8229 28.6136 178.2490 22 Q 4.2011 8.0362 119.7270 58.5914 29.1206 177.6331 23 M 4.0784 7.7364 118.7462 58.5691 32.1273 177.8362 24 Q 4.2587 8.1497 119.1732 58.6280 29.2694 177.5921 25 D 4.3539 7.7134 119.2579 57.0322 40.8711 178.4766 26 K 3.9791 8.1829 120.3124 59.2811 32.1665 178.5209 27 F 4.3447 7.9549 121.0321 61.5961 39.2657 176.9892 28 Q 3.4453 8.2055 117.7528 59.1137 28.5693 178.8270 29 T 3.9788 8.1667 117.0057 67.0653 68.5626 176.6004 30 I 3.7619 7.6796 121.1258 64.4684 37.0797 178.5271 31 S 4.0558 8.1077 116.0602 61.7785 62.6520 176.2692 32 D 4.4307 8.8231 122.4455 57.6589 40.0660 179.1960 33 Q 3.9416 7.8221 119.4568 59.0626 29.0649 178.3307 34 I 3.7224 7.7614 120.7926 64.6128 37.1671 178.4493 35 I 3.8101 8.2193 121.1734 64.3310 36.9705 178.7780 36 G 3.5732 7.9360 106.2372 47.8086 0.0000 176.0594 37 R 3.9613 7.6114 119.8462 59.0772 30.1167 179.2474 38 I 3.7156 7.9126 119.6319 64.4848 36.9964 178.2408 39 D 4.4631 8.4146 120.0932 57.3627 40.6039 178.3331 40 D 4.3739 7.9943 118.2619 57.2886 41.1352 178.2698 41 M 4.0623 8.1922 119.5259 58.4700 31.9003 178.8147 42 S 4.1101 8.5992 115.7050 61.4672 63.0866 176.5706 43 S 4.0771 7.7816 115.4981 61.6212 62.0565 176.5785 44 R 3.9375 7.9194 120.4968 59.3392 29.7255 179.1018 45 I 3.6868 8.0988 119.9417 64.3501 37.0048 178.0226 46 D 4.3720 8.4277 120.0759 57.7698 40.6542 178.8178 47 D 4.3545 7.9807 118.6843 57.2147 40.7496 178.9211 48 L 3.9799 8.1968 119.7445 57.9763 41.6593 179.4745 49 E 4.0178 8.4681 118.7156 59.2055 29.1015 179.6492 50 K 3.9892 7.9732 118.0894 59.2639 32.1853 178.6796 51 N 4.4417 8.2530 116.7847 56.7554 39.0693 176.6103 52 I 3.8097 7.5201 112.8962 63.8937 37.6133 176.1492 53 A 4.2718 7.6838 125.4781 52.1692 18.3625 176.8809 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 9 V 7.90 4.09 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 0.99 0.00 0.00 0.93 0.00 0.00 10 Q 7.75 3.79 0.00 2.40 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 11 D 8.32 4.43 0.00 2.78 2.77 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 12 L 7.85 3.92 0.00 1.79 1.71 0.92 0.73 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 T 7.38 3.88 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 14 S 8.07 4.23 0.00 3.93 3.88 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 15 V 7.64 3.89 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 0.99 0.00 0.00 1.04 0.00 0.00 16 V 7.60 3.77 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 0.95 0.00 0.00 1.00 0.00 0.00 17 Q 7.87 4.00 0.00 2.52 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.61 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 18 T 8.54 3.89 4.24 0.00 0.00 0.00 0.00 0.00 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 19 L 7.60 3.97 0.00 1.70 1.75 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.04 4.10 0.00 1.77 1.71 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 8.06 4.21 0.00 2.40 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 22 Q 8.04 4.20 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.63 0.00 23 M 7.74 4.08 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 24 Q 8.15 4.26 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.59 0.00 0.00 0.00 0.00 0.00 2.55 2.70 0.00 25 D 7.71 4.35 0.00 3.01 2.71 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 0.00 0.00 0.00 0.00 26 K 8.18 3.98 0.00 1.88 2.03 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.48 7.81 27 F 7.95 4.34 0.00 2.98 3.20 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 28 Q 8.21 3.45 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.50 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 29 T 8.17 3.98 4.44 0.00 0.00 0.00 0.00 0.00 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 30 I 7.68 3.76 1.93 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 1.54 0.90 0.95 0.00 0.00 31 S 8.11 4.06 0.00 3.67 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 32 D 8.82 4.43 0.00 2.61 2.69 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 0.00 0.00 0.00 0.00 33 Q 7.82 3.94 0.00 2.39 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 34 I 7.76 3.72 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.74 0.92 0.00 0.00 35 I 8.22 3.81 1.84 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 1.44 0.85 0.94 0.00 0.00 36 G 7.94 3.57 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 0.00 37 R 7.61 3.96 0.00 2.06 1.99 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.88 0.00 38 I 7.91 3.72 1.99 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 1.52 0.75 0.91 0.00 0.00 39 D 8.41 4.46 0.00 2.84 2.71 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 0.00 0.00 0.00 0.00 40 D 7.99 4.37 0.00 2.78 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 41 M 8.19 4.06 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.58 0.00 42 S 8.60 4.11 0.00 3.94 3.91 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 43 S 7.78 4.08 0.00 3.97 4.08 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 44 R 7.92 3.94 0.00 2.04 1.96 0.00 3.18 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.92 0.00 45 I 8.10 3.69 1.99 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 1.52 0.95 0.91 0.00 0.00 46 D 8.43 4.37 0.00 2.88 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 7.98 4.35 0.00 2.91 2.71 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 0.00 0.00 0.00 0.00 48 L 8.20 3.98 0.00 1.86 1.71 0.92 1.18 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 49 E 8.47 4.02 0.00 2.12 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 2.64 0.00 50 K 7.97 3.99 0.00 1.90 1.87 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.72 7.81 51 N 8.25 4.44 0.00 2.90 2.84 0.00 0.00 7.29 7.99 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 52 I 7.52 3.81 1.87 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 1.73 0.71 0.97 0.00 0.00 53 A 7.68 4.27 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