NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.5654 8.3649 120.1911 53.8792 42.7511 175.4277 6 C 4.6882 8.0158 114.8007 54.3680 41.4643 173.0156 7 C 4.3295 10.0614 123.9271 57.8236 40.9783 173.6517 8 L 4.1616 8.2410 123.3750 54.7648 42.3719 176.2184 9 G 3.6871 6.8345 104.7581 45.5034 0.0000 171.9181 10 Y 5.0291 8.0452 115.8072 55.8596 41.1582 175.6447 11 T 4.0986 8.9852 118.2065 62.6460 67.9151 173.5562 12 D 5.0028 8.6045 125.3565 53.1082 40.0079 175.8924 13 R 4.4992 7.7665 118.1746 55.1634 31.5103 176.5364 14 I 3.6509 8.1163 120.8203 61.6121 37.5187 176.2238 15 L 4.3951 8.3640 124.8803 53.6875 41.5316 176.4984 16 H 4.7121 8.5522 122.9058 53.7519 28.3767 174.3590 17 P 4.0942 0.0000 0.0000 65.3455 31.3115 179.2472 18 K 3.8944 7.8813 115.3861 59.1328 32.6168 177.3173 19 F 4.9331 8.1235 117.0885 57.5448 39.6592 175.0350 20 I 4.7646 7.5404 122.7086 60.1510 37.6767 175.9345 21 V 4.2633 8.1919 118.1981 60.9337 33.1370 175.4064 22 G 4.2449 7.4426 105.3231 46.6968 0.0000 171.9194 23 F 5.5609 8.4141 113.5238 56.0247 40.8936 173.5625 24 T 4.5428 9.0596 109.6094 59.9652 72.0008 172.8728 25 R 4.9756 8.5174 121.9029 54.9785 32.2859 175.3600 26 Q 4.6258 9.2391 124.6645 54.3468 31.6853 173.9222 27 L 5.2820 8.3902 125.8100 52.7850 44.1567 177.3162 28 A 4.4500 10.0098 125.4021 53.1639 18.3577 177.6248 29 N 4.9939 8.0556 112.0067 52.4560 37.6539 174.6255 30 E 4.6220 9.0896 116.3807 55.4068 30.2780 175.4168 31 G 3.4799 8.0584 114.5853 45.7149 0.0000 175.5466 32 C 4.7429 7.8248 117.7712 55.6774 41.8090 173.8729 33 D 4.4534 8.4473 120.0829 55.0084 41.1240 176.4459 34 I 4.8362 7.2271 111.2406 58.8735 40.9198 174.8127 35 N 5.0390 8.8727 119.9580 53.6127 39.6075 174.3589 36 A 4.8660 9.2381 122.0201 51.1603 23.5977 175.1499 37 I 4.4513 8.5895 121.4217 59.7442 39.4437 175.0872 38 I 4.7007 8.7815 129.3315 59.6723 38.2960 175.3609 39 F 5.2062 8.6596 126.8714 57.6311 40.3258 174.6259 40 H 5.6382 9.1031 116.3458 54.4851 32.7175 172.4899 41 T 5.4269 8.2279 109.4741 59.1990 71.1499 175.6466 42 K 4.0425 8.8069 120.3598 59.6605 31.9870 178.6274 43 K 4.1267 7.9767 115.1992 56.5804 32.2671 177.0017 44 K 3.9858 8.2819 117.7241 57.2291 30.2040 175.4664 45 L 4.2969 7.8569 119.7027 54.8695 42.4544 176.3978 46 S 5.5431 8.7680 120.0114 56.8531 65.7073 174.0349 47 V 4.5952 8.6114 122.1261 60.1386 34.9226 173.8709 48 C 4.9511 9.0761 122.2764 56.9426 41.4866 172.4234 49 A 5.1606 9.1836 125.1343 49.7704 22.9690 174.8576 50 N 3.1400 8.2944 118.5096 51.9604 38.8189 174.3690 51 P 4.2160 0.0000 0.0000 65.0339 31.5403 177.5989 52 K 4.2281 7.9758 115.7596 57.1201 32.6542 177.6029 53 Q 4.2765 7.8945 120.0014 55.3427 30.5081 176.5735 54 T 3.9113 8.6735 121.4263 66.9490 68.6028 176.5208 55 W 4.3550 8.3190 129.4084 60.3409 30.7787 178.0917 56 V 3.7311 7.9155 117.9592 66.0022 31.0729 178.0431 57 K 3.9212 8.0774 118.3126 59.4487 31.7577 178.6995 58 Y 3.9887 8.0607 119.8620 60.8221 38.7407 178.3329 59 I 3.0168 7.3505 120.6447 63.8215 36.7939 178.6533 60 V 3.3055 7.3682 118.5164 65.9069 31.0730 177.7258 61 R 3.9639 8.0721 118.1994 59.5550 29.6782 179.0495 62 L 3.8496 7.3453 117.5644 57.4923 41.5796 179.2362 63 L 4.1702 7.5877 118.1365 57.0748 41.6023 177.9609 64 S 4.6332 7.3775 111.9758 58.2113 63.0581 174.3627 65 K 4.1724 7.7793 125.7493 56.5015 32.2231 175.9286 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 5 D 8.36 4.57 0.00 2.65 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 6 C 8.02 4.69 0.00 3.07 2.99 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 0.00 0.00 0.00 0.00 7 C 10.06 4.33 0.00 3.04 3.24 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 0.00 8 L 8.24 4.16 0.00 1.58 1.65 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 9 G 6.83 3.69 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 0.00 0.00 0.00 10 Y 8.05 5.03 0.00 3.01 2.80 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 11 T 8.99 4.10 4.43 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 1.40 0.00 0.00 12 D 8.60 5.00 0.00 2.81 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 13 R 7.77 4.50 0.00 1.90 1.94 0.00 3.21 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 14 I 8.12 3.65 1.80 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 1.29 0.41 0.50 0.00 0.00 15 L 8.36 4.40 0.00 1.91 1.60 1.15 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 16 H 8.55 4.71 0.00 3.44 3.10 0.00 5.84 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.09 0.00 2.14 1.95 0.00 3.74 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.03 0.00 18 K 7.88 3.89 0.00 1.67 1.70 0.00 1.12 0.00 0.00 0.61 0.00 0.00 2.39 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.30 1.03 7.81 19 F 8.12 4.93 0.00 3.24 3.01 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 0.00 0.00 0.00 20 I 7.54 4.76 1.73 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.67 0.89 0.00 0.00 21 V 8.19 4.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.01 0.00 0.00 22 G 7.44 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 0.00 0.00 0.00 0.00 23 F 8.41 5.56 0.00 2.79 2.98 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 0.00 0.00 0.00 24 T 9.06 4.54 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 1.15 0.00 0.00 25 R 8.52 4.98 0.00 1.75 1.93 0.00 3.35 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.91 0.00 26 Q 9.24 4.63 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 27 L 8.39 5.28 0.00 1.60 1.55 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 28 A 10.01 4.45 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 0.00 0.00 0.00 0.00 0.00 29 N 8.06 4.99 0.00 2.81 2.88 0.00 0.00 5.91 7.66 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 30 E 9.09 4.62 0.00 1.96 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 2.23 2.21 0.00 31 G 8.06 3.48 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 0.00 0.00 0.00 0.00 32 C 7.82 4.74 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.45 4.45 0.00 2.65 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 34 I 7.23 4.84 1.91 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.68 0.87 0.00 0.00 35 N 8.87 5.04 0.00 2.71 2.82 0.00 0.00 6.69 7.35 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 36 A 9.24 4.87 1.36 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 0.00 0.00 0.00 37 I 8.59 4.45 1.50 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.74 -0.13 0.00 0.00 38 I 8.78 4.70 1.98 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 1.26 0.82 0.97 0.00 0.00 39 F 8.66 5.21 0.00 3.18 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 40 H 9.10 5.64 0.00 3.21 3.41 0.00 5.24 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.23 5.43 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 42 K 8.81 4.04 0.00 1.79 1.96 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.51 1.49 7.81 43 K 7.98 4.13 0.00 1.71 1.84 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.50 7.81 44 K 8.28 3.99 0.00 1.87 1.92 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.40 7.81 45 L 7.86 4.30 0.00 1.69 1.63 0.93 0.70 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 46 S 8.77 5.54 0.00 3.78 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 47 V 8.61 4.60 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 0.94 0.00 0.00 1.05 0.00 0.00 48 C 9.08 4.95 0.00 3.03 3.29 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 49 A 9.18 5.16 1.36 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 0.00 0.00 0.00 50 N 8.29 3.14 0.00 2.04 2.58 0.00 0.00 7.02 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 51 P 0.00 4.22 0.00 2.01 2.03 0.00 3.43 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 52 K 7.98 4.23 0.00 1.88 1.84 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.38 7.81 53 Q 7.89 4.28 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 54 T 8.67 3.91 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 55 W 8.32 4.35 0.00 3.36 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 56 V 7.92 3.73 2.34 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 1.02 0.00 0.00 1.14 0.00 0.00 57 K 8.08 3.92 0.00 2.01 1.82 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.60 7.81 58 Y 8.06 3.99 0.00 2.93 2.81 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 0.00 0.00 0.00 59 I 7.35 3.02 1.37 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.03 0.40 0.00 0.00 60 V 7.37 3.31 1.93 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 0.41 0.00 0.00 0.22 0.00 0.00 61 R 8.07 3.96 0.00 1.86 1.83 0.00 3.19 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 62 L 7.35 3.85 0.00 1.39 1.45 0.31 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.59 4.17 0.00 1.90 1.85 1.18 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 64 S 7.38 4.63 0.00 3.88 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 65 K 7.78 4.17 0.00 1.82 1.64 0.00 1.79 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.42 7.81