NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4804 8.3349 115.3049 57.7424 63.7756 173.2476 8 D 4.7145 8.4178 124.4111 52.8827 42.0534 174.2527 9 F 5.2955 8.7777 115.5282 55.5979 41.9907 173.5354 10 V 4.5582 8.8628 112.1652 59.5351 35.3555 174.8777 11 V 4.8235 8.6774 123.8589 61.3657 33.8607 174.4811 12 I 4.9819 9.0829 128.3024 59.4155 40.6923 174.0589 13 K 4.9855 9.1624 129.0340 54.2107 34.4961 175.0062 14 A 4.3942 8.8641 130.3680 52.2386 19.1102 177.4197 15 L 4.7435 8.9382 122.3994 54.5627 42.5867 175.9859 16 E 4.6822 7.7005 115.5787 54.7850 32.3635 174.4556 17 D 4.4074 8.3863 119.3724 55.6113 41.3323 176.6079 18 G 3.8495 8.4469 108.8196 46.2334 0.0000 174.0578 19 V 3.8795 7.5610 119.5177 62.8620 32.8726 174.4287 20 N 5.3173 9.1379 124.8669 51.4535 41.4674 173.5813 21 V 4.5500 8.7413 124.4899 61.4061 33.6018 174.2108 22 I 4.6564 8.7163 129.9921 59.3635 39.7980 174.9250 23 G 4.2205 8.7275 114.7446 44.8450 0.0000 172.4489 24 L 5.4819 8.8160 125.9329 53.1608 43.9914 176.2929 25 T 4.5089 8.7323 114.4347 61.7657 69.3391 174.2563 26 R 4.3826 7.8423 126.0378 56.7452 30.8885 175.1089 27 G 3.7577 8.6942 109.7630 44.2398 0.0000 173.0694 28 A 4.1087 8.6789 121.7693 54.1199 18.7409 177.8145 29 D 4.8840 7.8279 113.9741 52.0497 41.4484 175.9765 30 T 4.7325 8.2595 117.2307 62.0998 70.9914 173.1815 31 R 4.5849 8.6852 122.0581 54.7111 33.8315 173.8969 32 F 5.2969 8.4731 118.7425 57.6652 38.9920 175.5483 33 H 4.9279 8.9898 119.1261 56.5706 30.2733 174.5860 34 H 4.8212 7.7150 117.6871 54.9391 33.3494 171.9255 35 S 4.8077 8.2681 119.4847 56.4139 64.7282 172.2856 36 E 4.4751 9.0850 129.3358 54.6133 31.0629 174.3796 37 K 4.8412 8.6013 128.6628 55.4448 33.8625 175.3878 38 L 4.9543 8.8784 127.2561 53.1599 44.7782 176.0646 39 D 5.0703 9.1538 123.6759 52.3684 43.3588 175.9680 40 K 4.0328 8.6779 121.7586 58.4308 32.3162 177.0939 41 G 4.0083 9.0366 115.5055 45.1310 0.0000 173.4763 42 E 4.2839 8.0592 119.6200 56.1594 30.8818 175.9299 43 V 4.9258 8.2940 122.0636 61.0069 34.3152 174.2244 44 L 4.7750 8.9922 129.6181 53.2374 44.8956 174.8606 45 I 5.0646 8.4846 126.1064 59.5965 39.4350 174.6673 46 A 4.7278 9.0277 129.1789 50.1167 21.9655 175.2773 47 Q 4.8284 8.6302 120.7588 54.9431 30.4274 175.8190 48 F 4.6688 8.3700 120.5269 58.0396 39.8079 175.0646 49 T 4.6899 9.0986 111.3897 60.1575 71.9345 173.9179 50 E 4.0217 8.9340 121.3578 59.3088 29.6294 177.2001 51 H 4.6153 7.8502 114.2549 55.9856 30.0401 174.0492 52 T 5.2544 8.3964 116.2652 60.9567 71.0195 174.3832 53 S 4.9914 9.0069 120.2448 58.1363 64.8470 173.2966 54 A 5.1987 7.8907 121.3780 51.1759 22.7131 175.1741 55 I 4.9609 8.4461 119.7688 59.4552 40.9560 174.6325 56 K 4.5745 9.1725 128.5500 54.4866 34.7339 174.6732 57 V 4.7975 8.3579 126.4205 61.1373 33.7299 174.5684 58 R 4.5235 8.8683 126.8033 55.2399 33.0071 175.3308 59 G 4.0416 9.0285 109.2270 43.6959 0.0000 172.6812 60 K 4.5212 9.3304 120.8476 56.1861 33.0110 175.6093 61 A 5.1352 8.8553 128.1796 50.8694 23.4246 173.6915 62 Y 4.8359 9.0481 121.7767 56.1084 40.9092 174.5770 63 I 5.0894 8.2029 126.8492 59.5668 40.9797 174.3196 64 Q 5.0756 8.9836 125.4968 54.3620 31.8783 174.8586 65 T 4.8332 8.6085 112.6109 59.5309 72.4907 174.5690 66 R 3.7193 8.5330 120.6960 59.5840 29.8599 176.5551 67 H 4.5950 7.7994 112.6269 55.3566 29.4844 173.7007 68 G 3.7478 7.3910 105.7644 44.0234 0.0000 172.8575 69 V 4.4872 8.0320 119.2480 61.8585 33.2725 176.4049 70 I 4.6207 8.2874 125.0062 59.6579 41.9754 173.1276 71 E 5.2151 8.5475 125.7115 54.4992 32.6186 175.7085 72 S 4.6756 8.6733 118.8151 57.6267 65.2464 172.8835 73 E 4.9411 8.5318 120.3102 54.0633 32.4730 176.1206 74 G 3.8505 8.8416 110.0868 46.7108 0.0000 173.5260 75 K 4.2922 8.4669 119.9586 56.3595 32.3100 176.8993 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 7 S 8.33 4.48 0.00 3.93 3.93 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 8 D 8.42 4.71 0.00 2.90 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 9 F 8.78 5.30 0.00 3.05 2.96 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 0.00 10 V 8.86 4.56 2.03 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 0.58 0.00 0.00 0.88 0.00 0.00 11 V 8.68 4.82 2.17 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 1.09 0.00 0.00 1.17 0.00 0.00 12 I 9.08 4.98 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.69 0.92 0.00 0.00 13 K 9.16 4.99 0.00 1.85 1.75 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.36 7.81 14 A 8.86 4.39 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 15 L 8.94 4.74 0.00 1.67 1.72 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.70 4.68 0.00 2.02 1.88 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 2.18 2.33 0.00 17 D 8.39 4.41 0.00 2.69 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 18 G 8.45 3.85 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 0.00 0.00 0.00 19 V 7.56 3.88 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.02 0.00 0.00 20 N 9.14 5.32 0.00 2.57 2.58 0.00 0.00 6.31 8.43 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 21 V 8.74 4.55 2.03 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 0.94 0.00 0.00 0.90 0.00 0.00 22 I 8.72 4.66 1.35 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.24 -0.13 0.00 0.00 23 G 8.73 4.22 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 0.00 0.00 0.00 24 L 8.82 5.48 0.00 1.90 1.72 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.73 4.51 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 1.39 0.00 0.00 26 R 7.84 4.38 0.00 1.93 2.00 0.00 3.23 0.00 0.00 3.08 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.44 0.00 27 G 8.69 3.76 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 0.00 0.00 0.00 28 A 8.68 4.11 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 D 7.83 4.88 0.00 2.77 2.67 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 30 T 8.26 4.73 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 1.27 0.00 0.00 31 R 8.69 4.58 0.00 1.80 1.95 0.00 2.78 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 32 F 8.47 5.30 0.00 2.93 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.99 4.93 0.00 3.16 3.50 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.71 4.82 0.00 3.34 3.11 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.27 4.81 0.00 3.75 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.08 4.48 0.00 2.15 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 2.24 2.28 0.00 37 K 8.60 4.84 0.00 1.78 1.67 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.59 7.81 38 L 8.88 4.95 0.00 1.57 1.51 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.15 5.07 0.00 2.59 2.58 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 0.00 0.00 0.00 0.00 40 K 8.68 4.03 0.00 1.79 1.73 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.45 1.30 7.81 41 G 9.04 4.01 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 0.00 0.00 0.00 42 E 8.06 4.28 0.00 2.09 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 2.32 2.25 0.00 43 V 8.29 4.93 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 0.81 0.00 0.00 0.94 0.00 0.00 44 L 8.99 4.78 0.00 1.75 1.46 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.48 5.06 1.79 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 0.81 0.84 0.00 0.00 46 A 9.03 4.73 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 47 Q 8.63 4.83 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 48 F 8.37 4.67 0.00 3.04 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 49 T 9.10 4.69 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 1.29 0.00 0.00 50 E 8.93 4.02 0.00 1.93 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 2.01 2.28 0.00 51 H 7.85 4.62 0.00 3.30 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.40 5.25 4.35 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 1.32 0.00 0.00 53 S 9.01 4.99 0.00 3.86 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 0.00 54 A 7.89 5.20 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.45 4.96 1.84 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.63 0.82 0.00 0.00 56 K 9.17 4.57 0.00 1.71 1.40 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.24 1.32 7.81 57 V 8.36 4.80 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.90 0.00 0.00 58 R 8.87 4.52 0.00 1.72 1.76 0.00 3.12 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.46 0.00 59 G 9.03 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.33 4.52 0.00 1.85 1.72 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.86 5.14 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 62 Y 9.05 4.84 0.00 3.07 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 63 I 8.20 5.09 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.54 0.86 0.00 0.00 64 Q 8.98 5.08 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 65 T 8.61 4.83 4.12 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 1.16 0.00 0.00 66 R 8.53 3.72 0.00 1.60 1.78 0.00 3.20 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 67 H 7.80 4.60 0.00 3.18 3.27 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.39 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.03 4.49 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 0.22 0.00 0.00 0.85 0.00 0.00 70 I 8.29 4.62 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.96 0.84 0.00 0.00 71 E 8.55 5.22 0.00 1.82 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 2.18 2.11 0.00 72 S 8.67 4.68 0.00 3.97 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 0.00 73 E 8.53 4.94 0.00 1.83 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 74 G 8.84 3.85 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 0.00 0.00 0.00 75 K 8.47 4.29 0.00 1.76 1.73 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.42 7.81