NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9135 8.3549 109.7369 45.2810 0.0000 173.2809 2 S 4.2917 8.4477 119.1573 55.4618 63.6456 171.2686 3 E 4.1528 8.7851 124.2402 58.9075 30.5325 176.8921 4 H 4.8097 7.6996 113.4914 53.5076 31.2771 172.5660 5 V 3.9614 8.6028 124.2112 61.6150 31.6177 174.8318 6 F 4.9265 8.7687 123.0897 55.1348 38.7900 174.9448 7 A 4.8427 8.7877 126.8210 50.2424 22.4544 175.1005 8 V 3.3464 8.5484 122.3375 62.9380 32.2507 174.2831 9 E 4.4595 8.6884 126.3485 56.5808 31.4380 175.2742 10 S 4.4080 7.1674 110.9256 57.3726 66.1131 173.8420 11 I 4.1971 8.2344 124.6806 61.4193 36.8346 175.9379 12 E 4.1680 8.9645 127.9286 58.7748 29.9157 177.0179 13 K 5.0172 7.6445 116.3021 55.0206 37.3730 174.4815 14 K 5.6448 8.6770 119.3949 56.5974 35.9356 175.2401 15 R 4.6467 8.5047 114.1180 55.4590 32.9097 173.5891 16 I 4.8680 8.0364 121.7903 59.7356 39.7639 175.1786 17 R 4.2941 9.0668 123.7192 56.6184 33.3643 174.6580 18 K 3.6631 9.5307 123.0410 57.5814 29.4447 175.8567 19 G 3.8954 8.4742 103.6790 46.3475 0.0000 174.3165 20 R 4.4963 7.8915 118.4621 53.8579 33.4376 174.4493 21 V 4.8007 8.1712 122.4392 59.7917 34.1374 174.3179 22 E 4.6892 8.5059 124.2151 54.5163 33.4219 173.6651 23 Y 5.5205 8.8591 122.8876 56.0654 42.0081 174.4062 24 L 3.7032 8.5077 126.8321 54.6607 42.7931 176.1215 25 V 3.9185 7.9236 121.5434 60.1386 32.3163 176.3183 26 K 4.2260 8.6281 128.7547 56.0225 33.2124 175.6560 27 W 5.2182 8.9548 128.5126 55.5288 30.3489 176.2393 28 R 4.3127 7.9322 122.9581 57.2209 29.0643 175.4754 29 G 4.0354 9.3837 109.8045 45.2143 0.0000 173.7622 30 W 4.6962 7.4227 117.7889 55.1270 30.8751 176.2470 31 S 4.6936 8.9269 116.1125 57.4653 63.3159 173.8680 32 P 4.3243 0.0000 0.0000 65.4323 31.2602 178.8550 33 K 3.7137 8.1778 118.3633 58.9786 32.0079 176.6124 34 Y 4.5961 7.7912 113.6725 57.5769 38.1127 175.5113 35 N 4.8883 7.7293 118.0868 53.3628 39.5712 174.1358 36 T 4.7887 8.2916 114.2341 59.9810 71.3012 172.6162 37 W 4.9997 8.7899 125.0479 56.3734 30.4436 175.8965 38 E 4.9216 9.4157 123.2926 54.0259 33.7206 174.0284 39 P 4.7907 0.0000 0.0000 61.8800 32.7134 176.6578 40 E 4.1757 8.2652 117.5279 59.0707 29.5008 178.4797 41 E 4.1383 8.1000 115.4270 58.4072 30.0674 177.0014 42 N 4.6779 8.0068 115.2764 53.7958 38.9402 176.0473 43 I 4.1864 7.1365 120.5605 60.0714 35.7903 174.8306 44 L 4.3119 7.9273 123.6212 56.0143 41.6228 177.4333 45 D 4.4438 7.8199 118.9635 53.2978 41.7942 175.0960 46 P 4.4948 0.0000 0.0000 65.7714 31.4809 178.9362 47 R 3.8781 7.9994 117.7003 58.7144 29.9724 178.4771 48 L 3.8481 7.8300 118.6286 58.0730 41.7144 179.7181 49 L 4.0111 7.2284 118.3243 57.5786 41.4572 179.7246 50 I 4.0956 8.3203 121.3084 63.7116 37.0295 178.1285 51 A 3.9491 7.9490 121.6182 55.2012 18.2154 179.2237 52 F 4.0676 8.1707 119.0022 61.7102 38.3308 177.2991 53 Q 3.7840 8.1631 117.3487 59.1652 28.3093 178.7590 54 N 4.6137 7.7132 115.7995 55.9975 38.7416 177.3534 55 R 4.0117 8.0714 120.2953 59.4927 30.0579 178.4174 56 E 3.9853 7.7370 116.9292 58.8706 29.4633 178.8762 57 R 4.0782 7.1475 118.6856 58.4749 31.2702 177.4314 58 Q 4.2545 7.4065 118.2205 55.4285 26.2326 174.6185 59 E 4.3602 7.8563 120.6595 54.3634 29.0493 175.4941 60 Q 4.1723 8.1882 123.7878 55.6251 29.1414 175.2727 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 G 8.35 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 0.00 0.00 0.00 2 S 8.45 4.29 0.00 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 E 8.79 4.15 0.00 2.11 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 2.27 2.37 0.00 4 H 7.70 4.81 0.00 3.31 3.31 0.00 5.52 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.60 3.96 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 0.94 0.00 0.00 0.94 0.00 0.00 6 F 8.77 4.93 0.00 2.80 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.79 4.84 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 8 V 8.55 3.35 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 0.34 0.00 0.00 0.53 0.00 0.00 9 E 8.69 4.46 0.00 2.05 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 0.00 2.18 2.21 0.00 10 S 7.17 4.41 0.00 3.83 3.56 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 0.00 11 I 8.23 4.20 1.81 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.49 1.00 0.00 0.00 12 E 8.96 4.17 0.00 1.65 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 2.21 2.30 0.00 13 K 7.64 5.02 0.00 1.63 1.96 0.00 1.84 0.00 0.00 2.05 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.38 7.81 14 K 8.68 5.64 0.00 2.27 2.26 0.00 1.67 0.00 0.00 1.95 0.00 0.00 3.14 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.96 1.73 7.81 15 R 8.50 4.65 0.00 1.75 1.95 0.00 2.21 0.00 0.00 3.05 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.46 0.00 16 I 8.04 4.87 1.89 0.00 0.00 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 1.22 0.70 0.91 0.00 0.00 17 R 9.07 4.29 0.00 1.73 1.62 0.00 3.17 0.00 0.00 3.10 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.50 0.00 18 K 9.53 3.66 0.00 1.91 1.85 0.00 1.85 0.00 0.00 1.68 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.38 7.81 19 G 8.47 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 20 R 7.89 4.50 0.00 1.95 1.72 0.00 3.22 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 21 V 8.17 4.80 1.98 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 0.69 0.00 0.00 0.55 0.00 0.00 22 E 8.51 4.69 0.00 1.96 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.59 0.00 23 Y 8.86 5.52 0.00 3.04 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 24 L 8.51 3.70 0.00 0.27 1.04 -0.15 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.92 3.92 1.34 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 0.60 0.00 0.00 0.89 0.00 0.00 26 K 8.63 4.23 0.00 1.88 1.79 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.54 1.47 7.81 27 W 8.95 5.22 0.00 3.53 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 28 R 7.93 4.31 0.00 1.86 2.12 0.00 3.07 0.00 0.00 3.14 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.57 0.00 29 G 9.38 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 30 W 7.42 4.70 0.00 3.59 3.30 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 31 S 8.93 4.69 0.00 4.28 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 32 P 0.00 4.32 0.00 2.18 2.27 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 33 K 8.18 3.71 0.00 1.55 1.49 0.00 1.56 0.00 0.00 1.19 0.00 0.00 2.92 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.66 1.19 7.81 34 Y 7.79 4.60 0.00 3.28 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 7.73 4.89 0.00 2.57 2.74 0.00 0.00 6.49 7.39 0.00 0.00 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 T 8.29 4.79 4.34 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 1.55 0.00 0.00 37 W 8.79 5.00 0.00 3.23 3.25 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 38 E 9.42 4.92 0.00 1.92 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 2.36 2.39 0.00 39 P 0.00 4.79 0.00 2.46 2.35 0.00 3.77 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.97 0.00 40 E 8.27 4.18 0.00 2.06 1.99 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 2.34 2.36 0.00 41 E 8.10 4.14 0.00 2.13 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 0.00 2.29 2.29 0.00 42 N 8.01 4.68 0.00 2.95 2.97 0.00 0.00 7.36 6.97 0.00 0.00 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 I 7.14 4.19 2.02 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 1.63 0.97 0.75 0.00 0.00 44 L 7.93 4.31 0.00 1.63 1.71 0.93 1.15 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 45 D 7.82 4.44 0.00 2.71 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.49 0.00 2.28 2.27 0.00 3.72 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 47 R 8.00 3.88 0.00 1.97 1.98 0.00 3.28 0.00 0.00 3.31 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 48 L 7.83 3.85 0.00 1.78 1.53 0.85 0.62 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 49 L 7.23 4.01 0.00 1.92 1.72 0.88 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.32 4.10 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 2.35 0.90 0.00 0.00 51 A 7.95 3.95 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.17 4.07 0.00 2.95 3.07 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 0.00 0.00 0.00 0.00 53 Q 8.16 3.78 0.00 2.32 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.62 0.00 0.00 0.00 0.00 0.00 2.41 2.73 0.00 54 N 7.71 4.61 0.00 2.78 2.85 0.00 0.00 7.03 8.69 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 55 R 8.07 4.01 0.00 1.99 2.02 0.00 3.12 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 56 E 7.74 3.99 0.00 1.70 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.77 0.00 57 R 7.15 4.08 0.00 1.92 2.08 0.00 3.23 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 58 Q 7.41 4.25 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.82 0.00 0.00 0.00 0.00 0.00 2.54 2.42 0.00 59 E 7.86 4.36 0.00 1.89 1.85 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 2.20 2.26 0.00 60 Q 8.19 4.17 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.43 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00