NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0173 8.0393 120.3898 62.9993 32.4745 174.2581 2 Q 4.2514 8.7803 124.4569 53.9060 31.5381 171.5128 3 R 3.9169 8.6259 117.6352 58.6824 30.8012 177.0347 4 G 3.9922 8.9044 114.6565 45.2902 0.0000 173.7369 5 S 4.3365 8.3362 115.9555 58.6873 64.4766 173.2602 6 K 4.8818 8.4289 120.5123 54.9451 34.3273 175.9370 7 V 4.8334 8.8478 117.8512 59.3512 36.2988 174.3480 8 K 4.8696 8.8184 125.9036 55.0934 33.9108 175.6635 9 I 4.1509 8.5845 128.9773 61.3952 37.9581 176.3698 10 L 4.7610 9.0912 125.2826 54.4002 43.5267 176.7064 11 R 4.2361 8.2506 120.7931 55.2582 30.0280 174.6768 12 P 3.4399 0.0000 0.0000 65.4727 31.3440 177.3003 13 E 4.2510 8.0069 112.4088 56.4113 30.1000 176.2487 14 S 4.4971 8.0607 115.7561 57.9258 63.2075 174.4265 15 Y 3.6943 8.5154 127.7059 59.7960 38.7407 176.7014 16 W 4.7100 8.1348 118.3881 56.1790 29.3385 174.9814 17 Y 4.3550 7.5323 119.8373 59.5364 38.3704 176.7268 18 N 3.9889 7.8759 122.2418 53.4380 37.5019 173.7857 19 E 4.6492 8.2724 118.7862 54.9294 32.6514 174.5895 20 V 4.8570 8.3793 120.1655 61.4859 33.9261 174.5437 21 G 3.8071 9.1020 114.1493 44.2980 0.0000 170.8884 22 T 5.0276 7.7900 109.2776 59.1747 71.3083 173.9947 23 V 3.9743 8.5768 126.9144 63.4349 31.9299 176.1428 24 A 4.4915 9.4955 130.1568 51.6030 20.0474 177.0532 25 S 4.7965 6.9700 111.5507 58.2991 64.1473 176.0851 26 V 4.7581 7.8384 119.8352 60.9915 33.6421 174.0787 27 D 4.5948 8.6167 127.4411 53.9053 41.5448 175.8477 28 Q 4.3885 8.5323 124.2061 55.7068 29.5165 175.8034 29 T 3.8302 8.0315 116.0299 63.3382 68.8222 171.7027 30 P 4.2424 0.0000 0.0000 64.1342 31.9173 175.8985 31 G 3.9773 8.8504 109.9388 45.4264 0.0000 173.8005 32 V 3.5999 7.0380 119.2167 62.9461 31.5165 175.9519 33 K 3.8921 8.7072 127.7267 58.8903 32.1143 176.8683 34 Y 4.6744 7.4022 115.7430 55.0927 38.6064 172.8137 35 P 4.4207 0.0000 0.0000 65.2783 33.5003 176.5034 36 V 3.8176 8.1714 121.5984 62.4512 32.3419 175.7609 37 I 4.7370 8.7206 131.2737 60.4880 37.8692 175.1561 38 V 4.5091 8.8320 128.0579 61.1135 33.8154 174.5396 39 R 4.9309 8.0153 126.2531 54.5088 33.0528 174.3257 40 F 4.9948 8.9630 122.3835 55.6260 42.3014 175.1792 41 D 4.5532 9.0807 120.3294 56.1418 41.0830 177.2210 42 K 4.8018 8.0347 116.3459 54.7994 34.9450 176.2844 43 V 4.3454 8.2877 114.4466 61.2994 32.7910 176.2010 44 N 3.1400 7.7554 120.0370 51.5062 38.5814 174.5271 45 Y 4.3901 7.3888 113.3322 60.2384 38.5445 175.8351 46 T 3.7957 7.5930 116.5828 63.0888 68.8624 172.9861 47 G 4.3517 8.3889 116.5651 44.0978 0.0000 171.6559 48 Y 4.2430 8.0265 123.0777 56.5756 39.6099 175.0485 49 S 3.9253 7.5534 118.8503 60.3776 62.4537 174.8304 50 G 3.9324 8.8682 115.1388 45.2136 0.0000 173.1220 51 S 4.2538 7.9764 114.6796 58.0503 63.1741 174.3433 52 A 4.7602 8.0823 131.6997 50.9149 19.4012 176.2735 53 S 4.5524 7.6131 116.9222 59.7948 68.1087 173.3242 54 G 3.7251 9.3898 115.6593 45.9970 0.0000 171.2963 55 V 3.2651 8.3964 125.6558 62.9800 29.7356 171.3107 56 N 5.4099 8.5509 123.2544 52.4441 38.8850 173.3755 57 T 5.1861 8.0362 112.3042 61.4115 70.6527 172.0958 58 N 5.0654 9.3147 125.2983 52.7385 43.2151 172.3244 59 N 5.6089 8.3514 119.0204 51.8298 41.1020 174.1665 60 F 5.2062 9.5519 119.7219 55.9885 44.3025 173.5726 61 A 4.8440 9.4142 121.6165 50.8295 20.4183 178.7115 62 L 3.9572 8.7473 119.9511 58.2601 41.8405 179.0992 63 H 4.5890 8.3163 110.7906 56.8699 28.9271 175.1585 64 E 4.6070 8.4603 120.0837 56.5983 30.6179 175.7218 65 V 4.8209 7.6491 112.0111 59.4124 35.5650 175.2526 66 Q 4.3486 8.4449 122.3991 54.1328 31.8140 173.9467 67 E 4.1082 8.9622 128.1941 56.9562 29.9024 174.9252 68 V 4.2846 8.5957 117.0120 61.4122 33.9322 175.8067 69 A 4.1196 7.8849 129.0742 52.8542 18.1022 177.3272 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 V 8.04 4.02 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 0.99 0.00 0.00 0.91 0.00 0.00 2 Q 8.78 4.25 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.72 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 3 R 8.63 3.92 0.00 1.77 1.91 0.00 3.31 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 4 G 8.90 3.99 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 0.00 0.00 0.00 5 S 8.34 4.34 0.00 3.68 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 6 K 8.43 4.88 0.00 1.60 1.64 0.00 1.55 0.00 0.00 1.73 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.33 7.81 7 V 8.85 4.83 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 0.58 0.00 0.00 0.77 0.00 0.00 8 K 8.82 4.87 0.00 1.74 1.59 0.00 1.56 0.00 0.00 1.56 0.00 0.00 2.68 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.24 1.32 7.81 9 I 8.58 4.15 2.13 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.91 1.14 0.00 0.00 10 L 9.09 4.76 0.00 1.60 1.78 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.25 4.24 0.00 2.13 2.21 0.00 3.36 0.00 0.00 3.36 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.82 0.00 12 P 0.00 3.44 0.00 1.93 1.77 0.00 3.75 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 13 E 8.01 4.25 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.22 0.00 14 S 8.06 4.50 0.00 4.21 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 15 Y 8.52 3.69 0.00 2.30 1.47 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 16 W 8.13 4.71 0.00 3.17 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 17 Y 7.53 4.36 0.00 3.17 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.88 3.99 0.00 2.76 2.82 0.00 0.00 6.94 7.80 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 19 E 8.27 4.65 0.00 2.23 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 0.00 2.28 2.45 0.00 20 V 8.38 4.86 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 0.80 0.00 0.00 0.90 0.00 0.00 21 G 9.10 3.81 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 0.00 0.00 0.00 22 T 7.79 5.03 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 1.08 0.00 0.00 23 V 8.58 3.97 2.18 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 1.00 0.00 0.00 0.89 0.00 0.00 24 A 9.50 4.49 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 25 S 6.97 4.80 0.00 4.07 4.02 0.00 0.00 0.00 0.00 0.00 0.00 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 7.84 4.76 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 0.84 0.00 0.00 0.93 0.00 0.00 27 D 8.62 4.59 0.00 2.71 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 28 Q 8.53 4.39 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.62 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 29 T 8.03 3.83 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 1.21 0.00 0.00 30 P 0.00 4.24 0.00 2.03 1.98 0.00 3.67 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 31 G 8.85 3.98 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 0.00 0.00 0.00 32 V 7.04 3.60 2.20 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 0.82 0.00 0.00 1.06 0.00 0.00 33 K 8.71 3.89 0.00 1.62 1.26 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.44 7.81 34 Y 7.40 4.67 0.00 2.94 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 35 P 0.00 4.42 0.00 2.22 2.49 0.00 3.68 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.24 0.00 36 V 8.17 3.82 2.33 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 0.85 0.00 0.00 1.03 0.00 0.00 37 I 8.72 4.74 1.99 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 1.38 0.97 0.92 0.00 0.00 38 V 8.83 4.51 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.00 0.00 0.83 0.00 0.00 39 R 8.02 4.93 0.00 1.78 1.52 0.00 3.03 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.64 0.00 40 F 8.96 4.99 0.00 2.30 2.54 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 41 D 9.08 4.55 0.00 2.77 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.03 4.80 0.00 2.00 1.93 0.00 1.75 0.00 0.00 1.87 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.68 1.93 7.81 43 V 8.29 4.35 2.31 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 0.81 0.00 0.00 0.91 0.00 0.00 44 N 7.76 3.14 0.00 1.44 1.42 0.00 0.00 6.96 6.84 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 45 Y 7.39 4.39 0.00 2.91 2.82 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 0.00 0.00 0.00 46 T 7.59 3.80 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 1.23 0.00 0.00 47 G 8.39 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 0.00 0.00 0.00 0.00 48 Y 8.03 4.24 0.00 2.99 2.87 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 0.00 0.00 0.00 49 S 7.55 3.93 0.00 3.49 3.13 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 0.00 0.00 0.00 0.00 50 G 8.87 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 0.00 0.00 0.00 51 S 7.98 4.25 0.00 3.99 3.84 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 52 A 8.08 4.76 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 53 S 7.61 4.55 0.00 4.13 3.80 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 54 G 9.39 3.73 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 0.00 0.00 0.00 55 V 8.40 3.27 2.32 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 1.16 0.00 0.00 0.97 0.00 0.00 56 N 8.55 5.41 0.00 3.16 3.10 0.00 0.00 5.53 7.22 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 57 T 8.04 5.19 4.26 0.00 0.00 0.00 0.00 0.00 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 58 N 9.31 5.07 0.00 3.10 2.75 0.00 0.00 6.89 6.66 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 59 N 8.35 5.61 0.00 2.61 3.00 0.00 0.00 6.69 7.45 0.00 0.00 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 F 9.55 5.21 0.00 2.95 3.15 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 0.00 0.00 0.00 0.00 61 A 9.41 4.84 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 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.75 3.96 0.00 1.76 1.77 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.32 4.59 0.00 3.32 3.45 0.00 5.51 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.46 4.61 0.00 2.28 2.22 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 2.30 2.09 0.00 65 V 7.65 4.82 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 0.44 0.00 0.00 1.02 0.00 0.00 66 Q 8.44 4.35 0.00 2.07 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.99 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 67 E 8.96 4.11 0.00 1.99 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 2.26 2.31 0.00 68 V 8.60 4.28 2.05 0.00 0.00 0.00 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 0.93 0.00 0.00 69 A 7.88 4.12 1.22 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