NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.4619 8.3644 120.5311 52.4428 43.1345 173.5283 2 Q 3.5396 7.9644 123.0656 53.5207 29.7483 170.8554 3 N 4.6731 8.6465 119.5922 52.8861 38.7277 173.5278 4 C 3.9290 7.9412 121.7867 56.7612 44.0630 171.2430 5 D 4.7323 8.1641 122.8806 52.5442 41.0934 176.8361 6 I 3.7299 8.6023 128.0919 63.6900 38.1308 176.0713 7 G 4.1280 7.8936 108.5379 45.4559 0.0000 175.0776 8 N 4.4083 7.7431 118.4545 55.7579 39.5196 175.5427 9 I 4.1605 7.5532 117.2235 62.8032 38.8681 177.7086 10 T 3.8834 7.9256 111.0787 64.8343 68.0305 176.0182 11 S 4.0973 8.1873 115.5801 61.3637 60.5953 175.9604 12 Q 3.9784 7.9104 122.2300 59.2384 28.8200 177.3249 13 C 4.6069 7.9709 116.7818 59.2347 38.5256 175.8024 14 Q 3.9947 8.5064 120.2509 59.4957 28.1621 178.9869 15 M 4.1075 7.4485 116.9901 58.2312 31.9896 178.8080 16 Q 4.1270 7.1702 116.7359 58.0480 30.3912 176.8824 17 H 4.8798 7.9381 112.2126 53.2812 28.4847 174.8015 18 K 4.2469 7.5032 120.1070 55.7556 33.2779 174.2428 19 N 4.1807 8.6470 124.1718 54.1077 38.7174 170.0742 20 C 3.9244 8.8366 126.5825 55.0025 42.9485 174.2006 21 E 4.4768 8.4429 127.7082 54.0321 27.9620 175.9492 22 D 4.6720 7.3274 118.5609 52.4755 45.5077 176.1936 23 A 4.5010 8.5308 126.3233 51.5965 19.5332 176.0060 24 N 4.3744 9.5232 113.9420 53.4278 36.6670 175.3911 25 G 4.3380 8.0067 105.0313 47.9271 0.0000 176.1429 26 C 4.7860 7.5263 117.0314 55.7505 40.6806 173.6811 27 D 4.5151 8.0742 120.1962 55.1269 40.9075 174.2784 28 T 4.7801 8.0921 123.4898 64.0257 76.4400 176.1507 29 I 3.8040 7.7127 121.7432 64.2172 37.4003 178.1655 30 I 3.7930 7.7867 118.9856 63.7452 37.6102 177.1361 31 E 3.9581 7.5788 119.9157 59.4876 29.3844 178.6127 32 E 3.9330 7.7968 117.7414 59.4514 29.5149 178.0063 33 C 4.4237 8.1239 115.1709 60.2487 39.5392 175.0217 34 K 4.0978 8.6108 122.2035 58.9147 31.7627 178.6672 35 T 3.8667 8.6143 116.4345 67.3235 68.3615 175.8327 36 S 4.0779 7.5022 114.2878 61.5401 62.9517 175.7183 37 M 4.4064 7.7381 121.5515 55.8162 33.2273 177.5382 38 V 4.0354 7.9110 118.1284 62.9985 32.0208 176.6677 39 E 3.8944 7.6896 118.7634 60.3700 29.1424 178.6323 40 R 3.9874 7.9899 117.3050 58.8197 30.3987 177.9699 41 C 4.7546 8.1419 115.1478 56.8384 41.1007 174.9111 42 Q 4.2280 7.7029 126.1647 58.7457 28.1675 178.2992 43 N 4.2564 8.1949 116.4608 56.9361 38.9442 175.9967 44 Q 4.1874 7.8447 118.9656 58.9065 29.6387 177.2388 45 E 4.0883 8.8126 118.8900 56.6869 30.7315 175.4408 46 F 3.8069 8.1568 121.1664 58.9305 37.4811 174.4436 47 E 3.9540 7.7231 119.7760 56.4917 28.5534 175.5190 48 S 4.1900 9.5973 125.2272 58.4433 61.5580 171.8808 49 A 2.7129 7.1885 118.7661 52.3604 26.2914 176.1010 50 A 4.2997 7.1610 111.6958 52.0768 20.4212 176.0499 51 G 3.8280 6.9922 110.2979 46.6637 0.0000 174.5355 52 S 4.1701 8.0882 116.6577 60.6855 62.7064 176.0094 53 T 4.2516 7.5236 117.8768 63.8990 66.0319 174.0691 54 T 4.3490 7.4139 123.4580 62.2179 67.2549 173.5597 55 L 4.1194 7.5849 125.0460 54.0760 42.6435 176.8401 56 G 3.7270 8.5104 116.6456 48.4220 0.0000 172.8181 57 P 4.5854 0.0000 0.0000 60.7873 29.7105 176.3490 58 Q 4.6974 8.1154 123.3385 56.7750 28.4422 177.1915 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 D 8.36 4.46 0.00 2.67 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 2 Q 7.96 3.54 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 8.02 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 3 N 8.65 4.67 0.00 2.87 2.88 0.00 0.00 6.03 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 C 7.94 3.93 0.00 3.12 3.10 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 5 D 8.16 4.73 0.00 2.86 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 6 I 8.60 3.73 2.07 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 1.37 1.22 0.92 0.00 0.00 7 G 7.89 4.13 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 0.00 0.00 0.00 8 N 7.74 4.41 0.00 2.84 2.85 0.00 0.00 6.90 7.82 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 9 I 7.55 4.16 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.13 0.96 0.00 0.00 10 T 7.93 3.88 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 1.22 0.00 0.00 11 S 8.19 4.10 0.00 3.91 3.92 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 12 Q 7.91 3.98 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.55 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 13 C 7.97 4.61 0.00 3.05 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 8.51 3.99 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.84 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 15 M 7.45 4.11 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.57 0.00 16 Q 7.17 4.13 0.00 1.85 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.25 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 17 H 7.94 4.88 0.00 3.17 3.27 0.00 5.59 0.00 0.00 0.00 0.00 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.50 4.25 0.00 1.96 1.78 0.00 1.82 0.00 0.00 1.86 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.52 7.81 19 N 8.65 4.18 0.00 2.76 2.78 0.00 0.00 7.22 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 20 C 8.84 3.92 0.00 3.25 3.22 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 21 E 8.44 4.48 0.00 1.96 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 2.27 2.45 0.00 22 D 7.33 4.67 0.00 2.64 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.53 4.50 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.52 4.37 0.00 2.91 3.09 0.00 0.00 6.76 6.86 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 25 G 8.01 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 0.00 0.00 0.00 0.00 26 C 7.53 4.79 0.00 3.03 3.09 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 0.00 0.00 0.00 0.00 27 D 8.07 4.52 0.00 2.65 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.09 4.78 4.38 0.00 0.00 0.00 0.00 0.00 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 29 I 7.71 3.80 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.09 0.90 0.00 0.00 30 I 7.79 3.79 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.04 0.95 0.00 0.00 31 E 7.58 3.96 0.00 2.33 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 0.00 2.31 2.33 0.00 32 E 7.80 3.93 0.00 2.18 1.91 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 2.30 2.39 0.00 33 C 8.12 4.42 0.00 3.15 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.61 4.10 0.00 1.88 1.83 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.48 7.81 35 T 8.61 3.87 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 1.28 0.00 0.00 36 S 7.50 4.08 0.00 4.04 3.87 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 37 M 7.74 4.41 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.57 0.00 38 V 7.91 4.04 2.14 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 1.27 0.00 0.00 0.98 0.00 0.00 39 E 7.69 3.89 0.00 2.46 1.94 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 2.30 2.37 0.00 40 R 7.99 3.99 0.00 1.85 1.95 0.00 3.28 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 41 C 8.14 4.75 0.00 3.05 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 42 Q 7.70 4.23 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 43 N 8.19 4.26 0.00 2.77 2.88 0.00 0.00 6.94 7.08 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 44 Q 7.84 4.19 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 45 E 8.81 4.09 0.00 2.23 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 46 F 8.16 3.81 0.00 3.03 3.10 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 47 E 7.72 3.95 0.00 2.10 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 2.25 2.25 0.00 48 S 9.60 4.19 0.00 4.08 4.13 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 49 A 7.19 2.71 0.96 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 0.00 0.00 50 A 7.16 4.30 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 51 G 6.99 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 0.00 0.00 0.00 52 S 8.09 4.17 0.00 3.82 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 53 T 7.52 4.25 4.15 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 1.17 0.00 0.00 54 T 7.41 4.35 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 55 L 7.58 4.12 0.00 1.70 1.69 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.51 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 57 P 0.00 4.59 0.00 2.22 2.12 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 58 Q 8.12 4.70 0.00 2.52 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00