NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 D 4.5729 8.3644 120.5334 54.6829 42.2314 177.0173 25 H 4.6431 7.4493 120.9806 53.0338 29.4960 172.8280 26 H 4.2744 9.0694 122.7766 58.1143 29.6674 176.5593 27 Y 3.1294 7.2164 118.6219 60.2341 37.3255 177.8696 28 A 4.0870 7.3598 120.6651 54.9241 18.4532 178.5478 29 M 4.3640 7.9944 115.0306 56.0984 32.7253 177.4410 30 W 4.4703 8.8446 119.7290 57.0087 29.5813 177.6543 31 D 4.4608 8.1611 119.8225 56.7794 38.5573 178.5929 32 A 4.0019 8.0119 121.8762 54.3260 18.4804 179.1420 33 A 3.8374 7.9124 118.8327 55.5923 18.5569 178.5303 34 Y 4.0706 8.2220 118.2455 61.4801 38.5895 178.9245 35 V 3.4849 7.9644 118.0829 65.5600 31.7739 177.5069 36 L 4.2335 7.9559 117.3902 55.3355 41.6236 177.8292 37 G 3.7545 7.7856 106.4925 45.5552 0.0000 174.1040 38 A 4.3031 7.6517 121.7058 52.3629 19.3785 178.8626 39 L 4.0789 7.5511 116.2171 54.0841 42.4974 177.7337 40 S 4.3775 8.3374 117.1025 57.6938 65.2191 174.9302 41 A 4.0377 8.6418 123.6805 55.6443 17.9959 179.5394 42 A 4.0243 8.1155 117.9733 55.7935 18.4422 179.5231 43 D 4.6425 8.0693 116.5978 57.5356 40.8960 178.9543 44 R 4.2679 8.9413 119.7884 59.4991 29.9983 178.7634 45 R 3.9302 8.3141 117.7901 59.3680 30.1018 178.4547 46 E 3.9762 8.3102 118.3211 59.7417 29.6101 179.5497 47 F 3.8233 8.9002 120.4243 61.2980 39.6466 176.8568 48 E 3.5984 8.6860 118.3685 59.2288 29.0139 179.1879 49 A 3.8556 7.8274 119.7786 55.5019 18.5328 178.8556 50 H 3.8927 7.5498 115.3696 59.0494 30.0862 176.6207 51 L 3.5673 7.7101 122.2294 56.8968 41.8204 177.2197 52 A 4.0156 7.1615 120.9595 53.1005 18.7196 177.0990 53 G 3.8513 8.7850 109.3942 46.2446 0.0000 173.6735 54 C 4.5444 7.4416 120.3323 55.2226 31.8807 172.4463 55 P 4.2292 0.0000 0.0000 65.2359 30.8068 178.3739 56 E 3.9278 8.0212 118.1463 59.7381 29.6320 178.8004 57 C 4.2931 8.0564 116.2188 62.7374 28.2431 176.1040 58 R 3.9922 8.2107 120.0795 59.3364 29.6714 179.3562 59 G 3.6201 8.2128 105.2352 47.3949 0.0000 175.7485 60 A 4.1920 8.1742 123.0443 55.3840 18.6430 180.2477 61 V 3.7842 8.0204 110.8765 64.8261 31.3533 178.9219 62 T 3.9577 7.7533 114.8750 66.7500 68.3215 176.1462 63 E 4.1538 7.9636 119.6565 59.0918 29.7938 178.7272 64 L 4.3388 8.0117 117.9795 56.2294 41.7719 178.5377 65 C 4.2534 7.9209 113.0408 60.2813 30.0049 174.9292 66 G 3.7553 8.0058 108.8433 47.1057 0.0000 175.9247 67 V 3.5421 8.1820 120.4320 65.5489 31.5752 175.7700 68 P 4.2811 0.0000 0.0000 65.7408 30.9565 177.9452 69 A 3.9921 8.0775 117.3295 55.6041 18.2947 179.2952 70 L 4.1008 7.7191 116.5473 57.8757 41.7344 179.6085 71 L 4.0317 8.7996 120.3479 57.7100 41.3601 179.3763 72 S 4.3316 8.2632 112.9874 60.4265 62.9041 175.4943 73 Q 4.3136 7.6220 120.4944 56.9910 28.9550 174.6305 74 L 5.0244 7.6856 119.7928 52.8904 45.3350 174.2097 75 D 4.8115 8.4870 117.5258 51.8252 42.7219 176.0076 76 R 3.8776 8.8448 118.8838 59.8622 29.9619 177.2123 77 D 4.5005 7.5943 116.2201 57.5469 41.0558 177.5157 78 E 4.0604 8.3575 116.8776 59.4352 29.6421 177.2410 79 V 3.7604 7.4167 120.8250 63.0864 31.4853 175.3420 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 24 D 8.36 4.57 0.00 2.67 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 25 H 7.45 4.64 0.00 3.22 3.19 0.00 5.69 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 H 9.07 4.27 0.00 3.32 3.40 0.00 5.52 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.22 3.13 0.00 2.51 2.68 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 0.00 0.00 0.00 0.00 28 A 7.36 4.09 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 29 M 7.99 4.36 0.00 2.13 2.46 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.77 0.00 30 W 8.84 4.47 0.00 2.69 2.62 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 0.00 0.00 0.00 31 D 8.16 4.46 0.00 3.02 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 32 A 8.01 4.00 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 33 A 7.91 3.84 1.20 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 0.00 0.00 0.00 34 Y 8.22 4.07 0.00 2.86 3.28 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 35 V 7.96 3.48 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 0.89 0.00 0.00 1.08 0.00 0.00 36 L 7.96 4.23 0.00 1.61 1.66 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.79 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 38 A 7.65 4.30 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 39 L 7.55 4.08 0.00 1.69 1.68 0.66 1.11 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 40 S 8.34 4.38 0.00 4.05 3.97 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 0.00 0.00 0.00 0.00 41 A 8.64 4.04 1.37 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 0.00 0.00 0.00 0.00 0.00 42 A 8.12 4.02 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 43 D 8.07 4.64 0.00 2.87 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 44 R 8.94 4.27 0.00 2.07 2.21 0.00 3.22 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 45 R 8.31 3.93 0.00 2.25 2.02 0.00 3.38 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 46 E 8.31 3.98 0.00 2.52 2.24 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 2.47 2.53 0.00 47 F 8.90 3.82 0.00 3.45 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 48 E 8.69 3.60 0.00 2.07 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 2.31 2.51 0.00 49 A 7.83 3.86 1.30 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 0.00 0.00 50 H 7.55 3.89 0.00 2.26 2.54 0.00 5.97 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.71 3.57 0.00 1.34 1.35 0.40 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.16 4.02 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.78 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 54 C 7.44 4.54 0.00 2.56 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 55 P 0.00 4.23 0.00 2.28 2.27 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 56 E 8.02 3.93 0.00 2.07 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 0.00 2.41 2.37 0.00 57 C 8.06 4.29 0.00 2.89 2.95 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 0.00 0.00 0.00 58 R 8.21 3.99 0.00 2.01 1.95 0.00 3.07 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 59 G 8.21 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.17 4.19 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.02 3.78 2.35 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 1.28 0.00 0.00 1.11 0.00 0.00 62 T 7.75 3.96 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 1.23 0.00 0.00 63 E 7.96 4.15 0.00 2.15 2.04 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 2.37 2.53 0.00 64 L 8.01 4.34 0.00 1.80 1.75 1.04 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 65 C 7.92 4.25 0.00 3.16 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 66 G 8.01 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 67 V 8.18 3.54 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 1.03 0.00 0.00 0.94 0.00 0.00 68 P 0.00 4.28 0.00 2.18 2.09 0.00 3.91 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 2.11 2.16 0.00 69 A 8.08 3.99 1.38 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 0.00 0.00 0.00 70 L 7.72 4.10 0.00 1.91 1.72 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.80 4.03 0.00 1.91 1.71 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.26 4.33 0.00 3.98 4.09 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 73 Q 7.62 4.31 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.65 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 74 L 7.69 5.02 0.00 1.58 1.72 0.92 1.19 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 75 D 8.49 4.81 0.00 2.86 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 76 R 8.84 3.88 0.00 1.78 2.02 0.00 3.23 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 77 D 7.59 4.50 0.00 2.75 2.71 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 0.00 0.00 0.00 0.00 78 E 8.36 4.06 0.00 1.95 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 2.32 2.61 0.00 79 V 7.42 3.76 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 0.70 0.00 0.00 0.92 0.00 0.00