NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.4069 8.0333 117.3763 63.6145 71.1392 175.9240 6 L 3.7994 7.9921 121.3589 57.5494 41.5327 177.7737 7 Q 3.9897 8.8207 118.6640 59.0616 29.1398 178.7373 8 K 3.5711 7.9643 118.6607 59.1968 31.9074 179.1663 9 A 3.3544 7.7762 121.2653 54.7471 17.9670 179.8328 10 I 3.8711 7.5781 118.2433 64.6799 37.2270 178.3569 11 D 4.3522 8.6552 120.3885 57.1326 40.5300 179.0642 12 L 3.8000 7.6740 119.7707 57.7733 41.7307 179.8738 13 V 3.4118 7.3827 119.0526 64.9930 31.0549 178.3887 14 T 3.8318 8.1916 116.7699 66.4905 68.4054 176.7384 15 K 4.0644 7.7749 120.1153 59.0820 32.0064 179.4010 16 A 3.5828 7.3484 120.8756 54.9935 17.9175 179.7802 17 T 3.9511 7.8809 115.7822 66.2179 68.4919 176.6346 18 E 3.9382 7.8020 119.5727 59.4289 29.3767 179.0395 19 E 3.8082 7.9072 119.0869 59.2893 29.3666 178.7824 20 D 4.2062 7.8288 116.4254 57.2649 41.2398 178.1621 21 K 4.1390 7.6295 117.9133 58.0793 32.1099 177.7211 22 A 4.5508 7.3031 119.7471 51.4387 20.0939 176.7680 23 K 3.3535 7.8104 116.7888 59.1672 29.9819 176.4082 24 N 4.7656 7.6635 117.9480 51.8000 37.9485 175.2162 25 Y 4.1889 7.7314 120.2795 60.7838 38.3983 176.9939 26 E 4.0575 8.3421 119.1226 59.7381 29.6165 179.1555 27 E 3.9823 8.1712 117.6742 59.3119 29.6268 179.2342 28 A 3.8406 8.0508 121.0122 54.5017 18.3042 179.5764 29 L 4.1212 8.1663 119.5518 58.4242 42.1695 179.2392 30 R 3.9997 7.9664 116.1272 59.4983 29.2137 178.7574 31 L 3.9372 7.7179 119.3793 57.2585 41.1277 179.0821 32 Y 4.1553 7.7752 117.0528 61.2069 37.9609 178.2067 33 Q 4.1987 8.6326 118.9094 59.7788 28.4210 178.4042 34 H 4.2409 8.2402 117.9339 58.2937 28.6944 177.6489 35 A 3.7380 7.9113 122.6911 55.1789 18.3399 179.7952 36 V 3.8789 8.2090 117.0036 66.2735 31.4842 177.7594 37 E 3.9967 8.3570 119.0440 59.6930 29.3679 178.4799 38 Y 3.8761 8.1216 116.5117 60.6084 37.9937 178.2341 39 F 4.3540 8.3155 119.0258 60.5984 39.0854 177.5974 40 L 4.0768 8.2732 118.6828 58.2567 41.3321 179.1393 41 H 4.0828 8.0720 117.8854 59.1309 29.6732 177.1567 42 A 4.0421 7.8317 122.5643 54.8225 17.9542 179.7985 43 I 4.1273 7.7386 118.9101 64.0251 37.3718 178.4428 44 K 4.1645 7.9445 118.2439 60.0848 32.2912 178.5709 45 Y 4.2138 7.8442 117.0911 59.4323 38.6289 175.5403 46 E 4.7480 8.4427 118.2331 54.9204 33.6471 174.4205 47 A 4.7493 8.1913 122.5413 52.4428 22.2102 175.8009 48 H 4.7637 8.4246 114.9451 56.6561 30.1273 175.5651 49 S 4.5974 7.2389 111.7456 57.1637 66.9079 176.5346 50 D 4.3909 8.4138 120.0709 57.7385 40.3838 178.6541 51 K 4.0243 8.0494 119.3741 59.5858 32.3746 178.4398 52 A 4.0156 7.9410 120.2773 55.2701 18.4674 179.5670 53 K 3.9604 8.5195 117.2798 59.4751 31.9413 179.5508 54 E 3.9543 8.2073 119.0046 59.5818 29.3069 179.4413 55 S 4.1027 7.8711 114.6691 61.7395 62.8383 176.9085 56 I 3.6808 7.7305 122.2874 63.9179 36.8044 178.8255 57 R 3.8665 7.9967 118.9445 59.2147 30.1282 178.7554 58 A 3.9836 8.2358 120.9241 55.2507 18.2033 179.8940 59 K 3.7863 7.7829 116.9208 59.3792 31.9544 179.5302 60 C 4.3105 7.7739 116.8497 62.7431 28.0828 176.0923 61 V 3.5674 8.3202 120.1733 66.1044 30.8987 177.8959 62 Q 3.8759 7.9082 118.9224 59.2745 28.7319 177.6849 63 Y 4.1050 7.5491 117.9191 60.7447 37.8454 178.1426 64 L 4.0047 8.2682 121.6732 58.1818 42.0765 178.6867 65 D 4.9028 7.7527 120.2778 57.0847 40.8765 179.0910 66 R 3.8837 7.7564 118.3145 58.8150 29.9183 178.9788 67 A 4.0423 7.5838 121.0087 55.2499 18.5410 179.4789 68 E 3.9584 8.0318 115.5426 59.5532 29.3554 179.2362 69 K 4.0534 7.8528 120.5082 58.8932 32.0490 179.0010 70 L 4.0686 7.7653 119.0954 57.7419 41.7847 179.1933 71 K 4.0038 8.2452 119.5005 59.5252 31.8276 178.1937 72 D 4.3636 7.9331 117.3955 56.9415 41.2043 177.2156 73 Y 4.1234 7.5409 119.3408 60.5565 38.8203 177.7089 74 L 4.0301 7.4873 118.5081 57.0535 42.1331 176.8812 75 R 4.0332 7.9351 122.4260 56.5966 29.9840 175.7955 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 5 T 8.03 4.41 4.23 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 1.17 0.00 0.00 6 L 7.99 3.80 0.00 1.76 1.76 1.06 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.82 3.99 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.89 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 8 K 7.96 3.57 0.00 1.88 1.50 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.46 7.81 9 A 7.78 3.35 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.58 3.87 1.90 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.00 0.99 0.00 0.00 11 D 8.66 4.35 0.00 2.76 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 12 L 7.67 3.80 0.00 1.70 1.75 0.33 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.38 3.41 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 1.07 0.00 0.00 0.12 0.00 0.00 14 T 8.19 3.83 4.33 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 0.00 0.00 0.00 1.18 0.00 0.00 15 K 7.77 4.06 0.00 1.71 1.72 0.00 1.77 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.49 7.81 16 A 7.35 3.58 -0.02 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 0.00 0.00 17 T 7.88 3.95 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 1.36 0.00 0.00 18 E 7.80 3.94 0.00 2.08 2.16 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 2.36 2.31 0.00 19 E 7.91 3.81 0.00 2.08 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 0.00 2.40 2.34 0.00 20 D 7.83 4.21 0.00 2.86 2.88 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 21 K 7.63 4.14 0.00 1.86 1.82 0.00 1.91 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.44 7.81 22 A 7.30 4.55 1.24 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 0.00 0.00 0.00 23 K 7.81 3.35 0.00 1.84 1.85 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.28 1.38 7.81 24 N 7.66 4.77 0.00 2.81 2.64 0.00 0.00 7.43 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 25 Y 7.73 4.19 0.00 3.12 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 26 E 8.34 4.06 0.00 2.06 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 0.00 2.50 2.55 0.00 27 E 8.17 3.98 0.00 1.97 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 2.36 2.36 0.00 28 A 8.05 3.84 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.17 4.12 0.00 2.02 1.92 1.01 0.89 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 30 R 7.97 4.00 0.00 2.06 2.20 0.00 2.77 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.76 0.00 31 L 7.72 3.94 0.00 1.54 1.67 0.77 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.78 4.16 0.00 3.32 2.93 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 33 Q 8.63 4.20 0.00 2.32 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.88 0.00 0.00 0.00 0.00 0.00 2.76 2.59 0.00 34 H 8.24 4.24 0.00 3.25 3.23 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.91 3.74 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.21 3.88 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 1.28 0.00 0.00 1.19 0.00 0.00 37 E 8.36 4.00 0.00 2.25 2.10 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 2.31 2.51 0.00 38 Y 8.12 3.88 0.00 3.06 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 39 F 8.32 4.35 0.00 3.42 3.06 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 0.00 0.00 0.00 40 L 8.27 4.08 0.00 1.73 1.75 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.07 4.08 0.00 3.13 2.98 0.00 5.58 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.83 4.04 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 0.00 0.00 43 I 7.74 4.13 2.04 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 1.26 1.96 0.95 0.00 0.00 44 K 7.94 4.16 0.00 2.05 2.02 0.00 1.60 0.00 0.00 1.55 0.00 0.00 3.20 0.00 0.00 3.43 0.00 0.00 0.00 0.00 1.74 1.91 7.81 45 Y 7.84 4.21 0.00 2.96 3.08 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 0.00 0.00 0.00 46 E 8.44 4.75 0.00 1.99 1.83 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 2.26 2.29 0.00 47 A 8.19 4.75 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 48 H 8.42 4.76 0.00 3.15 3.33 0.00 5.76 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 S 7.24 4.60 0.00 3.85 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 50 D 8.41 4.39 0.00 2.69 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 51 K 8.05 4.02 0.00 1.87 1.81 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.57 7.81 52 A 7.94 4.02 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 53 K 8.52 3.96 0.00 2.03 1.88 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.64 7.81 54 E 8.21 3.95 0.00 2.31 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 0.00 2.32 2.49 0.00 55 S 7.87 4.10 0.00 3.96 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 56 I 7.73 3.68 1.84 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 1.45 1.29 0.78 0.00 0.00 57 R 8.00 3.87 0.00 2.10 1.96 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 58 A 8.24 3.98 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 59 K 7.78 3.79 0.00 1.73 1.78 0.00 1.80 0.00 0.00 1.54 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.35 7.81 60 C 7.77 4.31 0.00 3.15 3.05 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 0.00 0.00 0.00 0.00 61 V 8.32 3.57 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 0.93 0.00 0.00 0.93 0.00 0.00 62 Q 7.91 3.88 0.00 2.18 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.45 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 63 Y 7.55 4.11 0.00 3.23 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.27 4.00 0.00 1.94 1.81 0.97 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 65 D 7.75 4.90 0.00 2.87 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 66 R 7.76 3.88 0.00 1.64 1.69 0.00 3.04 0.00 0.00 3.01 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 67 A 7.58 4.04 1.43 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 0.00 0.00 0.00 68 E 8.03 3.96 0.00 2.22 2.25 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 2.48 2.42 0.00 69 K 7.85 4.05 0.00 1.94 2.00 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.48 7.81 70 L 7.77 4.07 0.00 2.06 2.04 1.20 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 71 K 8.25 4.00 0.00 1.89 1.85 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.51 7.81 72 D 7.93 4.36 0.00 2.92 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 73 Y 7.54 4.12 0.00 2.91 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 74 L 7.49 4.03 0.00 1.63 1.71 1.16 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.94 4.03 0.00 1.89 1.83 0.00 3.34 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00