NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3166 8.4449 120.2254 56.1660 31.3071 176.3936 4 R 4.0260 7.9989 117.8098 54.5355 32.4068 174.5168 5 P 4.1908 0.0000 0.0000 66.2872 31.7361 178.8013 6 L 3.9726 7.8663 116.6387 57.5451 41.4843 179.1176 7 D 4.2964 7.8784 118.6646 57.3172 40.6869 178.3652 8 V 3.5473 7.4667 117.5127 66.2833 31.6835 177.8731 9 I 3.6649 7.5924 119.0740 64.5924 37.0232 177.7700 10 H 3.9297 8.0938 119.2299 59.3285 29.4943 176.7892 11 R 4.2184 8.1820 116.4213 57.1925 30.2015 177.6633 12 S 4.5754 7.8902 115.2395 57.0370 63.6537 173.8701 13 L 4.2755 7.1131 122.2023 56.6124 41.8339 176.6518 14 D 4.4546 9.8896 120.9270 54.9285 39.4655 173.4704 15 K 4.7433 7.7258 118.2206 54.0926 35.9469 175.0211 16 D 4.9558 8.5523 122.1939 54.7332 42.4107 175.4121 17 V 4.9589 9.0634 118.6941 59.5064 36.4897 174.0269 18 L 4.9935 9.1921 125.9227 53.4856 44.2367 175.1700 19 V 4.7111 9.2176 127.3340 61.3856 33.4639 174.3408 20 I 4.4851 8.8207 130.8477 60.6078 38.2249 176.1080 21 L 4.9037 8.8171 127.9164 53.4201 43.0663 177.1715 22 K 4.0182 8.4796 119.8956 59.0967 32.5588 179.3377 23 K 4.0731 7.7828 118.7822 56.5374 32.1109 179.2330 24 G 4.0442 8.2148 105.8284 46.1775 0.0000 174.5542 25 F 4.8259 7.7738 118.7939 58.0402 40.4320 174.2490 26 E 5.3108 8.4490 119.1443 55.2538 34.5441 174.2392 27 F 5.2702 9.3835 121.1090 55.7821 42.9195 174.1982 28 R 5.0490 8.4350 121.2778 54.4046 33.3558 175.5599 29 G 4.0612 8.1871 108.5372 46.3969 0.0000 171.3631 30 R 4.8888 8.0113 121.0055 54.5570 30.8992 175.6992 31 L 4.5970 8.6291 130.4434 55.5113 42.6907 176.8997 32 I 4.4606 8.1976 119.2473 60.2889 38.9782 175.0443 33 G 4.1637 7.4813 109.1569 46.4118 0.0000 171.5556 34 Y 5.2386 7.6148 117.0962 56.9438 40.3600 172.0059 35 D 4.7380 8.2658 118.5705 51.3206 42.6192 176.0840 36 I 3.7544 8.2245 117.8694 64.2106 37.9062 176.0934 37 H 4.6133 8.1854 115.0150 55.4120 28.6311 175.0006 38 L 3.8001 8.0099 118.1416 55.7510 39.6963 174.4072 39 N 4.8996 8.3627 115.9134 53.5667 39.8395 174.7050 40 V 5.0684 8.8963 114.2920 59.8670 37.2190 174.3157 41 V 4.7683 8.4896 121.1387 61.2330 34.2720 174.2328 42 L 5.3523 9.0453 127.4785 52.9105 45.0246 175.1538 43 A 4.9721 8.7654 123.6686 50.6575 21.8059 176.1514 44 D 4.6285 8.3472 119.9838 55.3070 39.1538 173.3871 45 A 4.9421 8.4909 121.3759 51.2429 22.0257 177.8988 46 E 5.1244 9.2331 118.6161 54.6246 33.1634 175.2025 47 M 3.7623 9.3651 126.6359 55.1999 33.3476 174.8026 48 I 4.6949 8.5017 127.9208 59.5461 39.5421 174.4933 49 Q 4.4797 9.2308 129.0661 54.1752 30.8155 173.8027 50 D 4.3732 9.7443 124.6339 54.7126 37.6728 173.5206 51 G 3.9450 8.6596 108.1161 46.5111 0.0000 170.9361 52 E 4.5586 7.5151 115.5703 54.4811 32.5601 174.3629 53 V 4.2414 8.2776 121.9357 62.6660 31.5905 175.6749 54 V 4.3383 8.2634 120.4399 61.4890 33.3831 176.2885 55 K 4.5437 7.6423 118.7538 54.9250 36.6061 175.0609 56 R 5.1277 8.0397 121.2858 54.6750 33.7492 174.5859 57 Y 4.6720 9.2551 119.7883 56.2443 41.7447 176.8005 58 G 3.8074 9.0463 111.0053 49.1683 0.0000 173.4605 59 K 5.0804 7.7477 119.4092 55.3407 35.3542 174.9358 60 I 4.5010 8.7769 127.1254 59.3093 41.8418 173.5928 61 V 4.6067 8.3056 128.8767 61.5667 32.6431 174.5744 62 I 4.3711 8.4200 129.5843 59.4141 39.8901 175.4925 63 R 4.4056 8.4871 125.9982 55.3181 30.9906 177.9353 64 G 3.7215 8.7925 111.7014 48.4819 0.0000 174.8602 65 D 4.3508 8.1969 118.4357 56.8421 41.5041 176.4466 66 N 4.7835 8.1461 114.5191 52.7505 38.8768 174.1685 67 V 4.3197 7.8315 119.7508 62.0052 32.5094 175.2984 68 L 4.4607 8.7840 129.0415 56.9311 43.1324 176.0645 69 A 4.4890 7.2719 116.8784 51.4528 22.3889 175.2151 70 I 5.0755 8.4249 119.3098 59.5846 40.9186 175.0425 71 S 4.6915 9.1535 121.2475 55.8046 65.5231 171.0391 72 P 4.7945 0.0000 0.0000 62.1696 31.9637 176.4382 73 T 4.1136 8.6931 121.0799 64.0601 68.0286 174.0694 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 3 E 8.44 4.32 0.00 1.97 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 2.21 2.28 0.00 4 R 8.00 4.03 0.00 2.05 1.83 0.00 3.15 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 5 P 0.00 4.19 0.00 2.13 2.11 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 6 L 7.87 3.97 0.00 1.68 1.72 0.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.88 4.30 0.00 2.83 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 8 V 7.47 3.55 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.95 0.00 0.00 9 I 7.59 3.66 1.56 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.55 0.29 0.00 0.00 10 H 8.09 3.93 0.00 3.28 3.48 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.18 4.22 0.00 1.76 1.94 0.00 3.20 0.00 0.00 3.24 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 12 S 7.89 4.58 0.00 3.96 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 13 L 7.11 4.28 0.00 1.62 1.63 1.12 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 14 D 9.89 4.45 0.00 2.81 2.75 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 15 K 7.73 4.74 0.00 1.82 1.67 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.61 7.81 16 D 8.55 4.96 0.00 2.77 2.55 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 17 V 9.06 4.96 2.09 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 0.82 0.00 0.00 1.01 0.00 0.00 18 L 9.19 4.99 0.00 1.72 1.65 1.07 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 19 V 9.22 4.71 2.23 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 1.05 0.00 0.00 0.97 0.00 0.00 20 I 8.82 4.49 1.91 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 1.50 0.42 0.95 0.00 0.00 21 L 8.82 4.90 0.00 1.81 1.71 1.38 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.48 4.02 0.00 1.64 1.86 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.68 1.58 7.81 23 K 7.78 4.07 0.00 1.00 1.31 0.00 1.49 0.00 0.00 1.67 0.00 0.00 2.13 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 1.24 7.81 24 G 8.21 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 25 F 7.77 4.83 0.00 3.02 2.83 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 26 E 8.45 5.31 0.00 1.81 1.79 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 2.28 2.49 0.00 27 F 9.38 5.27 0.00 2.99 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 28 R 8.43 5.05 0.00 1.79 1.83 0.00 3.20 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 29 G 8.19 4.06 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 0.00 0.00 0.00 30 R 8.01 4.89 0.00 1.94 1.84 0.00 3.24 0.00 0.00 3.11 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 31 L 8.63 4.60 0.00 1.86 1.72 1.05 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.20 4.46 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 1.33 0.85 1.00 0.00 0.00 33 G 7.48 4.16 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 0.00 0.00 0.00 34 Y 7.61 5.24 0.00 3.02 2.91 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 35 D 8.27 4.74 0.00 2.84 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 36 I 8.22 3.75 1.80 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 0.66 0.61 0.00 0.00 37 H 8.19 4.61 0.00 3.45 3.31 0.00 5.87 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.01 3.80 0.00 1.84 1.81 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.36 4.90 0.00 3.06 2.74 0.00 0.00 6.79 6.96 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 40 V 8.90 5.07 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 0.81 0.00 0.00 0.90 0.00 0.00 41 V 8.49 4.77 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 0.96 0.00 0.00 0.91 0.00 0.00 42 L 9.05 5.35 0.00 1.52 1.53 0.95 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.77 4.97 1.23 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 0.00 0.00 44 D 8.35 4.63 0.00 2.79 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 45 A 8.49 4.94 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.23 5.12 0.00 1.90 1.84 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 2.24 2.26 0.00 47 M 9.37 3.76 0.00 1.93 2.11 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.76 0.00 48 I 8.50 4.69 1.77 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.75 0.92 0.00 0.00 49 Q 9.23 4.48 0.00 1.81 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.09 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 50 D 9.74 4.37 0.00 2.90 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 51 G 8.66 3.95 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 0.00 0.00 0.00 52 E 7.52 4.56 0.00 1.92 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 2.42 2.19 0.00 53 V 8.28 4.24 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 0.81 0.00 0.00 0.90 0.00 0.00 54 V 8.26 4.34 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.81 0.00 0.00 55 K 7.64 4.54 0.00 1.68 1.23 0.00 1.50 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.45 7.81 56 R 8.04 5.13 0.00 1.50 1.72 0.00 3.09 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 57 Y 9.26 4.67 0.00 2.90 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 58 G 9.05 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 59 K 7.75 5.08 0.00 1.76 1.67 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.42 7.81 60 I 8.78 4.50 1.55 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.07 0.59 0.00 0.00 61 V 8.31 4.61 2.01 0.00 0.00 0.00 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 0.89 0.00 0.00 62 I 8.42 4.37 1.73 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.28 0.80 0.00 0.00 63 R 8.49 4.41 0.00 1.86 1.84 0.00 3.12 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 64 G 8.79 3.72 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 0.00 0.00 0.00 65 D 8.20 4.35 0.00 2.62 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 66 N 8.15 4.78 0.00 2.86 2.83 0.00 0.00 6.47 7.28 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 67 V 7.83 4.32 2.23 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 0.79 0.00 0.00 0.95 0.00 0.00 68 L 8.78 4.46 0.00 1.64 1.92 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.27 4.49 1.21 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 0.00 0.00 0.00 70 I 8.42 5.08 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.72 0.90 0.00 0.00 71 S 9.15 4.69 0.00 3.83 3.66 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 0.00 0.00 0.00 0.00 72 P 0.00 4.79 0.00 1.97 1.96 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 73 T 8.69 4.11 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 1.25 0.00 0.00