NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5567 0.0000 0.0000 62.6489 33.6201 174.7292 2 M 5.3548 8.6146 120.2647 53.3866 35.4419 173.5876 3 I 4.9534 9.3510 123.8673 59.5452 41.6666 174.3577 4 S 5.3480 8.8676 119.1250 56.7715 66.6124 172.8922 5 C 4.8086 8.9691 121.1847 57.9858 34.4562 172.2831 6 D 5.5215 8.9131 127.0062 53.6151 41.7143 175.7426 7 M 4.3849 8.9251 119.8890 53.7211 35.2121 174.3202 8 R 4.5070 7.5734 118.1686 55.9442 30.8908 176.3622 9 Y 4.4266 8.1842 123.9340 58.1913 39.0779 175.3517 10 G 3.6378 8.2557 113.2811 45.3800 0.0000 174.6119 11 R 4.1638 7.3012 119.9358 55.9739 30.8789 177.0705 12 T 4.1977 8.8627 112.2829 61.2125 70.9833 175.5368 13 D 4.3278 8.5815 121.6469 57.8652 40.7717 179.1036 14 E 3.9511 8.1374 118.2663 59.4983 29.4601 179.2803 15 Q 3.9695 8.2135 118.0154 58.9588 28.7250 178.9946 16 K 3.9798 8.1998 119.5258 59.5861 32.0451 179.6368 17 R 3.9140 8.3899 118.4171 59.0251 29.9571 178.9520 18 A 3.9430 8.2144 120.7791 55.0053 18.3284 179.4446 19 L 3.8562 8.0914 119.1418 58.2505 42.1835 179.3239 20 S 3.6866 8.3597 114.1584 61.2322 62.9247 176.0398 21 A 4.0171 7.9690 124.8003 54.8085 18.0922 179.9139 22 G 3.4161 7.9788 103.8725 47.9437 0.0000 175.9764 23 L 3.8396 7.8421 122.1763 57.2280 41.5040 179.5025 24 L 3.8562 8.0094 119.3311 57.7171 41.5631 179.5558 25 R 3.8296 7.8142 118.3891 59.6821 30.0633 179.0664 26 V 3.6358 7.8192 112.1274 64.4127 31.4796 178.7621 27 I 3.7204 7.9287 119.7828 64.1369 37.0064 178.2903 28 S 4.3102 8.2706 115.7715 60.9688 62.0107 176.0932 29 E 3.9453 7.9807 119.5218 59.4818 29.2683 178.9999 30 A 4.1594 7.9329 120.0249 54.3874 18.6070 178.7906 31 T 4.3767 8.0417 106.0624 60.7727 69.6656 175.5590 32 G 3.9331 7.6370 108.9969 46.3405 0.0000 172.9469 33 E 4.6270 7.6570 118.9862 53.3259 31.3477 174.3150 34 P 4.4048 0.0000 0.0000 62.4082 32.4511 177.2797 35 R 3.9308 8.7803 119.0161 59.7786 30.1212 178.9201 36 E 4.0339 8.2065 115.6446 59.0210 29.5255 177.2661 37 N 4.7067 8.3175 114.5986 53.0477 38.7463 174.5210 38 I 4.6630 7.5275 120.2721 59.4965 38.9279 175.1203 39 F 4.6264 9.1153 130.7193 57.5984 40.8296 174.1665 40 F 5.5206 7.5606 126.6127 56.3622 42.4215 173.8920 41 V 3.9471 8.2099 124.6315 59.7272 34.4511 174.2915 42 I 4.3831 7.7626 124.9805 59.8951 38.8112 175.0874 43 R 4.5841 9.1545 126.3220 54.5886 32.5695 174.8174 44 E 5.7885 8.3226 123.6054 54.4657 32.1693 175.3707 45 G 4.6280 8.6585 108.9071 44.4521 0.0000 171.9539 46 S 4.8430 8.8077 114.5410 57.7108 64.0555 175.7273 47 G 3.9110 9.7498 110.1839 48.2955 0.0000 176.0912 48 I 3.8489 7.8466 118.8307 63.5337 38.0556 176.2511 49 N 4.5113 8.0178 116.0404 54.3093 38.7481 174.6677 50 F 4.5599 8.4938 118.5306 55.2790 41.3440 174.2840 51 V 4.6569 8.4298 124.9375 60.9308 33.1578 174.0564 52 E 4.5775 8.6928 127.9807 55.8202 32.0355 175.2200 53 H 3.8814 9.7958 122.2562 57.0569 26.4708 175.3671 54 G 3.9549 8.5997 103.1191 45.9404 0.0000 173.5987 55 E 4.7126 8.0469 119.4136 54.0133 32.7098 174.8644 56 H 4.9149 8.8207 122.3540 55.9354 29.5651 174.8591 57 L 4.7805 8.2151 122.8153 53.0437 43.1112 174.9684 58 P 4.6504 0.0000 0.0000 62.2537 33.1009 175.1470 59 D 4.6325 8.6655 120.1234 54.7766 41.5174 176.0202 60 Y 4.1517 8.7392 123.6709 57.2324 39.3867 175.0727 61 V 4.0829 7.5544 126.6318 58.7334 32.7739 173.5067 62 P 3.6946 0.0000 0.0000 63.2753 31.1852 176.4795 63 G 3.6161 9.3636 107.4645 49.5716 0.0000 172.0103 64 N 4.1369 8.6750 122.2963 53.2609 39.4786 174.2123 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 P 0.00 4.56 0.00 2.13 2.06 0.00 3.67 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 2 M 8.61 5.35 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.71 0.00 3 I 9.35 4.95 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.11 0.96 0.00 0.00 4 S 8.87 5.35 0.00 3.86 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 5 C 8.97 4.81 0.00 3.28 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 6 D 8.91 5.52 0.00 2.76 2.86 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 0.00 0.00 0.00 0.00 7 M 8.93 4.38 0.00 1.94 1.85 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 8 R 7.57 4.51 0.00 1.46 1.88 0.00 3.33 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.82 0.00 9 Y 8.18 4.43 0.00 3.01 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 10 G 8.26 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.30 4.16 0.00 1.59 1.75 0.00 2.46 0.00 0.00 2.84 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.58 0.00 12 T 8.86 4.20 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 1.22 0.00 0.00 13 D 8.58 4.33 0.00 2.72 2.76 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 14 E 8.14 3.95 0.00 2.00 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 2.39 2.40 0.00 15 Q 8.21 3.97 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 16 K 8.20 3.98 0.00 1.92 1.85 0.00 1.58 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.56 7.81 17 R 8.39 3.91 0.00 1.98 1.97 0.00 3.12 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 18 A 8.21 3.94 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 19 L 8.09 3.86 0.00 1.88 1.94 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.36 3.69 0.00 4.19 4.42 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.97 4.02 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 22 G 7.98 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.84 3.84 0.00 1.10 1.31 0.42 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.01 3.86 0.00 1.74 1.66 0.81 0.68 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 25 R 7.81 3.83 0.00 1.91 2.09 0.00 3.07 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 26 V 7.82 3.64 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 0.74 0.00 0.00 0.95 0.00 0.00 27 I 7.93 3.72 1.89 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 1.45 0.83 0.90 0.00 0.00 28 S 8.27 4.31 0.00 3.87 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 29 E 7.98 3.95 0.00 1.98 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 2.33 2.68 0.00 30 A 7.93 4.16 1.33 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 0.00 0.00 0.00 31 T 8.04 4.38 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 32 G 7.64 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 33 E 7.66 4.63 0.00 1.98 1.87 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 2.25 2.38 0.00 34 P 0.00 4.40 0.00 2.49 2.18 0.00 3.73 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 1.99 0.00 35 R 8.78 3.93 0.00 1.89 2.05 0.00 3.12 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 36 E 8.21 4.03 0.00 1.95 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 2.33 2.41 0.00 37 N 8.32 4.71 0.00 2.87 2.86 0.00 0.00 6.83 6.99 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 38 I 7.53 4.66 2.00 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 1.13 0.61 0.92 0.00 0.00 39 F 9.12 4.63 0.00 3.22 2.97 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 40 F 7.56 5.52 0.00 2.72 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.21 3.95 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 0.84 0.00 0.00 0.87 0.00 0.00 42 I 7.76 4.38 1.63 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 1.14 -0.34 0.81 0.00 0.00 43 R 9.15 4.58 0.00 1.84 1.85 0.00 3.26 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 44 E 8.32 5.79 0.00 2.10 2.12 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 2.31 2.14 0.00 45 G 8.66 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.81 4.84 0.00 4.21 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 47 G 9.75 3.91 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 0.00 0.00 0.00 48 I 7.85 3.85 1.91 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.75 0.95 0.00 0.00 49 N 8.02 4.51 0.00 2.89 2.57 0.00 0.00 6.79 7.89 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 50 F 8.49 4.56 0.00 3.30 2.96 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 51 V 8.43 4.66 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 0.76 0.00 0.00 0.59 0.00 0.00 52 E 8.69 4.58 0.00 2.06 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 53 H 9.80 3.88 0.00 3.33 3.32 0.00 5.85 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 54 G 8.60 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 55 E 8.05 4.71 0.00 2.05 1.77 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 2.23 2.35 0.00 56 H 8.82 4.91 0.00 3.21 3.28 0.00 5.74 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.22 4.78 0.00 1.83 1.65 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.65 0.00 2.14 2.20 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.02 0.00 59 D 8.67 4.63 0.00 2.63 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.74 4.15 0.00 2.83 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 61 V 7.55 4.08 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 0.82 0.00 0.00 0.83 0.00 0.00 62 P 0.00 3.69 0.00 2.04 2.11 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.42 0.00 63 G 9.36 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 64 N 8.67 4.14 0.00 2.72 2.94 0.00 0.00 7.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00