NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.5421 0.0000 0.0000 62.8822 33.2539 174.8350 3 M 5.2718 8.7849 122.3791 53.1803 35.2271 173.3638 4 I 4.8181 9.1284 124.6867 59.4481 41.0778 174.4733 5 S 5.2204 8.8153 119.8128 56.8133 66.4810 173.4208 6 C 4.6595 9.0322 121.6158 58.2272 34.2978 172.2714 7 D 5.4523 8.8110 127.2828 53.8139 41.5390 175.9451 8 M 4.5714 9.2069 119.8363 53.8514 34.9794 174.4163 9 R 4.3149 7.4695 118.5927 56.3963 30.8163 176.2495 10 Y 4.4324 8.0804 123.6366 57.8282 39.0822 174.5406 11 G 3.7343 7.7931 114.5354 45.9382 0.0000 175.2552 12 R 3.9140 7.2985 118.6905 56.5519 30.6114 177.0351 13 T 4.2848 9.1051 112.8188 60.9216 71.3950 175.8031 14 D 4.3731 8.6347 123.5767 58.1614 40.8196 179.5448 15 E 3.9943 8.1204 118.1672 61.3306 29.7795 180.9787 16 Q 4.1837 8.0401 119.3648 58.7322 28.6944 179.1682 17 K 4.0189 8.3390 120.0260 59.4104 32.1197 179.5192 18 R 4.0892 8.4553 117.2502 58.1599 29.5647 178.7074 19 A 4.0109 7.9844 121.9207 54.6725 18.2304 179.3407 20 L 3.7970 7.9905 119.2661 58.2844 41.9518 179.1134 21 S 3.7368 8.3832 114.1422 61.5292 62.8836 176.2192 22 A 4.0593 8.1434 124.5872 54.5973 18.0904 179.9146 23 G 3.4106 7.9438 103.9937 47.9546 0.0000 175.9025 24 L 3.8457 7.9304 122.6015 57.3488 41.5939 179.7216 25 L 3.8722 8.1397 119.1801 57.5489 41.3942 179.7250 26 R 3.8259 7.7317 118.4583 59.6777 30.1539 179.1492 27 V 3.7591 7.8199 112.0114 64.1382 31.3660 178.8226 28 I 3.7120 7.9454 120.1650 64.2949 36.9719 178.4980 29 S 4.3326 8.3764 117.5637 61.1159 62.5256 176.7322 30 E 4.2018 8.2069 118.5212 59.0803 29.2831 178.4687 31 A 4.2268 7.7510 120.8728 53.8885 18.9209 178.5117 32 T 4.3841 8.1302 106.0683 61.0076 70.1358 176.0096 33 G 3.9445 8.6851 109.7333 45.3518 0.0000 173.5408 34 E 4.1070 7.6330 121.9348 55.1497 30.4031 174.4841 35 P 4.4781 0.0000 0.0000 62.4653 32.7608 177.9082 36 R 3.9529 8.5398 117.2737 59.3685 29.3710 179.7007 37 E 4.1743 8.2282 115.0950 58.9299 29.6009 177.2612 38 N 4.9680 8.1682 115.1254 52.7137 38.8944 174.0034 39 I 4.8528 7.5979 118.9562 59.5021 39.7996 174.7840 40 F 5.1737 9.3520 129.4416 56.4287 42.1653 173.8687 41 F 5.3771 7.6394 126.2652 56.3647 42.5340 173.8736 42 V 3.9173 8.4432 124.6131 59.7445 34.6024 174.1424 43 I 4.5067 7.8054 124.5519 59.6657 39.0130 175.0299 44 R 4.6266 9.0739 125.8798 54.5298 32.2623 174.7883 45 E 5.7269 8.2779 123.1053 54.4754 32.6756 175.0945 46 G 4.3279 8.4363 107.8807 45.3405 0.0000 172.2192 47 S 4.8314 8.8455 114.4534 57.2509 63.5171 174.8280 48 G 4.1421 8.7936 113.7557 48.0934 0.0000 175.7792 49 I 3.8489 7.8411 118.3389 63.4794 38.1047 175.9411 50 N 4.6783 8.6681 116.0726 53.4807 38.8669 174.5476 51 F 4.5922 8.4880 118.9595 55.3589 41.0754 174.4305 52 V 4.7424 8.3766 125.0215 60.9512 33.4916 174.3441 53 E 4.6073 8.6419 126.2050 56.0372 32.8549 175.6171 54 H 4.0866 9.6792 119.1295 57.3774 26.2648 174.8553 55 G 4.0870 8.3534 100.6003 46.0761 0.0000 173.4133 56 E 4.7108 8.0306 117.9703 54.4618 33.6974 174.8495 57 H 4.8369 8.8828 120.6171 56.1462 29.5195 174.9551 58 L 4.7362 8.5349 121.6812 53.0265 43.2124 174.8277 59 P 4.6801 0.0000 0.0000 62.0962 33.4739 174.9544 60 D 4.6098 8.4876 119.9778 53.7621 41.3436 176.1015 61 Y 4.1306 8.6026 124.2768 58.3451 39.2749 176.3635 62 V 3.6386 7.1693 123.8026 62.8258 31.6047 175.4149 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 2 P 0.00 4.54 0.00 2.16 2.27 0.00 3.81 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 2.13 2.03 0.00 3 M 8.78 5.27 0.00 2.24 2.11 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 2.69 2.86 0.00 4 I 9.13 4.82 1.96 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 1.18 0.59 0.90 0.00 0.00 5 S 8.82 5.22 0.00 3.84 3.84 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 0.00 0.00 0.00 6 C 9.03 4.66 0.00 3.28 2.94 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 0.00 0.00 0.00 7 D 8.81 5.45 0.00 2.70 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 8 M 9.21 4.57 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 9 R 7.47 4.31 0.00 1.42 1.80 0.00 3.30 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.65 0.00 10 Y 8.08 4.43 0.00 3.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.79 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 12 R 7.30 3.91 0.00 1.48 1.70 0.00 2.70 0.00 0.00 2.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.59 0.00 13 T 9.11 4.28 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 14 D 8.63 4.37 0.00 2.73 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 15 E 8.12 3.99 0.00 1.97 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 2.32 1.98 0.00 16 Q 8.04 4.18 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 17 K 8.34 4.02 0.00 1.91 1.85 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.56 7.81 18 R 8.46 4.09 0.00 2.07 2.20 0.00 3.20 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.50 0.00 19 A 7.98 4.01 1.42 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 20 L 7.99 3.80 0.00 2.03 1.87 1.03 0.65 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 21 S 8.38 3.74 0.00 4.22 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 0.00 22 A 8.14 4.06 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 23 G 7.94 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.93 3.85 0.00 1.18 1.32 0.83 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.14 3.87 0.00 1.80 1.67 0.84 0.80 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 26 R 7.73 3.83 0.00 2.03 2.04 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 1.60 1.64 0.00 27 V 7.82 3.76 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 0.90 0.00 0.00 0.96 0.00 0.00 28 I 7.95 3.71 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.78 0.89 0.00 0.00 29 S 8.38 4.33 0.00 4.05 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.21 4.20 0.00 2.10 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 0.00 2.57 2.31 0.00 31 A 7.75 4.23 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 32 T 8.13 4.38 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 1.24 0.00 0.00 33 G 8.69 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.63 4.11 0.00 2.03 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 2.32 2.30 0.00 35 P 0.00 4.48 0.00 2.27 2.16 0.00 3.77 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 2.08 1.96 0.00 36 R 8.54 3.95 0.00 1.76 2.00 0.00 3.25 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.24 0.00 37 E 8.23 4.17 0.00 1.97 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 2.33 2.29 0.00 38 N 8.17 4.97 0.00 2.70 2.82 0.00 0.00 6.77 7.75 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 39 I 7.60 4.85 1.90 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 0.81 0.92 0.00 0.00 40 F 9.35 5.17 0.00 3.13 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 41 F 7.64 5.38 0.00 2.69 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 42 V 8.44 3.92 1.88 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 0.80 0.00 0.00 0.86 0.00 0.00 43 I 7.81 4.51 1.64 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 -0.32 0.83 0.00 0.00 44 R 9.07 4.63 0.00 1.80 1.84 0.00 3.29 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 45 E 8.28 5.73 0.00 2.07 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 2.31 2.16 0.00 46 G 8.44 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 0.00 0.00 0.00 0.00 47 S 8.85 4.83 0.00 3.92 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 48 G 8.79 4.14 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 0.00 0.00 0.00 49 I 7.84 3.85 1.92 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.77 0.97 0.00 0.00 50 N 8.67 4.68 0.00 2.88 2.70 0.00 0.00 6.81 7.49 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 51 F 8.49 4.59 0.00 3.25 2.99 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 0.00 0.00 0.00 52 V 8.38 4.74 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 0.75 0.00 0.00 0.61 0.00 0.00 53 E 8.64 4.61 0.00 1.89 1.53 0.00 0.00 0.00 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 2.26 0.00 54 H 9.68 4.09 0.00 3.27 3.34 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 55 G 8.35 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 0.00 0.00 0.00 56 E 8.03 4.71 0.00 2.00 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 2.40 2.46 0.00 57 H 8.88 4.84 0.00 3.07 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.53 4.74 0.00 1.59 1.62 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.68 0.00 2.12 2.22 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 60 D 8.49 4.61 0.00 2.72 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 61 Y 8.60 4.13 0.00 2.80 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 62 V 7.17 3.64 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 0.67 0.00 0.00 0.84 0.00 0.00