NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.4460 8.3033 120.1774 56.4327 31.5857 174.2554 4 Y 4.7358 8.0762 120.6935 55.6922 41.8294 169.4908 5 V 4.8799 8.8004 115.2620 59.5095 36.5383 173.6700 6 E 5.1308 9.2752 122.6829 54.1797 32.6147 174.8936 7 A 4.4876 9.0953 129.5752 52.2926 18.9952 177.7613 8 L 4.5311 9.1269 121.9101 55.2183 43.3436 176.4105 9 Y 4.9583 7.7239 114.1068 55.9404 42.3388 174.8068 10 Q 4.4368 9.0544 123.4665 56.0775 30.0475 174.9287 11 F 4.6758 8.9109 130.4808 56.7614 40.7800 174.3074 12 D 4.8021 8.3193 127.5462 52.3608 41.2629 175.0931 13 P 3.9565 0.0000 0.0000 62.6778 32.0095 176.1866 14 Q 4.4994 8.7247 117.0052 55.1241 31.3415 175.2423 15 Q 4.5975 8.2980 118.7427 53.4489 31.9404 174.0852 16 D 4.5845 8.6713 123.7064 56.5287 41.3195 177.2531 17 G 4.0221 9.0539 111.6682 45.0056 0.0000 172.7188 18 D 5.1072 7.7642 119.6402 54.1209 41.8555 176.1272 19 L 4.5598 9.1390 125.9289 53.2666 42.5290 176.3806 20 G 3.8602 8.7099 113.9018 46.4968 0.0000 171.4355 21 L 5.1420 8.8327 121.0372 52.6793 46.2821 175.7129 22 K 4.9482 9.3122 121.9119 53.5871 35.7267 174.1866 23 P 4.5903 0.0000 0.0000 64.4236 31.6797 176.6611 24 G 4.0690 9.1358 111.7577 44.7939 0.0000 173.7303 25 D 4.4969 8.1102 120.8430 54.4793 41.7891 175.5336 26 K 5.0250 8.6719 122.8834 54.9865 33.9972 175.9773 27 V 4.5253 8.7058 124.8092 60.8277 34.7950 174.1644 28 Q 3.0689 8.8833 130.1099 55.3565 29.9582 174.4214 29 L 4.4790 8.3453 130.4209 54.8310 41.9336 176.0605 30 L 4.3461 8.7849 127.4911 56.8302 42.8406 177.2342 31 E 4.5295 7.6885 117.7393 54.8822 33.3210 174.6933 32 K 4.3417 8.4367 126.4586 54.9609 31.5550 176.5362 33 L 4.1391 8.5890 125.4035 57.5216 41.6917 177.2757 34 S 4.6198 8.0469 110.9601 56.8540 65.8446 173.5355 35 P 4.1896 0.0000 0.0000 64.9130 31.2017 177.3332 36 E 4.2603 8.3592 116.5591 55.8859 31.3446 175.4686 37 W 5.0351 7.7220 118.4440 54.8941 32.9071 174.2660 38 Y 5.2468 8.2246 121.5853 56.1013 40.9516 174.3268 39 K 4.9768 8.6670 123.1581 55.0728 34.8711 175.4909 40 G 4.8136 9.2092 113.5389 45.7434 0.0000 171.4212 41 S 5.4803 8.8360 113.4468 56.8076 66.7249 173.1382 42 C 4.7712 9.2315 122.2085 58.8468 35.1495 173.6434 43 N 4.3575 10.0925 124.4425 54.3969 35.8035 175.3480 44 G 4.0022 8.5584 105.3855 45.3037 0.0000 174.0622 45 R 4.6336 7.7922 119.1017 54.7826 31.8670 175.4143 46 T 5.0299 7.9486 117.3764 61.8221 71.8676 174.0390 47 G 4.2637 8.1412 110.8368 46.4633 0.0000 171.8318 48 I 5.4517 8.1480 113.4908 59.5293 40.8774 174.7151 49 F 5.0222 8.5427 116.9671 55.0764 41.7731 171.9154 50 P 3.5698 0.0000 0.0000 61.7475 31.7864 177.7488 51 A 3.2378 7.7506 125.8192 54.7425 18.2346 178.7906 52 N 4.6256 7.6212 110.4530 53.8754 37.8984 175.4466 53 Y 4.2872 8.0013 117.0315 59.7625 38.3846 175.1022 54 V 5.2123 7.5418 112.2518 59.2617 35.8690 174.6010 55 K 4.8309 8.8718 120.6014 54.1552 36.3001 173.8360 56 P 4.5954 0.0000 0.0000 63.3808 31.5176 174.9017 57 A 4.7673 8.4786 122.0254 52.2187 20.8172 176.0470 58 F 4.5476 7.8603 113.6652 57.5560 37.6819 173.4093 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 8.30 4.45 0.00 1.83 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 2.29 2.32 0.00 4 Y 8.08 4.74 0.00 1.43 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 0.00 0.00 0.00 0.00 5 V 8.80 4.88 2.28 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 0.81 0.00 0.00 1.10 0.00 0.00 6 E 9.28 5.13 0.00 1.98 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 2.17 2.23 0.00 7 A 9.10 4.49 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 8 L 9.13 4.53 0.00 1.09 0.57 0.84 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 7.72 4.96 0.00 2.86 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 10 Q 9.05 4.44 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.84 0.00 0.00 0.00 0.00 0.00 2.48 2.59 0.00 11 F 8.91 4.68 0.00 1.92 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 12 D 8.32 4.80 0.00 2.47 2.47 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 13 P 0.00 3.96 0.00 2.08 1.90 0.00 3.50 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.88 0.00 14 Q 8.72 4.50 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.24 0.00 15 Q 8.30 4.60 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.91 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 16 D 8.67 4.58 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 17 G 9.05 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 0.00 0.00 0.00 18 D 7.76 5.11 0.00 2.75 2.85 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 19 L 9.14 4.56 0.00 1.77 1.94 1.03 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.71 3.86 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 0.00 0.00 0.00 21 L 8.83 5.14 0.00 1.64 1.50 0.64 0.18 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 9.31 4.95 0.00 1.65 1.68 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.38 7.81 23 P 0.00 4.59 0.00 2.02 2.09 0.00 3.66 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 24 G 9.14 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.11 4.50 0.00 2.68 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.67 5.02 0.00 1.74 1.88 0.00 1.89 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.64 7.81 27 V 8.71 4.53 1.97 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 0.87 0.00 0.00 0.72 0.00 0.00 28 Q 8.88 3.07 0.00 1.63 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.73 0.00 0.00 0.00 0.00 0.00 2.05 1.59 0.00 29 L 8.35 4.48 0.00 1.54 1.56 0.68 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.78 4.35 0.00 1.66 1.67 0.89 1.10 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 31 E 7.69 4.53 0.00 1.96 1.69 0.00 0.00 0.00 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 2.30 0.00 32 K 8.44 4.34 0.00 1.66 1.71 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.30 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.30 1.05 7.81 33 L 8.59 4.14 0.00 1.93 1.77 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.05 4.62 0.00 4.06 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 35 P 0.00 4.19 0.00 2.05 2.17 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 2.14 0.00 36 E 8.36 4.26 0.00 2.07 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 2.12 2.21 0.00 37 W 7.72 5.04 0.00 3.03 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 38 Y 8.22 5.25 0.00 1.55 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 0.00 0.00 0.00 0.00 39 K 8.67 4.98 0.00 1.82 1.64 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.40 7.81 40 G 9.21 4.81 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 41 S 8.84 5.48 0.00 3.95 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 42 C 9.23 4.77 0.00 2.93 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 43 N 10.09 4.36 0.00 2.89 2.87 0.00 0.00 7.28 7.65 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 44 G 8.56 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.79 4.63 0.00 2.04 1.87 0.00 3.08 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 46 T 7.95 5.03 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 47 G 8.14 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 5.45 2.08 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.31 0.93 0.00 0.00 49 F 8.54 5.02 0.00 2.73 3.33 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 50 P 0.00 3.57 0.00 2.08 1.02 0.00 2.23 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.55 0.00 51 A 7.75 3.24 0.17 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 0.00 0.00 0.00 0.00 0.00 0.00 52 N 7.62 4.63 0.00 2.66 2.75 0.00 0.00 6.07 7.55 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 53 Y 8.00 4.29 0.00 3.24 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.54 5.21 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 0.75 0.00 0.00 1.24 0.00 0.00 55 K 8.87 4.83 0.00 1.79 1.89 0.00 1.33 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.40 7.81 56 P 0.00 4.60 0.00 2.00 2.07 0.00 3.65 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 57 A 8.48 4.77 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 58 F 7.86 4.55 0.00 3.01 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