NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3186 8.3044 120.3470 55.2897 33.5515 174.5982 2 L 4.4296 8.1920 126.5137 52.5737 45.0163 172.8620 3 L 5.2463 9.3213 129.2849 53.1709 45.6528 174.8021 4 L 4.9957 9.2552 126.0765 52.7851 44.8369 175.4844 5 R 5.1141 8.5473 119.0820 54.4382 31.8505 174.3849 6 I 4.3687 8.8492 125.1496 59.8073 39.8222 173.9343 7 T 5.2725 8.5850 123.7347 60.5781 69.6352 172.6345 8 M 4.7390 9.0551 124.6556 53.4465 35.3217 174.0333 9 L 4.5161 8.0691 119.9357 54.9156 42.1430 177.0173 10 E 3.9193 8.7524 123.7384 57.7622 29.9988 177.1100 11 G 3.8229 8.8967 108.3569 45.6958 0.0000 174.5710 12 R 4.3700 7.6412 118.8645 54.9760 31.6262 176.8574 13 S 4.3872 8.2413 114.8289 58.2153 65.3330 175.1409 14 T 3.8495 8.5272 120.3866 67.3373 68.2371 176.1916 15 E 3.9820 8.0857 120.2363 59.0540 29.7866 178.4430 16 Q 3.9935 8.2228 118.2872 59.1018 28.8320 179.2141 17 K 3.9899 8.2320 119.1232 59.3963 32.0928 179.3679 18 A 3.9998 8.1128 121.1226 55.0582 18.2798 179.2743 19 E 3.9698 8.2790 117.8932 59.0658 29.6853 178.9445 20 L 4.0120 8.0673 119.1054 57.6377 41.7284 179.3185 21 A 4.0194 8.0989 121.0724 54.9577 18.3015 179.9403 22 R 3.8671 8.1704 114.4775 59.3749 29.7109 178.8235 23 A 3.9784 8.4769 122.1551 54.8261 18.3680 179.6433 24 L 3.9764 8.0156 117.4614 57.7011 41.7227 179.8004 25 S 4.1231 8.0606 114.8544 61.6315 62.8326 176.5851 26 A 3.9830 8.1705 123.1672 55.2012 18.0923 179.5450 27 A 3.9106 8.3668 119.3000 55.1277 18.3227 179.7222 28 A 3.8737 8.2481 119.2031 54.7841 18.5378 179.5052 29 A 4.0287 8.1568 119.2159 55.4026 17.9774 179.7436 30 A 3.8464 7.9301 118.6993 55.3222 18.3056 179.6869 31 A 3.7643 7.7053 117.8528 54.6783 18.4812 178.9495 32 F 4.7818 7.8013 112.7218 56.2576 40.2104 175.4121 33 D 4.4416 7.7160 116.5290 55.9414 38.6350 173.8519 34 V 4.5671 7.3931 109.6126 58.5137 35.2273 174.7907 35 P 4.3553 0.0000 0.0000 62.3461 32.0458 177.0722 36 L 3.8814 8.9379 124.5756 58.3395 41.9566 179.0046 37 A 3.9743 8.0536 119.3346 54.8932 18.2779 177.7492 38 E 4.2748 8.2893 113.7179 57.0194 30.0428 176.5568 39 V 4.1320 7.7834 120.8036 62.5722 32.3258 175.3303 40 R 4.7715 8.6899 126.8555 54.3659 32.7885 174.8598 41 L 5.3144 8.4477 123.9124 53.3772 45.2302 175.2645 42 I 4.6085 9.0273 126.6367 59.5793 40.0996 174.3829 43 I 4.9260 8.3845 126.6275 59.6662 39.4497 174.9506 44 Q 4.6836 9.0993 125.2626 54.1933 31.9704 174.4402 45 E 5.2227 8.8961 122.7619 54.8627 32.1534 175.4959 46 V 4.6771 8.4756 121.5993 60.3285 35.2163 173.5779 47 P 4.7215 0.0000 0.0000 61.5906 32.0208 175.3070 48 P 4.2602 0.0000 0.0000 66.1285 30.9885 178.1664 49 T 4.2252 7.9047 106.9670 63.4436 69.1713 174.6309 50 H 4.8336 8.3984 118.6850 55.0570 29.3372 173.9606 51 W 4.7063 8.0610 129.4519 55.6509 32.6983 174.2656 52 T 5.1822 8.0318 121.5244 61.6972 71.4346 173.4953 53 V 4.3352 8.3259 124.4064 62.2505 34.3332 175.5193 54 G 3.8399 10.0550 114.6902 46.4627 0.0000 174.4147 55 G 3.9186 8.5819 108.2352 44.5480 0.0000 173.8513 56 I 4.3776 7.4890 120.9393 58.5722 39.4333 175.1953 57 S 4.8806 8.5623 122.2019 58.5942 63.3823 174.4123 58 M 4.1960 8.6504 121.6732 58.3844 31.9301 178.1922 59 A 4.1490 8.0022 120.8041 55.0537 19.0241 178.3618 60 E 4.3395 8.0852 115.2199 58.1312 26.8570 177.0517 61 L 4.0580 6.9015 121.8678 54.5825 41.0727 177.5629 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 M 8.30 4.32 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 2 L 8.19 4.43 0.00 1.85 1.50 0.91 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 3 L 9.32 5.25 0.00 1.64 1.46 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 4 L 9.26 5.00 0.00 1.63 1.55 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.55 5.11 0.00 1.78 1.90 0.00 3.04 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 6 I 8.85 4.37 1.90 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 1.13 1.50 0.93 0.00 0.00 7 T 8.58 5.27 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 8 M 9.06 4.74 0.00 2.05 1.97 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 2.43 2.51 0.00 9 L 8.07 4.52 0.00 1.26 1.53 0.76 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.75 3.92 0.00 1.92 1.91 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 2.35 2.31 0.00 11 G 8.90 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 7.64 4.37 0.00 1.78 1.84 0.00 3.33 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 13 S 8.24 4.39 0.00 4.04 3.97 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 14 T 8.53 3.85 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 1.21 0.00 0.00 15 E 8.09 3.98 0.00 2.03 1.93 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 2.37 2.39 0.00 16 Q 8.22 3.99 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 17 K 8.23 3.99 0.00 1.80 1.85 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.44 7.81 18 A 8.11 4.00 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 19 E 8.28 3.97 0.00 2.10 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 0.00 2.30 2.38 0.00 20 L 8.07 4.01 0.00 2.10 1.70 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.10 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 22 R 8.17 3.87 0.00 2.07 2.19 0.00 2.78 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.78 0.00 23 A 8.48 3.98 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 24 L 8.02 3.98 0.00 1.98 1.74 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.06 4.12 0.00 4.09 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 26 A 8.17 3.98 1.35 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 27 A 8.37 3.91 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.25 3.87 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.16 4.03 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.93 3.85 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 31 A 7.71 3.76 0.71 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 0.00 0.00 32 F 7.80 4.78 0.00 3.19 3.07 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 33 D 7.72 4.44 0.00 2.90 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 34 V 7.39 4.57 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 0.84 0.00 0.00 0.98 0.00 0.00 35 P 0.00 4.36 0.00 2.19 1.98 0.00 3.64 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 2.12 2.08 0.00 36 L 8.94 3.88 0.00 1.72 1.70 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.05 3.97 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.29 4.27 0.00 2.05 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 0.00 2.32 2.39 0.00 39 V 7.78 4.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 1.00 0.00 0.00 40 R 8.69 4.77 0.00 1.87 1.80 0.00 3.17 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 41 L 8.45 5.31 0.00 1.62 1.50 0.94 1.00 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 42 I 9.03 4.61 1.89 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 1.24 0.55 0.93 0.00 0.00 43 I 8.38 4.93 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 1.36 0.59 0.92 0.00 0.00 44 Q 9.10 4.68 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.48 0.00 45 E 8.90 5.22 0.00 1.85 1.86 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 2.23 2.29 0.00 46 V 8.48 4.68 2.32 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 1.34 0.00 0.00 1.08 0.00 0.00 47 P 0.00 4.72 0.00 2.18 2.11 0.00 3.76 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 48 P 0.00 4.26 0.00 2.26 2.38 0.00 3.68 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 49 T 7.90 4.23 4.32 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 1.24 0.00 0.00 50 H 8.40 4.83 0.00 3.34 3.41 0.00 5.79 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 W 8.06 4.71 0.00 3.47 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 52 T 8.03 5.18 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 53 V 8.33 4.34 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 1.04 0.00 0.00 1.15 0.00 0.00 54 G 10.06 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 0.00 0.00 0.00 55 G 8.58 3.92 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 0.00 0.00 0.00 56 I 7.49 4.38 1.89 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 1.44 1.01 0.00 0.00 57 S 8.56 4.88 0.00 4.31 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 58 M 8.65 4.20 0.00 2.06 2.39 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.99 0.00 59 A 8.00 4.15 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.09 4.34 0.00 2.25 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 2.36 2.41 0.00 61 L 6.90 4.06 0.00 1.79 1.66 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00