NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 M 4.3413 8.3044 120.3434 54.9972 33.0734 174.5727 21 K 3.7744 8.5149 128.3547 54.5225 32.7968 174.6753 22 T 4.3644 8.7919 114.8159 60.8921 70.9339 172.4977 23 E 5.0267 6.9077 120.0349 54.9334 34.1523 175.2956 24 W 5.0745 9.1582 120.5255 54.4974 29.4687 174.7829 25 P 4.4298 0.0000 0.0000 65.2296 31.4932 179.0744 26 E 4.1878 8.1916 115.6408 58.1158 30.0279 177.4007 27 L 4.2836 8.1572 119.4615 55.6085 42.2561 176.9440 28 V 3.8889 7.3212 119.6998 64.2132 31.7092 176.2412 29 G 3.9924 9.1538 116.2674 45.3106 0.0000 173.7690 30 K 4.3531 7.8135 119.5773 55.1360 33.2939 176.5839 31 S 4.6389 8.3115 115.6749 58.4240 64.8404 175.6439 32 V 3.5635 8.4020 123.9522 65.1231 30.9307 178.7089 33 E 3.8923 8.0318 118.6527 59.2508 29.3687 178.7172 34 E 3.8830 8.2364 119.1514 58.9958 29.5990 178.4740 35 A 3.8774 8.1107 120.9834 55.2236 18.4482 179.6738 36 K 3.7047 8.0064 116.8078 59.3882 32.2214 179.4588 37 K 3.8551 7.8866 119.7078 59.4587 32.2369 179.0006 38 V 3.5717 7.8447 118.5394 66.1591 31.4628 178.0362 39 I 3.1645 7.6769 119.7734 64.1685 36.6933 178.3877 40 L 4.3596 7.9580 119.3279 57.2571 41.1551 179.5030 41 Q 4.0257 7.6045 117.5131 58.9115 28.7580 177.7328 42 D 4.7614 8.0033 118.7805 55.7461 42.5496 177.0362 43 K 4.6876 8.5110 120.3090 53.7665 32.4345 174.3739 44 P 4.3886 0.0000 0.0000 64.2511 31.8329 177.3330 45 A 4.3331 7.8881 118.0305 51.8338 18.9238 176.8783 46 A 4.1954 7.8050 119.3036 52.9171 19.3399 178.0350 47 Q 4.3373 9.2139 121.7530 54.7075 29.8828 174.6287 48 I 4.7906 8.0877 125.2065 59.8039 38.9884 175.3863 49 I 4.5045 8.1978 125.6198 59.0835 41.4230 173.8201 50 V 4.6590 8.2848 128.2574 61.2472 33.0096 174.5923 51 L 4.9187 8.4048 126.7013 52.0437 46.2917 174.0691 52 P 4.9805 0.0000 0.0000 62.2737 31.8858 177.0841 53 V 3.7300 8.7141 124.5218 62.6302 32.1493 176.2704 54 G 3.8137 8.7037 109.5848 46.4045 0.0000 173.2365 55 T 4.5519 7.6641 108.7497 59.6434 71.2430 173.1965 56 I 4.4443 7.9903 121.9088 59.7757 38.8433 175.7342 57 V 4.6526 7.9165 116.3517 59.1234 35.6341 175.4549 58 T 4.0813 8.4421 111.1600 62.6835 68.8748 173.9473 59 M 4.6998 8.3448 121.9204 55.0890 32.7925 176.2607 60 E 4.3572 8.1281 115.8058 55.8114 31.0844 174.8234 61 Y 4.7325 8.4529 120.4152 55.8658 40.5986 175.0607 62 R 4.4168 8.1842 126.8639 54.0640 32.1203 176.5722 63 I 3.5546 8.3022 124.1599 63.1182 38.3971 176.1229 64 D 4.5720 7.9161 118.3060 53.8288 40.3551 175.4162 65 R 4.8972 7.6312 121.6840 54.9755 32.5898 175.2078 66 V 4.7695 8.3846 124.4890 61.0066 34.2173 174.1613 67 A 4.5384 8.6496 130.2450 51.3684 19.7418 176.1607 68 L 4.4954 8.6840 122.2615 52.9289 44.4061 175.6572 69 F 4.9843 8.7283 123.5167 56.4504 40.4198 175.4132 70 V 5.0453 8.7092 117.8811 59.4168 35.0451 176.0849 71 D 4.9121 8.7222 123.6751 52.3324 40.7272 177.1432 72 R 4.1035 8.4376 114.4168 58.1583 29.4573 176.9898 73 L 4.3897 8.0018 117.8043 54.2262 42.1591 176.0218 74 D 4.4843 8.0486 118.1955 55.5191 38.7622 173.1712 75 N 5.3066 7.9989 114.9446 51.2828 40.8780 174.7288 76 I 4.1616 8.6949 122.5182 61.7058 37.5378 176.6972 77 A 4.7564 8.9254 126.4178 51.7543 19.9389 175.4771 78 Q 4.5520 7.7027 115.5391 54.0951 32.1380 174.0586 79 V 3.8242 8.3746 123.6050 62.5999 32.0754 173.9708 80 P 4.7992 0.0000 0.0000 62.8823 32.4102 175.5874 81 R 5.4789 8.5168 118.6047 54.5227 32.7936 174.7931 82 V 3.9695 8.7493 120.7786 63.0605 32.5787 176.3470 83 G 2.8902 8.3104 114.3522 45.0176 0.0000 173.1915 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 20 M 8.30 4.34 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 21 K 8.51 3.77 0.00 1.68 1.49 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.40 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.30 0.99 7.81 22 T 8.79 4.36 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 1.24 0.00 0.00 23 E 6.91 5.03 0.00 1.77 1.81 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 2.14 2.21 0.00 24 W 9.16 5.07 0.00 3.36 2.98 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 0.00 0.00 0.00 25 P 0.00 4.43 0.00 2.24 2.34 0.00 3.75 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.95 0.00 26 E 8.19 4.19 0.00 2.15 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 0.00 2.38 2.35 0.00 27 L 8.16 4.28 0.00 1.98 1.77 0.78 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.32 3.89 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 0.82 0.00 0.00 1.06 0.00 0.00 29 G 9.15 3.99 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 0.00 0.00 0.00 30 K 7.81 4.35 0.00 1.91 1.74 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.53 7.81 31 S 8.31 4.64 0.00 4.25 3.99 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 32 V 8.40 3.56 2.15 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 0.84 0.00 0.00 0.87 0.00 0.00 33 E 8.03 3.89 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 2.38 2.40 0.00 34 E 8.24 3.88 0.00 2.04 1.92 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 2.29 2.31 0.00 35 A 8.11 3.88 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.01 3.70 0.00 1.88 1.79 0.00 1.61 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.54 7.81 37 K 7.89 3.86 0.00 1.81 1.92 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.42 7.81 38 V 7.84 3.57 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 1.05 0.00 0.00 0.96 0.00 0.00 39 I 7.68 3.16 1.53 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.39 0.00 0.00 40 L 7.96 4.36 0.00 1.69 1.67 0.86 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.60 4.03 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.01 0.00 0.00 0.00 0.00 0.00 2.40 2.67 0.00 42 D 8.00 4.76 0.00 3.20 3.04 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 43 K 8.51 4.69 0.00 1.90 1.81 0.00 1.88 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.48 7.81 44 P 0.00 4.39 0.00 2.08 2.11 0.00 3.80 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 2.04 2.15 0.00 45 A 7.89 4.33 1.27 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 0.00 0.00 0.00 46 A 7.80 4.20 1.25 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 0.00 0.00 0.00 47 Q 9.21 4.34 0.00 1.89 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.53 0.00 48 I 8.09 4.79 1.77 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.41 0.78 0.00 0.00 49 I 8.20 4.50 1.79 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 0.99 1.04 0.77 0.00 0.00 50 V 8.28 4.66 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 0.83 0.00 0.00 0.83 0.00 0.00 51 L 8.40 4.92 0.00 1.12 1.50 0.86 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.98 0.00 2.00 2.02 0.00 3.75 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 2.10 0.00 53 V 8.71 3.73 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 0.72 0.00 0.00 0.93 0.00 0.00 54 G 8.70 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 55 T 7.66 4.55 4.30 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 1.29 0.00 0.00 56 I 7.99 4.44 1.88 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 1.40 0.62 0.92 0.00 0.00 57 V 7.92 4.65 2.21 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 1.01 0.00 0.00 1.04 0.00 0.00 58 T 8.44 4.08 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 59 M 8.34 4.70 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.62 0.00 60 E 8.13 4.36 0.00 2.13 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 2.29 2.26 0.00 61 Y 8.45 4.73 0.00 2.91 2.92 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 62 R 8.18 4.42 0.00 1.69 1.85 0.00 3.32 0.00 0.00 3.08 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 63 I 8.30 3.55 1.90 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.79 0.91 0.00 0.00 64 D 7.92 4.57 0.00 2.84 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 65 R 7.63 4.90 0.00 1.87 1.85 0.00 2.98 0.00 0.00 3.05 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 66 V 8.38 4.77 1.90 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 0.75 0.00 0.00 0.90 0.00 0.00 67 A 8.65 4.54 0.98 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 0.00 0.00 0.00 0.00 0.00 68 L 8.68 4.50 0.00 1.37 1.47 0.79 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 69 F 8.73 4.98 0.00 3.04 3.01 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 0.00 0.00 0.00 70 V 8.71 5.05 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 0.76 0.00 0.00 1.03 0.00 0.00 71 D 8.72 4.91 0.00 2.92 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 72 R 8.44 4.10 0.00 1.95 2.11 0.00 3.02 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 73 L 8.00 4.39 0.00 1.80 1.74 0.93 1.11 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 74 D 8.05 4.48 0.00 2.97 2.77 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 0.00 0.00 0.00 75 N 8.00 5.31 0.00 3.04 2.72 0.00 0.00 7.02 7.33 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 76 I 8.69 4.16 2.07 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 1.41 0.98 0.98 0.00 0.00 77 A 8.93 4.76 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 7.70 4.55 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 79 V 8.37 3.82 2.15 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 0.96 0.00 0.00 0.98 0.00 0.00 80 P 0.00 4.80 0.00 2.32 1.95 0.00 4.02 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 81 R 8.52 5.48 0.00 1.98 1.98 0.00 3.19 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 82 V 8.75 3.97 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 0.73 0.00 0.00 1.18 0.00 0.00 83 G 8.31 2.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00