NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 45 G 3.9031 8.3393 109.7306 45.7883 0.0000 174.9877 46 L 4.0217 8.4317 124.2592 55.4521 40.9555 174.5910 47 I 4.6618 7.9350 121.6802 59.3957 40.1554 176.7637 48 L 4.2149 8.5435 125.1360 53.7278 42.0244 176.5129 49 P 4.3580 0.0000 0.0000 64.7958 31.2854 176.6496 50 N 4.6329 8.1697 115.4819 52.4318 37.5067 175.9305 51 G 3.7671 8.1486 107.5250 45.6610 0.0000 173.4640 52 N 4.9753 7.5610 117.6909 51.8846 40.5842 173.0220 53 I 4.0322 7.5923 119.7761 59.8859 38.6544 176.7651 54 N 4.4490 7.8615 124.1225 52.5275 37.4932 176.3239 55 W 5.0879 7.2288 123.7500 55.9233 27.9015 176.1194 56 N 5.0256 7.6756 112.6322 54.3224 44.3556 174.2114 57 C 4.2292 7.7482 115.4863 59.1043 28.6519 172.0889 58 P 4.2260 0.0000 0.0000 66.9733 31.2769 178.3464 59 C 4.1046 8.0795 116.5789 61.8593 28.1204 175.9254 60 L 4.2448 7.9489 121.6272 58.1117 41.6043 179.0067 61 G 3.8629 8.4791 105.3708 47.5329 0.0000 175.7532 62 G 3.6750 8.3119 108.1785 48.0378 0.0000 175.8375 63 M 3.6264 7.6744 119.5343 57.2304 31.9529 177.3058 64 A 3.8678 7.2757 119.7617 52.7300 18.8360 176.9402 65 S 4.2729 8.7658 111.2908 58.7403 62.5273 173.1856 66 G 4.1090 8.2928 113.9257 42.2213 0.0000 171.7570 67 P 4.1956 0.0000 0.0000 66.3100 31.3797 179.4064 68 C 4.5273 8.5087 116.4208 58.6696 39.8258 175.9482 69 G 3.4269 7.6953 107.6719 47.6086 0.0000 175.4972 70 E 3.8584 8.0396 119.3077 59.2177 29.5774 179.3929 71 Q 3.9095 7.9333 118.6376 58.5072 29.0140 177.6683 72 F 3.9641 8.1368 121.7118 61.3902 39.2827 177.3522 73 K 3.7100 8.1834 118.0748 59.4934 31.7938 179.3086 74 S 4.0354 8.1410 113.1359 61.1473 62.2695 176.0759 75 A 3.6630 8.2223 123.8531 55.1101 17.9592 179.7268 76 F 4.1392 8.1301 116.5876 60.6166 39.0098 178.2342 77 S 4.2568 8.6595 114.3116 61.4909 62.7667 175.5473 78 C 4.1963 8.2402 122.3023 59.3431 37.7057 175.4109 79 F 4.2615 8.4379 121.9774 61.5910 38.8393 176.2960 80 H 3.8944 8.4621 116.7685 59.7746 29.8998 176.5565 81 Y 4.0595 8.4094 117.5446 60.2248 37.5781 177.7008 82 S 4.2657 8.1175 114.3114 58.8234 62.3275 174.5994 83 T 3.3486 7.3749 107.5775 62.0321 68.5990 172.5726 84 E 4.0325 7.9205 121.5517 59.2527 28.9110 176.6769 85 E 5.4928 7.4195 122.0821 56.6761 27.7624 176.6697 86 I 3.7864 7.2592 118.5683 60.6248 38.1955 174.5189 87 K 2.0000 8.1854 125.4574 57.3622 31.4770 176.3858 88 G 3.1827 7.2363 111.4451 45.1530 0.0000 173.5715 89 S 3.9384 7.9818 116.0648 60.8542 62.1609 175.1473 90 D 4.8904 8.1333 114.8057 53.3268 39.7910 176.8073 91 C 4.9139 8.2692 116.6487 56.8579 40.8412 175.5186 92 V 3.5494 7.9662 121.3000 66.5715 30.7414 177.1396 93 D 4.3621 8.2722 116.8811 57.6859 40.9872 178.2075 94 Q 3.9693 8.4104 118.2912 58.5195 28.6974 178.4547 95 F 4.0454 8.2957 118.7267 60.1305 39.0353 177.6180 96 R 3.9136 8.5335 118.6108 59.2544 29.8932 178.3228 97 A 3.9433 8.2632 120.8543 55.4652 18.4308 179.0163 98 M 3.9357 8.0580 116.6326 58.9493 32.1179 178.1651 99 Q 3.9850 8.1797 119.5869 59.2974 29.4677 178.0620 100 E 3.9352 8.4142 118.8303 59.3974 29.4909 178.2270 101 C 4.1473 8.3172 119.3468 59.8703 43.6390 175.3558 102 M 4.2593 7.9841 118.2491 57.3502 31.8363 178.2534 103 Q 4.1736 8.3333 117.4755 58.4217 28.9734 177.8037 104 K 4.4207 7.5197 118.4508 57.1949 33.2202 176.7673 105 Y 4.7474 7.7683 117.6740 54.9653 37.8699 173.7247 106 P 4.2037 0.0000 0.0000 63.4351 30.8588 177.0264 107 D 4.8593 8.4118 115.4274 53.1487 42.3976 177.7004 108 L 3.7285 7.2862 119.4271 57.1881 40.7482 176.6239 109 Y 4.3489 6.2884 122.1771 58.6802 37.7526 176.0409 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 45 G 8.34 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 0.00 0.00 0.00 46 L 8.43 4.02 0.00 1.77 1.85 0.88 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 47 I 7.94 4.66 1.79 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.68 0.95 0.00 0.00 48 L 8.54 4.21 0.00 1.73 1.65 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.36 0.00 2.16 2.16 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 50 N 8.17 4.63 0.00 2.85 2.95 0.00 0.00 6.23 7.04 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 51 G 8.15 3.77 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 0.00 0.00 0.00 52 N 7.56 4.98 0.00 2.94 2.76 0.00 0.00 7.74 8.18 0.00 0.00 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 I 7.59 4.03 0.56 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.73 -0.39 0.00 0.00 54 N 7.86 4.45 0.00 2.73 2.57 0.00 0.00 7.05 7.29 0.00 0.00 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 W 7.23 5.09 0.00 3.31 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.68 5.03 0.00 2.69 2.79 0.00 0.00 7.36 7.68 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 57 C 7.75 4.23 0.00 3.08 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 58 P 0.00 4.23 0.00 2.21 2.29 0.00 3.70 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 2.09 2.02 0.00 59 C 8.08 4.10 0.00 3.02 3.05 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 0.00 0.00 0.00 60 L 7.95 4.24 0.00 1.78 1.69 0.69 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.48 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 62 G 8.31 3.68 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 0.00 0.00 0.00 63 M 7.67 3.63 0.00 0.51 1.43 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.20 0.00 64 A 7.28 3.87 0.90 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 0.00 0.00 65 S 8.77 4.27 0.00 3.93 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 66 G 8.29 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.20 0.00 2.50 2.42 0.00 3.67 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 2.46 2.21 0.00 68 C 8.51 4.53 0.00 3.04 3.24 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 69 G 7.70 3.43 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 0.00 0.00 0.00 70 E 8.04 3.86 0.00 2.17 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 0.00 2.43 2.31 0.00 71 Q 7.93 3.91 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.87 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 72 F 8.14 3.96 0.00 3.10 3.12 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 0.00 0.00 0.00 73 K 8.18 3.71 0.00 1.73 1.55 0.00 0.63 0.00 0.00 0.61 0.00 0.00 2.52 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.30 0.88 7.81 74 S 8.14 4.04 0.00 3.98 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 75 A 8.22 3.66 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.13 4.14 0.00 3.26 3.27 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 77 S 8.66 4.26 0.00 3.75 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 0.00 78 C 8.24 4.20 0.00 3.15 3.45 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 79 F 8.44 4.26 0.00 3.34 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 80 H 8.46 3.89 0.00 3.33 3.76 0.00 6.00 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 8.41 4.06 0.00 3.05 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 82 S 8.12 4.27 0.00 4.04 4.03 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 0.00 0.00 0.00 0.00 83 T 7.37 3.35 4.16 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 84 E 7.92 4.03 0.00 1.99 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 2.52 2.47 0.00 85 E 7.42 5.49 0.00 2.10 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 2.13 2.08 0.00 86 I 7.26 3.79 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.62 0.76 0.00 0.00 87 K 8.19 2.00 0.00 1.24 1.13 0.00 1.46 0.00 0.00 1.08 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.14 1.18 7.81 88 G 7.24 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.98 3.94 0.00 3.99 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 90 D 8.13 4.89 0.00 2.82 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 91 C 8.27 4.91 0.00 3.39 3.38 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 92 V 7.97 3.55 2.11 0.00 0.00 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 0.00 0.00 0.92 0.00 0.00 93 D 8.27 4.36 0.00 2.86 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 8.41 3.97 0.00 2.27 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.64 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 95 F 8.30 4.05 0.00 3.26 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 96 R 8.53 3.91 0.00 2.03 2.07 0.00 3.12 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 97 A 8.26 3.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 M 8.06 3.94 0.00 2.27 2.11 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.66 0.00 99 Q 8.18 3.99 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.59 0.00 0.00 0.00 0.00 0.00 2.50 2.40 0.00 100 E 8.41 3.94 0.00 2.19 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 0.00 2.37 2.27 0.00 101 C 8.32 4.15 0.00 3.10 3.28 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 0.00 102 M 7.98 4.26 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.71 0.00 103 Q 8.33 4.17 0.00 2.20 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.92 0.00 0.00 0.00 0.00 0.00 2.63 2.39 0.00 104 K 7.52 4.42 0.00 1.73 1.77 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.53 7.81 105 Y 7.77 4.75 0.00 3.05 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 P 0.00 4.20 0.00 2.15 1.94 0.00 3.69 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 1.91 1.96 0.00 107 D 8.41 4.86 0.00 2.64 2.64 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 0.00 108 L 7.29 3.73 0.00 1.52 1.56 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 109 Y 6.29 4.35 0.00 2.80 2.82 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