NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 M 4.3198 8.3044 120.3298 56.0272 33.5093 173.6554 20 K 4.0226 8.5087 124.6173 55.5766 32.8559 173.8043 21 L 5.1234 8.5848 126.6435 55.1007 43.3274 175.7356 22 A 4.9194 7.7193 116.7311 50.9189 19.6062 177.9411 23 S 4.6329 7.8794 113.8886 59.9859 63.4262 174.6719 24 F 4.3184 8.0843 125.7089 61.6892 39.2909 176.8065 25 L 3.9155 8.1146 120.5844 58.4117 41.3046 179.9812 26 K 4.1247 8.1806 123.0378 60.0642 31.4593 180.3148 27 D 4.6698 7.9062 118.7689 57.1118 40.6879 178.6160 28 F 4.1410 7.7607 121.4906 61.0155 39.4342 176.5748 29 D 4.1044 8.5772 118.1102 57.4650 40.7423 178.6612 30 R 3.7550 7.4463 117.3941 60.0510 30.1371 177.2315 31 E 3.6823 8.1565 118.0616 59.5031 29.3575 178.9169 32 V 3.2339 7.7615 117.4516 66.0363 31.8986 178.2375 33 E 3.8349 8.0176 118.7976 59.3243 29.3684 178.7792 34 I 3.6608 7.8127 120.0653 64.5780 36.9858 178.6191 35 R 4.0187 8.0079 117.5028 58.7690 30.0384 178.6691 36 I 3.9192 8.1619 123.1472 64.3500 37.3329 178.9282 37 K 4.0063 8.0805 124.1324 60.1153 31.6462 180.6985 38 Q 4.1475 7.8925 120.8665 59.0459 28.9581 178.1940 39 I 3.6587 7.8754 120.9699 64.5597 37.2638 178.1311 40 E 3.9186 8.2675 118.8285 59.5287 29.1625 179.6602 41 S 4.0264 7.9609 112.6957 61.7529 62.4618 175.2507 42 D 4.3416 7.8512 120.9305 57.7588 40.2658 178.7104 43 R 3.8538 8.3688 118.6217 60.0092 30.0149 178.7542 44 Q 4.0569 8.0816 117.3950 58.8195 28.7767 177.9023 45 N 4.2788 8.7142 117.8690 56.2772 38.6107 176.8556 46 L 4.1699 8.0802 123.1043 57.7599 42.1792 179.1130 47 L 4.0720 7.7123 119.7428 58.2025 41.4233 180.3749 48 K 3.9610 8.1293 123.6799 60.0013 31.1633 181.5428 49 E 4.1734 8.4733 120.4904 59.0799 29.3196 179.5707 50 V 3.7123 7.9744 118.3006 66.1352 31.5655 177.3268 51 D 4.3747 8.0377 118.3662 57.8131 40.8168 178.6802 52 N 4.2577 8.3466 116.4887 56.5938 38.6924 176.8545 53 L 3.9292 8.2199 121.3111 58.7190 42.1656 178.7018 54 Y 3.9249 8.2549 116.2931 61.1801 37.8556 178.4258 55 N 4.4156 8.6292 117.5983 56.1604 38.4637 177.6593 56 I 3.7103 7.8959 121.2919 64.5694 37.0698 178.3394 57 E 3.9339 7.9567 117.8701 59.2567 29.6126 179.4061 58 I 3.8269 8.4574 120.2497 64.3568 37.0467 178.0431 59 L 3.9611 7.7327 119.6396 58.4601 41.9454 179.0069 60 R 4.0153 8.1063 116.9778 58.0204 30.3520 177.5402 61 L 4.1277 7.1156 118.0234 54.0399 42.4320 175.9368 62 P 4.5401 0.0000 0.0000 61.6206 33.5247 177.3788 63 K 3.7640 8.6754 120.0848 60.2112 31.8042 178.8136 64 A 4.0770 7.9837 118.8791 54.9439 18.5671 179.3007 65 L 4.2197 7.8654 117.4305 57.9114 41.7716 179.4479 66 R 3.9410 7.7977 117.0172 60.0978 29.4529 179.1285 67 E 4.1336 7.9827 117.2053 58.9523 30.0966 178.7753 68 M 4.3653 7.2931 117.4541 55.6172 33.1285 175.9240 69 N 4.4351 8.9287 123.7669 53.7502 39.9316 175.4588 70 W 4.3867 9.1528 125.8863 60.0164 28.2840 177.9760 71 L 3.3970 6.8788 119.2721 57.2073 40.5007 179.1229 72 D 4.4050 7.9204 118.4443 57.4243 40.6478 177.7444 73 Y 3.8408 7.9325 119.1244 60.0220 39.8733 176.9059 74 F 4.3451 7.7260 121.4847 57.7512 38.3214 176.5799 75 A 3.9878 7.3847 126.6334 56.3957 16.9533 178.1049 76 L 3.1435 6.7555 125.0064 54.2957 41.5607 175.9261 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 19 M 8.30 4.32 0.00 2.03 2.08 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 2.51 2.54 0.00 20 K 8.51 4.02 0.00 2.11 1.84 0.00 1.60 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.56 7.81 21 L 8.58 5.12 0.00 1.61 1.61 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.72 4.92 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 23 S 7.88 4.63 0.00 4.21 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 24 F 8.08 4.32 0.00 3.09 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 25 L 8.11 3.92 0.00 1.81 1.73 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.18 4.12 0.00 1.76 1.84 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.12 7.81 27 D 7.91 4.67 0.00 2.83 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 28 F 7.76 4.14 0.00 2.71 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 29 D 8.58 4.10 0.00 2.66 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.45 3.76 0.00 2.10 1.91 0.00 3.32 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 31 E 8.16 3.68 0.00 2.04 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 2.17 2.30 0.00 32 V 7.76 3.23 1.78 0.00 0.00 0.00 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 0.05 0.00 0.00 33 E 8.02 3.83 0.00 2.13 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 2.26 2.30 0.00 34 I 7.81 3.66 1.98 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 1.49 0.97 0.88 0.00 0.00 35 R 8.01 4.02 0.00 1.82 1.93 0.00 3.14 0.00 0.00 3.18 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 36 I 8.16 3.92 1.96 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 1.59 0.84 0.88 0.00 0.00 37 K 8.08 4.01 0.00 1.79 1.84 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.37 7.81 38 Q 7.89 4.15 0.00 2.23 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 39 I 7.88 3.66 1.96 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 1.51 0.40 0.90 0.00 0.00 40 E 8.27 3.92 0.00 1.95 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 2.39 2.32 0.00 41 S 7.96 4.03 0.00 3.95 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 42 D 7.85 4.34 0.00 2.89 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 43 R 8.37 3.85 0.00 1.86 1.95 0.00 3.07 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 44 Q 8.08 4.06 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.53 0.00 0.00 0.00 0.00 0.00 2.70 2.53 0.00 45 N 8.71 4.28 0.00 2.89 2.88 0.00 0.00 6.67 6.96 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 46 L 8.08 4.17 0.00 1.87 1.84 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.71 4.07 0.00 1.89 1.69 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.13 3.96 0.00 1.77 1.82 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.36 7.81 49 E 8.47 4.17 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 50 V 7.97 3.71 2.23 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 0.98 0.00 0.00 1.04 0.00 0.00 51 D 8.04 4.37 0.00 2.89 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 52 N 8.35 4.26 0.00 3.01 2.91 0.00 0.00 6.76 6.65 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 53 L 8.22 3.93 0.00 1.88 1.99 0.84 1.22 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 54 Y 8.25 3.92 0.00 3.08 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 55 N 8.63 4.42 0.00 2.98 2.89 0.00 0.00 7.05 8.22 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 56 I 7.90 3.71 2.03 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 1.75 0.97 0.90 0.00 0.00 57 E 7.96 3.93 0.00 1.83 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 2.25 2.37 0.00 58 I 8.46 3.83 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.28 0.91 0.00 0.00 59 L 7.73 3.96 0.00 1.90 1.85 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.11 4.02 0.00 2.03 1.99 0.00 3.22 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 61 L 7.12 4.13 0.00 1.74 1.60 0.84 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.54 0.00 2.18 1.98 0.00 3.65 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 2.14 2.15 0.00 63 K 8.68 3.76 0.00 1.83 1.84 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.54 7.81 64 A 7.98 4.08 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 65 L 7.87 4.22 0.00 1.93 1.75 1.02 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.80 3.94 0.00 1.98 2.04 0.00 3.06 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.73 0.00 67 E 7.98 4.13 0.00 2.12 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 2.26 2.18 0.00 68 M 7.29 4.37 0.00 2.38 2.21 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.69 0.00 69 N 8.93 4.44 0.00 2.92 2.92 0.00 0.00 6.94 7.95 0.00 0.00 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 W 9.15 4.39 0.00 3.69 3.19 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 0.00 0.00 0.00 71 L 6.88 3.40 0.00 1.29 1.37 0.65 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 72 D 7.92 4.40 0.00 2.90 2.73 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 73 Y 7.93 3.84 0.00 3.05 3.37 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 74 F 7.73 4.35 0.00 3.03 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 75 A 7.38 3.99 1.05 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 0.00 0.00 76 L 6.76 3.14 0.00 1.55 1.76 0.91 0.94 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