NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 V 4.1041 8.0549 114.0567 61.0122 33.0220 175.2073 12 Q 4.0538 8.3891 122.3848 55.1110 29.5187 175.4571 13 R 4.1855 9.1044 120.6857 55.1434 33.1758 175.7410 14 P 4.2094 0.0000 0.0000 66.3114 31.1769 179.0786 15 L 3.9989 7.8139 114.9831 57.4057 41.8449 178.8751 16 D 4.5943 8.0805 118.6582 57.2109 41.0627 178.3878 17 A 4.2319 8.3491 121.4382 54.8614 18.2645 179.3274 18 L 3.8999 7.9416 119.3045 58.1324 41.9445 179.2286 19 G 4.1306 8.2124 105.7968 47.9958 0.0000 175.0231 20 N 4.6050 8.1280 116.9875 55.1992 38.9987 176.4369 21 S 4.5722 8.2878 116.2393 57.3624 63.4141 173.9179 22 L 4.2646 7.2029 123.1308 56.2899 41.7860 177.0733 23 N 4.4972 9.4383 119.4802 53.5644 36.9146 174.0572 24 S 4.9629 7.6078 114.0214 55.8221 66.6828 171.8025 25 P 4.9858 0.0000 0.0000 62.9392 32.6123 175.9629 26 V 5.0421 9.5138 116.6951 59.7849 36.9275 174.2066 27 I 4.9559 9.1243 122.5170 59.7393 40.1518 174.9421 28 I 4.7063 8.9179 128.6317 59.4482 39.2370 174.5678 29 K 4.3240 8.1384 129.8895 55.3817 33.4101 175.9168 30 L 5.1563 8.2587 126.7041 52.4293 45.2312 176.0357 31 K 4.1655 8.4226 120.8259 58.0318 32.1745 178.0107 32 G 3.8825 8.7151 111.8557 44.9869 0.0000 173.8571 33 D 4.6793 7.8020 117.7173 54.0603 39.9150 174.4105 34 R 4.3006 7.4503 118.1442 56.5752 31.9722 174.5896 35 E 5.0827 8.1395 118.3608 55.5750 33.4602 173.9697 36 F 5.2163 9.3285 124.2252 55.7643 43.1225 174.3925 37 R 5.0606 8.7082 119.4526 54.4801 34.3787 175.3096 38 G 4.1543 8.0189 107.1727 46.6929 0.0000 170.9681 39 V 4.7286 7.7897 120.2716 61.0203 33.4205 175.6276 40 L 4.3352 8.7976 130.9909 55.5472 42.2432 177.0435 41 K 4.5755 8.9278 126.7985 57.9822 33.9683 176.4345 42 S 4.6785 7.8373 112.1505 58.2138 65.8129 174.4756 43 F 5.7865 8.0647 114.4860 56.9980 40.7665 171.9848 44 D 4.9399 8.5501 117.7861 51.0768 42.3199 176.0398 45 L 4.0865 8.4463 118.1073 58.3704 40.3333 177.3545 46 H 4.5336 8.4730 116.2402 55.8534 29.0037 175.8603 47 M 3.2866 8.3924 118.4638 56.0047 31.3942 176.1091 48 N 5.0105 8.1222 114.2233 53.2430 40.2465 173.7426 49 L 5.1511 8.7984 120.4072 54.8020 44.8892 174.2909 50 V 4.8788 8.7557 119.6104 61.1319 34.0083 174.2200 51 L 5.3423 8.9976 127.5643 53.1362 45.0005 175.3785 52 N 5.0790 9.1677 119.8086 51.4539 41.6570 174.2117 53 D 4.3965 8.3609 117.7628 55.3828 38.8408 173.7081 54 A 5.0914 7.9503 120.0210 51.1527 21.5831 177.7066 55 E 5.0636 8.9246 117.3322 54.6816 33.5994 173.8274 56 E 4.1636 9.2484 123.5772 54.8199 31.4417 174.7247 57 L 5.2752 8.5902 125.6855 53.1413 46.3824 175.4797 58 E 4.4209 8.7382 120.2490 55.6748 33.9013 175.5248 59 D 4.1807 9.7582 123.1583 55.1947 38.3531 175.0962 60 G 3.9723 8.4454 108.2234 45.2395 0.0000 173.9021 61 E 4.4935 7.6900 119.7801 54.4914 30.9103 175.9632 62 V 4.0514 8.0072 117.0105 62.0785 31.8734 176.3293 63 T 4.4626 8.7292 122.3557 64.1948 69.7334 175.2399 64 R 4.4179 7.3204 115.5251 55.7134 31.9681 173.3711 65 R 4.9283 8.7520 120.1006 55.0627 31.0308 175.9760 66 L 4.3440 9.3780 124.1722 53.6257 43.3556 178.9980 67 G 3.9532 8.3071 106.5062 45.9470 0.0000 173.1146 68 T 4.8966 8.3807 121.0946 63.2762 69.3208 174.5641 69 V 4.4895 9.0456 125.2514 59.8621 35.3864 173.9111 70 L 4.9520 8.5125 124.9962 53.7441 43.4857 175.1682 71 I 4.2966 8.5916 128.1921 59.2095 39.4571 175.4535 72 R 4.4229 8.4968 127.7102 55.8002 30.8342 177.4395 73 G 3.7925 10.1818 114.9850 48.0161 0.0000 174.6088 74 D 4.5898 8.0262 116.6884 54.5360 39.7930 176.4157 75 N 4.6270 7.9129 117.5960 54.1587 39.2791 175.0920 76 I 4.2052 7.4859 120.0299 61.2200 37.8780 175.2215 77 V 4.2779 8.4526 125.4751 64.3661 32.2596 175.1162 78 Y 5.0447 7.0847 115.9573 55.8651 41.8769 172.8089 79 I 5.3126 8.4888 119.7821 59.7580 40.7305 174.9572 80 S 4.8754 9.1704 120.3832 56.3673 67.0892 173.2818 81 R 4.5825 8.6431 118.7358 56.1321 30.8295 176.8668 82 G 4.0922 8.7229 110.2359 45.1172 0.0000 172.8495 83 K 4.6866 8.3812 118.6193 54.5203 34.3598 176.3651 84 L 4.4206 8.0475 120.2235 53.0540 43.1026 176.6328 85 A 3.9712 8.4763 122.0720 52.5909 18.5647 178.6802 86 A 3.8449 8.6324 124.1503 54.4101 18.6385 177.6682 87 A 4.0895 7.3623 122.5528 52.0962 20.2922 177.0764 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 11 V 8.05 4.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.93 0.00 0.00 12 Q 8.39 4.05 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 13 R 9.10 4.19 0.00 1.83 1.85 0.00 3.33 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 14 P 0.00 4.21 0.00 2.13 2.10 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 15 L 7.81 4.00 0.00 1.64 1.87 0.86 1.07 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 16 D 8.08 4.59 0.00 2.86 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 17 A 8.35 4.23 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 18 L 7.94 3.90 0.00 1.61 0.91 -0.32 0.78 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 19 G 8.21 4.13 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 0.00 0.00 0.00 20 N 8.13 4.60 0.00 2.86 2.91 0.00 0.00 6.98 6.89 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 21 S 8.29 4.57 0.00 3.94 3.89 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 22 L 7.20 4.26 0.00 1.78 1.66 0.97 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 23 N 9.44 4.50 0.00 2.87 3.02 0.00 0.00 6.84 7.54 0.00 0.00 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 S 7.61 4.96 0.00 3.97 3.74 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 25 P 0.00 4.99 0.00 2.09 1.99 0.00 3.55 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 2.12 2.13 0.00 26 V 9.51 5.04 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 0.96 0.00 0.00 1.00 0.00 0.00 27 I 9.12 4.96 1.99 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.82 1.02 0.00 0.00 28 I 8.92 4.71 1.96 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 1.10 0.68 0.87 0.00 0.00 29 K 8.14 4.32 0.00 0.79 0.74 0.00 1.42 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.03 1.19 7.81 30 L 8.26 5.16 0.00 1.69 1.65 1.11 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 31 K 8.42 4.17 0.00 1.76 1.76 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.50 7.81 32 G 8.72 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 7.80 4.68 0.00 2.86 2.90 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 34 R 7.45 4.30 0.00 1.78 1.76 0.00 3.30 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 35 E 8.14 5.08 0.00 1.88 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 36 F 9.33 5.22 0.00 3.02 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 37 R 8.71 5.06 0.00 1.77 1.78 0.00 3.20 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 38 G 8.02 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 0.00 0.00 0.00 0.00 39 V 7.79 4.73 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.95 0.00 0.00 40 L 8.80 4.34 0.00 1.87 1.74 1.07 0.42 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 41 K 8.93 4.58 0.00 1.77 1.84 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.67 7.81 42 S 7.84 4.68 0.00 3.70 3.87 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 43 F 8.06 5.79 0.00 3.11 3.03 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 44 D 8.55 4.94 0.00 2.85 2.78 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 0.00 0.00 0.00 0.00 45 L 8.45 4.09 0.00 1.78 1.85 0.88 0.52 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 46 H 8.47 4.53 0.00 3.42 3.33 0.00 5.70 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 M 8.39 3.29 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 48 N 8.12 5.01 0.00 2.96 2.73 0.00 0.00 6.55 6.74 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 49 L 8.80 5.15 0.00 1.91 1.82 0.88 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.76 4.88 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 1.01 0.00 0.00 0.93 0.00 0.00 51 L 9.00 5.34 0.00 1.58 1.53 0.96 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 52 N 9.17 5.08 0.00 2.62 2.71 0.00 0.00 7.10 7.74 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 53 D 8.36 4.40 0.00 2.79 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 54 A 7.95 5.09 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 55 E 8.92 5.06 0.00 2.06 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 0.00 2.20 2.23 0.00 56 E 9.25 4.16 0.00 1.73 1.65 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 0.00 1.92 1.47 0.00 57 L 8.59 5.28 0.00 1.46 1.41 0.90 0.76 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 58 E 8.74 4.42 0.00 1.81 1.74 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 2.13 2.18 0.00 59 D 9.76 4.18 0.00 2.79 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 60 G 8.45 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 0.00 0.00 0.00 61 E 7.69 4.49 0.00 2.01 1.84 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 2.25 2.39 0.00 62 V 8.01 4.05 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 0.71 0.00 0.00 0.91 0.00 0.00 63 T 8.73 4.46 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 1.22 0.00 0.00 64 R 7.32 4.42 0.00 1.83 1.96 0.00 2.94 0.00 0.00 3.54 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.50 0.00 65 R 8.75 4.93 0.00 1.71 1.91 0.00 3.19 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 66 L 9.38 4.34 0.00 1.55 1.76 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.31 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.38 4.90 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 1.28 0.00 0.00 69 V 9.05 4.49 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 0.88 0.00 0.00 0.80 0.00 0.00 70 L 8.51 4.95 0.00 1.62 1.57 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.59 4.30 1.71 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.31 0.71 0.00 0.00 72 R 8.50 4.42 0.00 1.80 1.76 0.00 3.16 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.74 0.00 73 G 10.18 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.03 4.59 0.00 2.79 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 4.63 0.00 2.81 2.88 0.00 0.00 6.96 8.53 0.00 0.00 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 7.49 4.21 1.92 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 1.13 0.54 0.89 0.00 0.00 77 V 8.45 4.28 2.07 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 0.88 0.00 0.00 0.95 0.00 0.00 78 Y 7.08 5.04 0.00 3.02 3.02 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 79 I 8.49 5.31 1.88 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.67 0.91 0.00 0.00 80 S 9.17 4.88 0.00 3.85 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 81 R 8.64 4.58 0.00 1.73 1.91 0.00 3.20 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 82 G 8.72 4.09 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 0.00 0.00 0.00 83 K 8.38 4.69 0.00 1.75 1.73 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.44 7.81 84 L 8.05 4.42 0.00 1.64 1.60 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.48 3.97 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 86 A 8.63 3.84 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 87 A 7.36 4.09 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