NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 28 S 4.4942 8.1933 116.7992 58.6968 64.4136 174.1606 29 T 4.0880 8.1618 117.3042 65.6574 68.5251 175.8491 30 A 4.0032 8.6653 123.8115 54.7071 18.9017 179.1516 31 E 3.8513 8.0239 116.7665 59.5049 29.6501 178.9930 32 R 3.9174 7.5334 117.2531 59.8436 30.3307 178.3485 33 S 3.0164 7.5609 112.2633 61.0083 61.9614 175.8859 34 A 4.0662 7.7152 122.8240 54.3381 18.2137 179.6258 35 R 3.8224 8.0940 117.8635 59.5190 30.1682 178.2589 36 F 4.1530 8.9681 120.9914 61.4201 39.2186 177.0045 37 E 3.8469 8.1148 117.5985 59.5831 29.3067 179.6372 38 R 3.8694 7.7076 118.0884 59.1069 29.8466 178.8643 39 D 4.1385 8.1388 118.1554 57.2627 41.1419 178.3168 40 A 4.1298 8.3097 121.5606 55.2018 18.3335 179.6438 41 L 4.1095 8.1921 117.4558 57.3061 41.4490 179.0306 42 E 3.7604 7.6388 119.0748 59.1148 29.6751 178.1940 43 F 4.6807 7.6714 115.7401 58.0468 39.2207 177.0408 44 L 4.2685 7.7172 122.9149 57.9211 41.7427 178.4945 45 D 4.4623 8.0883 117.0727 57.2855 41.4068 177.7949 46 Q 4.1323 8.2262 119.7281 59.2424 29.2077 177.6744 47 M 4.3490 8.5859 120.0005 57.8357 32.0438 177.6305 48 Y 4.2751 8.1421 119.6534 59.9552 38.8874 177.5988 49 S 3.9892 8.1485 115.5126 61.3289 63.2197 176.1097 50 A 4.0564 8.0144 122.9463 55.0038 17.8300 179.5856 51 A 3.9230 7.8597 119.1122 54.9974 18.2799 179.8389 52 L 3.7526 7.6287 117.8150 57.6532 41.3655 179.4321 53 R 4.0769 7.6115 116.7078 58.1460 30.2789 177.9186 54 M 4.0961 7.7784 116.9342 56.0194 32.5194 176.5579 55 T 3.9718 7.2759 106.2625 60.4495 70.8886 174.2038 56 R 3.5320 7.4292 120.7565 55.6544 27.3518 177.0464 57 N 4.4879 7.6548 113.7165 51.8792 41.5012 172.7639 58 P 4.2703 0.0000 0.0000 65.7074 31.5038 177.7284 59 A 4.0504 8.2522 118.6964 55.8142 18.1930 179.3715 60 D 4.4279 8.4857 116.8449 57.2734 40.9249 178.6696 61 A 3.9602 9.4564 121.7250 55.2790 18.2315 179.3736 62 E 4.1251 8.9916 117.9694 59.6136 29.7896 178.7763 63 D 4.3986 8.2061 119.0022 57.1498 40.9458 178.4080 64 L 4.0091 8.3280 121.1179 58.3427 42.0756 179.1754 65 V 3.7989 8.3224 112.6502 64.9306 31.5758 178.6102 66 Q 4.0562 8.5147 117.7918 59.1027 28.5246 178.6409 67 E 4.0865 8.4887 120.1793 59.1118 29.6038 179.0568 68 T 3.8013 7.8366 115.9751 66.8003 68.7090 176.1208 69 Y 3.2494 8.3454 118.5368 60.7737 37.8777 178.6511 70 A 4.1156 7.9800 121.5122 55.2899 18.2971 179.8717 71 K 3.9489 7.9155 115.5178 59.3825 32.3567 179.2392 72 A 4.1839 8.1854 121.3485 55.4961 18.2398 179.2061 73 Y 4.6751 8.7303 115.5869 61.4952 37.7745 178.8033 74 A 4.3950 8.3055 120.0520 54.0032 18.7076 178.6269 75 S 4.9396 8.0459 112.1855 58.2134 63.8475 175.6465 76 F 3.2826 8.1315 124.4915 61.5164 38.8207 176.7811 77 H 3.7639 8.5109 112.8158 58.5484 28.1132 176.1080 78 Q 3.9913 8.4241 117.3112 56.4274 29.0163 175.6014 79 F 3.9443 7.4917 121.5224 57.1176 40.0499 173.7699 80 R 3.5910 7.6954 131.6300 58.1814 29.3452 177.2665 81 E 4.5335 5.9000 115.3845 57.7087 34.8930 179.3489 82 G 3.6763 8.7470 106.4964 48.2696 0.0000 175.1558 83 T 3.2991 6.6065 113.9208 60.5922 67.1791 172.7616 84 N 4.4899 8.6527 124.2017 53.2420 39.9913 174.8553 85 L 4.1474 8.7585 129.6637 58.4539 42.4791 178.6186 86 K 3.2065 7.9580 117.6673 59.6640 31.8970 178.8685 87 A 4.4185 9.0581 120.7542 54.5687 18.1478 179.5722 88 W 4.2256 8.2178 126.9519 60.5481 30.8267 178.3237 89 L 3.7983 8.3488 119.0695 57.9828 41.0736 178.6976 90 Y 4.5523 7.9511 117.1527 61.6213 37.8580 179.1374 91 R 3.8798 8.1623 119.0709 59.5467 30.1555 178.6330 92 I 3.6097 7.2200 119.7841 63.9603 36.9654 178.1164 93 L 4.0095 8.5588 121.9659 58.2379 41.9128 179.1944 94 T 3.9256 8.1548 109.9898 64.7729 68.8621 176.1714 95 N 4.3081 8.1729 120.0057 56.7935 38.9732 176.9736 96 T 4.0089 7.9838 117.0804 66.1682 67.5691 176.6095 97 F 4.0939 8.5636 123.0365 61.4036 39.1699 177.2841 98 I 3.6637 7.8167 117.8675 64.5697 37.1933 177.7619 99 N 4.6596 8.0546 113.9032 55.0341 38.6190 175.0829 100 S 4.4905 7.8219 113.2621 59.8140 66.4278 177.4541 101 Y 3.9852 7.3264 126.1187 58.0422 39.7142 176.8620 102 R 4.1751 8.2402 117.7097 56.8490 29.6988 176.0693 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 28 S 8.19 4.49 0.00 3.98 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 29 T 8.16 4.09 4.28 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 1.31 0.00 0.00 30 A 8.67 4.00 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 31 E 8.02 3.85 0.00 2.03 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 2.35 0.00 32 R 7.53 3.92 0.00 2.32 2.17 0.00 3.22 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.52 0.00 33 S 7.56 3.02 0.00 2.72 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.72 4.07 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 35 R 8.09 3.82 0.00 1.97 2.24 0.00 3.14 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 36 F 8.97 4.15 0.00 3.20 3.21 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 0.00 0.00 0.00 0.00 37 E 8.11 3.85 0.00 2.17 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 0.00 2.15 2.52 0.00 38 R 7.71 3.87 0.00 1.74 1.90 0.00 3.08 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.92 0.00 39 D 8.14 4.14 0.00 2.72 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 40 A 8.31 4.13 1.12 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 0.00 0.00 41 L 8.19 4.11 0.00 1.71 1.67 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 42 E 7.64 3.76 0.00 1.75 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 1.88 2.12 0.00 43 F 7.67 4.68 0.00 3.30 3.06 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 0.00 0.00 0.00 44 L 7.72 4.27 0.00 1.39 1.56 0.16 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.09 4.46 0.00 2.86 2.71 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 46 Q 8.23 4.13 0.00 2.35 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.70 0.00 0.00 0.00 0.00 0.00 2.54 2.68 0.00 47 M 8.59 4.35 0.00 2.32 2.60 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.68 0.00 48 Y 8.14 4.28 0.00 3.11 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 49 S 8.15 3.99 0.00 4.33 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 50 A 8.01 4.06 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.86 3.92 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 52 L 7.63 3.75 0.00 1.68 1.59 0.79 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.61 4.08 0.00 1.82 1.88 0.00 3.10 0.00 0.00 3.15 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 54 M 7.78 4.10 0.00 1.14 1.83 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.16 0.00 55 T 7.28 3.97 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 0.80 0.00 0.00 56 R 7.43 3.53 0.00 1.90 2.00 0.00 3.31 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 57 N 7.65 4.49 0.00 2.78 2.98 0.00 0.00 7.02 7.71 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 58 P 0.00 4.27 0.00 2.27 2.21 0.00 3.71 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 59 A 8.25 4.05 1.43 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 60 D 8.49 4.43 0.00 3.01 3.06 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 0.00 0.00 0.00 61 A 9.46 3.96 1.22 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 62 E 8.99 4.13 0.00 2.13 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 2.35 2.36 0.00 63 D 8.21 4.40 0.00 2.84 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 64 L 8.33 4.01 0.00 1.81 1.98 1.05 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.32 3.80 2.29 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 1.00 0.00 0.00 1.25 0.00 0.00 66 Q 8.51 4.06 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 67 E 8.49 4.09 0.00 2.10 2.04 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 2.33 2.38 0.00 68 T 7.84 3.80 4.58 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 69 Y 8.35 3.25 0.00 3.02 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 70 A 7.98 4.12 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 71 K 7.92 3.95 0.00 2.23 1.79 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.47 1.33 7.81 72 A 8.19 4.18 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 73 Y 8.73 4.68 0.00 3.15 3.06 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 0.00 0.00 0.00 74 A 8.31 4.39 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.05 4.94 0.00 4.29 4.07 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 76 F 8.13 3.28 0.00 2.64 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 77 H 8.51 3.76 0.00 3.26 3.45 0.00 5.57 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.42 3.99 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.90 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 79 F 7.49 3.94 0.00 1.53 2.27 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 80 R 7.70 3.59 0.00 1.52 1.49 0.00 3.17 0.00 0.00 3.06 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.41 0.00 81 E 5.90 4.53 0.00 1.96 1.76 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 2.15 2.11 0.00 82 G 8.75 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 83 T 6.61 3.30 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 84 N 8.65 4.49 0.00 2.80 2.78 0.00 0.00 6.83 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.76 4.15 0.00 1.90 1.82 0.66 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 86 K 7.96 3.21 0.00 1.50 1.47 0.00 1.27 0.00 0.00 1.56 0.00 0.00 2.70 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.46 0.21 7.81 87 A 9.06 4.42 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 W 8.22 4.23 0.00 3.78 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.35 3.80 0.00 1.62 1.49 0.90 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 7.95 4.55 0.00 3.13 2.93 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 91 R 8.16 3.88 0.00 1.89 2.13 0.00 3.10 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.61 0.00 92 I 7.22 3.61 1.64 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.06 0.74 0.00 0.00 93 L 8.56 4.01 0.00 1.84 1.95 1.00 0.96 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 94 T 8.15 3.93 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 1.22 0.00 0.00 95 N 8.17 4.31 0.00 2.77 3.02 0.00 0.00 7.25 7.36 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 96 T 7.98 4.01 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 97 F 8.56 4.09 0.00 3.20 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 98 I 7.82 3.66 2.07 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 1.73 1.08 0.95 0.00 0.00 99 N 8.05 4.66 0.00 2.79 2.86 0.00 0.00 6.94 6.86 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 0.00 100 S 7.82 4.49 0.00 3.98 3.73 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 0.00 101 Y 7.33 3.99 0.00 3.01 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 0.00 102 R 8.24 4.18 0.00 2.07 1.90 0.00 3.49 0.00 0.00 3.42 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.46 0.00