NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2723 8.4444 116.7581 55.9250 31.7210 174.0323 3 S 4.5761 8.1643 110.6747 57.1483 63.4445 173.1917 4 F 4.1664 9.3045 130.7067 62.0303 39.7396 175.6563 5 L 3.8815 8.3715 119.6422 57.2506 41.9668 178.8387 6 L 3.7804 8.2019 120.1176 58.0182 42.5670 179.0444 7 S 4.2862 7.9259 115.5486 61.3880 62.6062 176.9174 8 K 3.9424 7.6539 122.2446 58.1142 31.6936 179.7638 9 V 3.5810 8.0041 118.9391 66.1757 31.4485 177.8929 10 S 4.0958 8.5824 113.2253 61.3867 62.0905 175.9533 11 F 4.0295 8.3303 123.2021 61.3899 39.2053 177.3698 12 V 3.3626 7.8495 117.8481 65.6505 31.1832 177.6686 13 I 3.7436 7.8986 119.8920 64.4555 36.9430 177.8844 14 K 3.7141 7.8104 119.8749 59.4490 31.8691 178.1924 15 K 3.7707 7.5672 119.6803 59.8141 31.9041 178.6266 16 I 3.7253 7.6702 119.4825 64.2666 37.1233 178.1621 17 R 3.8726 8.2982 120.0036 59.6116 29.8103 178.4651 18 L 3.9100 8.6448 119.4351 58.0171 41.4722 179.2653 19 E 4.0136 8.7061 118.1307 59.1078 29.3497 178.6373 20 K 4.4571 8.1295 116.8455 54.9956 32.4035 176.6854 21 G 4.0214 7.9549 106.8245 46.8607 0.0000 173.3684 22 M 4.7549 7.8148 117.1245 53.5053 34.7848 175.5928 23 T 4.5713 8.2653 115.3646 60.2369 72.6478 175.6189 24 Q 3.9408 8.3470 118.7446 59.3565 28.7556 178.5117 25 E 4.1720 8.1706 117.8306 59.1521 29.4895 178.4790 26 D 4.3987 7.7867 119.5306 57.5742 40.9850 178.5398 27 L 3.9753 8.0918 120.3098 57.9418 42.0092 178.8595 28 A 4.0602 8.5447 121.5240 54.9766 18.0156 178.9792 29 Y 4.0503 7.5223 117.3748 60.7630 39.1404 177.6056 30 K 3.8909 8.2898 118.5729 58.5573 32.2684 178.5664 31 S 4.5056 7.9873 114.2368 58.1653 63.5236 174.8202 32 N 4.2288 7.8712 117.8931 53.1730 34.5297 178.7134 33 L 4.7253 7.2684 118.2398 53.5394 44.7697 176.3924 34 D 4.6405 8.2162 118.6954 53.8577 42.6763 177.5778 35 A 4.0406 8.6836 125.4942 55.4551 18.5278 180.0201 36 T 3.8456 8.0354 108.0720 65.5328 68.5666 175.4031 37 Y 3.8992 7.9629 122.1528 60.0782 38.6979 177.7859 38 I 3.7611 7.5654 119.5243 64.4928 37.5435 178.0153 39 S 4.3168 8.4271 116.4320 61.7508 62.6355 176.7393 40 G 3.7011 7.9869 107.7989 48.2116 0.0000 175.0952 41 I 3.5512 7.4173 122.7836 64.1625 37.0453 177.8170 42 E 4.4720 7.8298 116.9197 56.9643 29.3575 177.6379 43 R 4.4757 7.5694 116.9598 55.1013 30.7535 175.6906 44 N 4.1257 7.7997 113.6923 55.0835 36.4855 175.0951 45 S 4.7553 8.3709 106.6964 57.6390 63.9426 173.1014 46 R 4.4545 7.5610 115.6112 54.5353 33.7396 174.1782 47 N 4.7225 8.5557 119.4993 51.8366 39.1281 173.9400 48 L 5.1755 8.4839 125.9904 54.0749 42.2909 177.3871 49 T 4.3658 8.2288 112.4916 60.9592 71.4977 175.7031 50 I 3.7410 8.3060 121.8418 64.4760 36.8729 178.8733 51 K 3.9037 7.8008 119.2493 59.7442 31.8972 179.5243 52 S 3.8363 8.0582 114.8143 61.5290 62.7138 176.5056 53 L 3.8739 7.9681 123.1616 57.8686 41.7684 178.7102 54 E 3.7927 8.0104 119.2932 59.1214 29.5951 178.4496 55 L 3.9108 8.5622 119.8435 58.0152 41.7036 179.6426 56 I 3.6411 7.9210 119.5314 64.8788 37.0056 178.3107 57 M 4.0350 8.3107 119.9278 58.2545 31.5448 178.8640 58 K 4.1258 8.3233 118.9720 59.2875 32.8198 179.3375 59 G 3.6743 7.9110 106.4320 47.9072 0.0000 175.4057 60 L 4.1090 8.2267 120.2788 54.9574 41.9017 176.8660 61 E 3.7989 7.8067 117.0617 57.7359 27.1936 174.6061 62 V 4.4513 7.3475 110.9791 59.0796 34.8871 176.4075 63 S 4.4382 8.4258 118.3820 58.1954 64.0073 174.8323 64 D 4.5140 8.6189 119.8201 57.0447 40.4977 179.2336 65 V 3.6972 7.8345 118.4507 66.0956 31.7300 177.9777 66 V 3.5969 7.4826 116.6392 65.9545 31.3463 177.4751 67 F 3.8327 8.0404 119.7249 61.6295 39.2469 177.2687 68 F 4.4497 8.3652 116.8295 60.2657 38.3188 177.6731 69 E 4.0560 8.5914 118.8677 59.6615 28.9926 178.9163 70 M 4.1348 8.0110 117.7885 56.9692 31.9602 178.5968 71 L 3.8428 7.5807 121.2988 58.1230 42.1900 178.5068 72 I 3.7096 7.5196 118.3325 64.4679 37.5090 177.7446 73 K 4.0164 7.7521 119.7505 59.8366 31.7203 178.6427 74 E 4.0126 7.6707 116.2690 59.3857 29.4754 178.9743 75 I 3.9306 7.9014 119.2091 63.8731 37.1803 176.6228 76 L 4.4105 7.5241 123.2439 54.8172 41.8126 176.2345 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 2 E 8.44 4.27 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 2.13 1.88 0.00 3 S 8.16 4.58 0.00 3.95 3.78 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 4 F 9.30 4.17 0.00 3.17 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 5 L 8.37 3.88 0.00 1.83 1.61 1.00 0.62 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 6 L 8.20 3.78 0.00 1.90 1.74 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 7 S 7.93 4.29 0.00 4.03 4.22 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 8 K 7.65 3.94 0.00 1.36 1.73 0.00 0.82 0.00 0.00 1.44 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.22 7.81 9 V 8.00 3.58 2.14 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 1.19 0.00 0.00 1.07 0.00 0.00 10 S 8.58 4.10 0.00 4.00 4.06 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 11 F 8.33 4.03 0.00 3.26 3.14 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 12 V 7.85 3.36 1.58 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 0.56 0.00 0.00 0.93 0.00 0.00 13 I 7.90 3.74 2.11 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.71 0.94 0.00 0.00 14 K 7.81 3.71 0.00 1.71 1.62 0.00 1.61 0.00 0.00 1.50 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.37 7.81 15 K 7.57 3.77 0.00 1.31 1.72 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.37 7.81 16 I 7.67 3.73 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.71 0.91 0.00 0.00 17 R 8.30 3.87 0.00 1.85 2.14 0.00 3.18 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 18 L 8.64 3.91 0.00 1.81 1.64 0.84 0.87 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 19 E 8.71 4.01 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 2.32 2.47 0.00 20 K 8.13 4.46 0.00 1.96 1.82 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.44 1.59 7.81 21 G 7.95 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 0.00 0.00 0.00 22 M 7.81 4.75 0.00 2.04 2.04 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 2.52 2.45 0.00 23 T 8.27 4.57 4.35 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 1.20 0.00 0.00 24 Q 8.35 3.94 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.93 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 25 E 8.17 4.17 0.00 2.18 2.24 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 2.37 2.35 0.00 26 D 7.79 4.40 0.00 3.01 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 27 L 8.09 3.98 0.00 1.80 1.83 0.96 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.54 4.06 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.52 4.05 0.00 2.99 3.30 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 0.00 30 K 8.29 3.89 0.00 1.78 1.83 0.00 1.79 0.00 0.00 1.93 0.00 0.00 3.16 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.59 7.81 31 S 7.99 4.51 0.00 4.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.87 4.23 0.00 2.95 2.86 0.00 0.00 6.60 7.79 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 33 L 7.27 4.73 0.00 1.57 1.58 0.72 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.22 4.64 0.00 2.73 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 35 A 8.68 4.04 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 36 T 8.04 3.85 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 1.24 0.00 0.00 37 Y 7.96 3.90 0.00 3.10 3.14 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 38 I 7.57 3.76 2.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.98 0.94 0.00 0.00 39 S 8.43 4.32 0.00 3.97 3.92 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 40 G 7.99 3.70 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 0.00 0.00 0.00 41 I 7.42 3.55 2.01 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.36 0.90 0.00 0.00 42 E 7.83 4.47 0.00 2.06 1.98 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 2.32 2.36 0.00 43 R 7.57 4.48 0.00 1.75 1.89 0.00 3.35 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.78 0.00 44 N 7.80 4.13 0.00 2.89 2.81 0.00 0.00 6.42 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 45 S 8.37 4.76 0.00 3.73 3.85 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 46 R 7.56 4.45 0.00 1.46 1.22 0.00 3.23 0.00 0.00 3.06 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.10 0.00 47 N 8.56 4.72 0.00 2.67 2.77 0.00 0.00 6.99 7.78 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 48 L 8.48 5.18 0.00 1.99 1.77 1.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.23 4.37 4.26 0.00 0.00 0.00 0.00 0.00 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 50 I 8.31 3.74 1.89 0.00 0.00 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 1.67 0.68 0.92 0.00 0.00 51 K 7.80 3.90 0.00 1.70 1.82 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.61 7.81 52 S 8.06 3.84 0.00 4.04 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 53 L 7.97 3.87 0.00 1.75 1.79 0.67 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.01 3.79 0.00 2.18 2.03 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 2.26 2.30 0.00 55 L 8.56 3.91 0.00 1.96 1.66 0.86 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.92 3.64 1.99 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 1.54 0.77 0.90 0.00 0.00 57 M 8.31 4.03 0.00 1.85 2.14 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00 58 K 8.32 4.13 0.00 1.95 2.01 0.00 1.27 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.42 7.81 59 G 7.91 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 4.11 0.00 1.74 1.76 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.81 3.80 0.00 2.09 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 0.00 2.23 2.26 0.00 62 V 7.35 4.45 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 0.76 0.00 0.00 1.05 0.00 0.00 63 S 8.43 4.44 0.00 4.05 4.05 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 64 D 8.62 4.51 0.00 2.95 3.07 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 65 V 7.83 3.70 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 1.17 0.00 0.00 1.00 0.00 0.00 66 V 7.48 3.60 2.13 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 0.95 0.00 0.00 0.96 0.00 0.00 67 F 8.04 3.83 0.00 3.16 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.37 4.45 0.00 3.37 3.11 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 69 E 8.59 4.06 0.00 2.33 2.02 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 2.38 2.53 0.00 70 M 8.01 4.13 0.00 1.89 1.96 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 2.69 2.48 0.00 71 L 7.58 3.84 0.00 1.61 1.84 1.04 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 72 I 7.52 3.71 1.91 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 1.47 0.84 0.95 0.00 0.00 73 K 7.75 4.02 0.00 1.83 1.97 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.51 7.81 74 E 7.67 4.01 0.00 2.25 1.98 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 2.67 2.41 0.00 75 I 7.90 3.93 2.16 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.59 1.05 0.00 0.00 76 L 7.52 4.41 0.00 1.84 1.58 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00