NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.2864 8.4449 121.4698 56.0161 31.6607 176.2038 4 T 3.7965 7.8396 115.6419 63.1895 68.9059 172.0431 5 K 4.4223 9.1650 126.6852 54.7934 34.4704 174.7621 6 P 5.1647 0.0000 0.0000 62.6991 32.8776 175.2795 7 R 4.9434 9.1145 122.2319 54.6796 32.5562 174.9468 8 I 4.8543 8.7678 125.7397 59.7455 39.6026 174.7942 9 A 5.1221 8.8551 127.4817 50.1458 22.3833 174.9525 10 I 4.6371 9.3015 123.7999 59.6790 39.6440 174.8116 11 R 5.0968 8.7148 127.8288 55.0276 31.7817 175.5802 12 Y 5.5650 8.3035 121.0781 55.2106 41.8169 174.0135 13 C 4.5881 9.6280 122.8146 59.9217 32.0384 174.3626 14 T 4.0814 8.5292 124.0165 66.9616 68.3015 177.0227 15 Q 3.9569 7.8680 118.5277 59.0199 28.8046 177.0030 16 C 3.9944 7.5673 112.4136 59.3018 28.1182 172.7718 17 N 4.2296 7.4117 116.2987 54.3780 36.2899 175.2172 18 W 5.0003 7.8570 113.9597 56.8044 29.5490 177.4525 19 L 3.1816 7.9206 122.8467 57.9088 41.5833 178.6139 20 L 3.9810 7.9774 118.6432 58.0463 41.4288 179.7189 21 R 4.1370 7.9594 113.6222 59.1103 29.4887 178.2592 22 A 4.4108 8.0467 120.9593 55.0014 18.7291 179.3547 23 G 3.8353 8.3902 104.7306 47.6835 0.0000 176.0947 24 W 4.0949 8.2029 126.7872 58.0503 30.4963 177.1809 *26 A 4.2098 7.9083 121.7622 51.9398 20.0530 179.9267 27 Q 3.9942 8.0220 114.8036 59.0063 28.7437 178.5726 28 E 3.8392 8.1769 120.0385 59.4196 29.3960 179.5776 29 I 3.8270 7.4734 119.0608 64.6129 36.8346 178.4627 30 L 4.2054 8.0645 119.5990 57.3227 41.1409 179.3661 31 Q 3.9380 8.1454 119.5654 59.5934 29.1167 178.2165 32 T 3.9046 7.5530 115.0799 65.4433 68.7697 175.8600 33 F 4.8372 8.3129 118.8227 56.9898 39.6504 177.4758 34 A 4.1682 8.2937 124.8232 55.1665 18.2650 181.1782 35 S 4.2708 8.1896 109.6789 61.7781 62.9432 175.4647 36 D 4.6630 8.1596 117.4172 54.6388 41.1612 176.3389 37 I 4.5475 6.9975 113.1218 58.7700 39.9428 175.9461 38 G 3.9166 9.1561 110.7449 49.1229 0.0000 173.5323 39 E 4.8968 7.6541 115.5317 55.2769 32.7247 174.6263 40 V 4.8078 8.4068 120.4233 61.3610 33.9452 174.5463 41 S 4.8366 9.2359 124.5859 56.8699 65.2263 173.0120 42 L 5.0387 8.5681 124.4814 53.3794 43.3320 175.9521 43 I 4.4706 8.9954 125.5508 58.6181 39.8091 173.4045 44 P 3.4987 0.0000 0.0000 62.5078 32.1150 176.0993 45 S 4.7096 8.6050 119.6364 57.2066 68.2862 173.1876 46 T 4.5865 8.1850 110.1445 60.6126 70.9555 173.0092 47 G 3.9296 8.4875 110.1636 46.8283 0.0000 173.4755 48 G 3.9943 8.6824 112.5939 45.7769 0.0000 172.4670 49 L 4.4563 7.7158 122.3543 54.8312 43.6330 175.8725 50 F 5.4220 8.9772 127.9138 57.2017 42.5172 172.4108 51 E 5.3284 9.1542 127.4722 54.7693 33.5455 173.6763 52 I 5.0727 9.2548 127.8919 59.6863 40.2550 174.6650 53 T 5.0931 8.7832 116.3783 59.7939 72.4018 172.9809 54 V 4.2927 8.9290 124.0091 61.3631 33.7506 175.4359 55 D 4.2231 9.5878 130.5137 55.3563 38.6339 175.3269 56 G 4.0601 7.9580 107.3002 46.1486 0.0000 172.9819 57 T 4.0608 7.8303 117.8355 62.8523 68.6568 174.0556 58 I 4.3070 8.3811 128.6658 61.4005 37.4929 175.6929 59 I 4.5352 8.7441 118.5233 60.6604 39.6433 175.6817 60 W 5.1157 7.8619 132.7733 56.1875 34.3432 172.6805 61 E 5.1134 9.3103 127.5602 54.4869 32.5536 175.5426 62 R 4.3439 8.9180 127.7500 59.4624 30.1148 178.7477 63 K 3.9066 8.5749 117.9833 59.5986 31.9781 179.5370 64 R 3.9303 8.0365 115.0505 58.3544 29.5440 177.3713 65 D 4.3458 7.5753 116.9069 52.6441 41.7603 175.8588 66 G 3.7048 7.2656 106.3026 46.2988 0.0000 172.7378 67 G 3.9228 6.8482 112.2565 44.0140 0.0000 175.8031 68 F 4.8519 8.5647 123.6918 54.3338 42.0759 172.7464 69 P 3.8641 0.0000 0.0000 61.9187 32.2111 177.0149 70 G 3.9614 8.4354 107.0623 43.6981 0.0000 173.1508 71 P 4.1448 0.0000 0.0000 65.2713 31.2807 178.8229 72 K 3.9183 8.0035 119.2937 59.4509 32.2159 178.5575 73 E 4.2005 8.1160 117.0447 58.7838 29.6088 178.6284 74 L 3.8553 7.7247 121.6396 58.1793 42.2494 178.8717 75 K 4.2767 8.1942 118.4250 59.6200 31.9786 179.4179 76 Q 4.0513 8.3766 118.2935 59.2172 28.5920 179.0470 77 R 4.0625 7.8548 118.8556 59.2100 30.0477 179.3573 78 I 3.5825 7.8412 119.5806 64.2441 37.1131 178.0036 79 R 3.9184 8.3131 120.0088 59.9798 29.6164 177.9144 80 D 4.4047 8.2873 117.1597 57.3667 40.8788 178.4818 81 L 4.1065 7.4145 119.9832 57.6894 42.3408 178.2584 82 I 4.1362 8.0350 110.7659 61.8793 38.1791 175.1142 83 D 4.2296 8.4005 125.3563 54.6037 41.4040 174.3302 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 3 E 8.44 4.29 0.00 1.94 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 2.19 2.34 0.00 4 T 7.84 3.80 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 1.21 0.00 0.00 5 K 9.17 4.42 0.00 1.67 1.75 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.41 7.81 6 P 0.00 5.16 0.00 2.00 1.99 0.00 4.00 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 2.05 1.93 0.00 7 R 9.11 4.94 0.00 1.72 1.81 0.00 3.21 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 8 I 8.77 4.85 1.83 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.53 0.86 0.00 0.00 9 A 8.86 5.12 1.19 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 0.00 0.00 10 I 9.30 4.64 1.86 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 1.14 0.66 0.62 0.00 0.00 11 R 8.71 5.10 0.00 1.73 1.83 0.00 3.23 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 12 Y 8.30 5.56 0.00 3.65 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 C 9.63 4.59 0.00 3.19 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 14 T 8.53 4.08 4.18 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 1.25 0.00 0.00 15 Q 7.87 3.96 0.00 1.91 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 7.16 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 16 C 7.57 3.99 0.00 1.23 1.39 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.41 4.23 0.00 2.83 2.93 0.00 0.00 6.88 8.35 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 18 W 7.86 5.00 0.00 3.92 3.32 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 19 L 7.92 3.18 0.00 1.78 1.69 0.71 0.68 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 20 L 7.98 3.98 0.00 1.78 1.70 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.96 4.14 0.00 1.98 1.93 0.00 2.21 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.61 0.00 22 A 8.05 4.41 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 23 G 8.39 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 24 W 8.20 4.09 0.00 3.37 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *26 A 7.91 4.21 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 27 Q 8.02 3.99 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 28 E 8.18 3.84 0.00 1.46 1.73 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 1.80 1.47 0.00 29 I 7.47 3.83 1.99 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 1.65 0.52 0.96 0.00 0.00 30 L 8.06 4.21 0.00 1.70 1.72 0.92 0.65 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 31 Q 8.15 3.94 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.98 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 32 T 7.55 3.90 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 0.27 0.00 0.00 33 F 8.31 4.84 0.00 3.09 2.97 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 34 A 8.29 4.17 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 35 S 8.19 4.27 0.00 3.91 3.96 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 0.00 0.00 0.00 0.00 36 D 8.16 4.66 0.00 2.81 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 37 I 7.00 4.55 1.85 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 1.26 0.77 0.79 0.00 0.00 38 G 9.16 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 0.00 0.00 0.00 39 E 7.65 4.90 0.00 2.00 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 2.21 2.25 0.00 40 V 8.41 4.81 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 0.82 0.00 0.00 0.92 0.00 0.00 41 S 9.24 4.84 0.00 3.76 3.76 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 42 L 8.57 5.04 0.00 1.62 1.79 0.93 0.82 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 43 I 9.00 4.47 1.87 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 1.24 1.22 0.88 0.00 0.00 44 P 0.00 3.50 0.00 1.79 1.84 0.00 3.59 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.17 0.00 45 S 8.61 4.71 0.00 3.61 3.66 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 0.00 0.00 0.00 0.00 46 T 8.18 4.59 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 1.18 0.00 0.00 47 G 8.49 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 0.00 0.00 0.00 48 G 8.68 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 0.00 0.00 0.00 49 L 7.72 4.46 0.00 1.89 1.66 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.98 5.42 0.00 3.50 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 51 E 9.15 5.33 0.00 2.08 1.73 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 2.21 2.31 0.00 52 I 9.25 5.07 1.98 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 1.17 0.44 0.95 0.00 0.00 53 T 8.78 5.09 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 1.27 0.00 0.00 54 V 8.93 4.29 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 0.98 0.00 0.00 0.86 0.00 0.00 55 D 9.59 4.22 0.00 2.79 2.61 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 56 G 7.96 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 0.00 0.00 0.00 57 T 7.83 4.06 4.33 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 1.20 0.00 0.00 58 I 8.38 4.31 1.86 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 1.47 0.46 0.94 0.00 0.00 59 I 8.74 4.54 1.95 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.79 0.96 0.00 0.00 60 W 7.86 5.12 0.00 3.55 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 61 E 9.31 5.11 0.00 1.89 1.57 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 2.23 2.37 0.00 62 R 8.92 4.34 0.00 2.09 1.94 0.00 2.98 0.00 0.00 2.82 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.57 0.00 63 K 8.57 3.91 0.00 2.03 1.81 0.00 1.73 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.64 7.81 64 R 8.04 3.93 0.00 1.85 2.03 0.00 2.90 0.00 0.00 3.12 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.37 0.00 65 D 7.58 4.35 0.00 1.58 1.54 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 0.00 0.00 0.00 0.00 66 G 7.27 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 67 G 6.85 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 0.00 0.00 0.00 68 F 8.56 4.85 0.00 2.78 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.86 0.00 1.53 0.49 0.00 3.37 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.01 0.00 70 G 8.44 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.14 0.00 2.28 2.30 0.00 3.83 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.33 0.00 72 K 8.00 3.92 0.00 1.86 1.86 0.00 1.74 0.00 0.00 1.89 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.64 1.51 7.81 73 E 8.12 4.20 0.00 2.35 2.26 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 2.46 2.26 0.00 74 L 7.72 3.86 0.00 1.69 1.81 0.84 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.19 4.28 0.00 1.90 1.97 0.00 1.69 0.00 0.00 1.54 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.51 1.65 7.81 76 Q 8.38 4.05 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.55 0.00 77 R 7.85 4.06 0.00 2.09 2.05 0.00 3.45 0.00 0.00 3.46 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.93 0.00 78 I 7.84 3.58 1.68 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 1.22 0.54 0.04 0.00 0.00 79 R 8.31 3.92 0.00 2.26 2.28 0.00 3.33 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.99 0.00 80 D 8.29 4.40 0.00 2.81 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 81 L 7.41 4.11 0.00 1.68 1.73 0.90 1.02 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 82 I 8.04 4.14 1.78 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.65 0.76 0.00 0.00 83 D 8.40 4.23 0.00 2.61 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.