NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6098 8.4249 119.2007 52.8844 40.7676 174.1494 3 K 4.5604 7.7146 116.8276 53.8238 33.6689 174.9545 4 A 4.3067 9.8840 129.5506 52.0621 20.4513 175.8370 5 Q 4.2153 9.3154 120.7132 54.0455 31.5023 174.6620 6 I 4.9995 8.0581 125.4442 59.4035 40.1941 174.6562 7 E 5.2047 9.3775 126.1101 54.5901 32.9144 175.0103 8 I 4.9140 9.0507 124.8906 59.8879 40.4106 173.9422 9 Y 5.2025 9.3854 126.4810 56.4881 39.8435 174.6888 10 Y 5.7999 8.5685 121.9846 54.9843 42.0653 173.8831 11 C 4.6428 10.1846 122.9814 57.1530 44.0100 174.1549 12 R 3.7718 9.3030 129.1002 58.9173 29.6960 176.9329 13 Q 4.4681 7.8209 111.9669 56.1518 29.1493 176.2326 14 C 4.0876 7.6642 115.4575 56.3190 40.4948 172.8046 15 N 4.1002 7.8472 116.5834 55.1263 37.0549 175.5084 16 W 4.8652 7.6725 117.9404 55.2685 29.4948 176.4915 *18 L 4.2675 7.6719 122.3972 54.6279 43.6983 180.0474 19 R 4.2199 7.7411 114.7906 59.2319 29.2945 178.9066 20 S 4.2421 8.0115 115.6400 61.4782 62.8675 176.3358 21 A 4.0051 7.8837 123.0287 54.6532 18.1010 179.3066 22 W 4.1236 8.2926 126.9627 60.8404 30.9541 178.1372 23 L 3.0784 7.7990 118.8284 57.5318 40.9064 179.6155 24 S 4.0307 8.1182 112.9937 61.6202 62.3600 176.3769 25 Q 4.0169 8.0840 120.6518 58.7235 28.3841 178.5117 26 E 3.8864 7.9934 119.9086 59.3179 29.3949 179.4311 27 L 4.1271 7.7469 118.8008 57.9144 41.2475 179.5660 28 L 4.0964 8.1433 119.0128 57.8889 41.2406 179.2048 29 H 4.1974 8.1628 117.6674 59.5605 29.9505 177.2031 30 T 3.8131 7.6864 116.3366 65.1474 68.9833 175.5143 31 F 5.5637 8.5502 119.7359 55.5368 39.6710 177.4544 32 S 4.3351 8.1800 115.9415 60.0361 62.8236 174.7684 33 E 4.5126 8.1597 117.7386 56.3430 30.9276 176.0290 34 E 4.5323 8.1528 117.1938 55.9002 30.3879 175.0683 35 I 4.7444 7.4167 120.2589 59.5167 39.1748 175.0921 36 E 4.2936 9.1524 127.6324 58.8269 30.1085 176.0735 37 Y 4.7491 6.8701 114.1284 56.3879 40.8655 172.6885 38 V 4.9849 8.8417 120.0650 61.1510 34.1729 174.2935 39 A 4.8790 9.6138 129.7405 50.1259 21.8887 174.6306 40 L 5.0444 8.5569 121.9393 53.5601 43.7672 175.7907 41 H 4.7671 9.5332 122.7376 52.9559 30.5287 172.0838 42 P 3.4150 0.0000 0.0000 62.8296 31.8384 175.1753 43 D 5.2036 8.8919 124.6982 52.9104 45.3409 174.6310 44 T 4.5692 9.3408 109.0448 60.3908 70.5094 173.5991 45 G 3.9261 8.1101 108.9842 45.5286 0.0000 174.2953 46 G 4.0917 8.6282 111.2485 46.1007 0.0000 173.0500 47 R 4.5024 7.8924 120.7598 55.9571 31.8191 175.5243 48 F 5.9553 8.7763 128.3030 58.3091 41.7519 171.9183 49 E 5.0879 8.5466 126.5843 54.4091 33.4680 173.6658 50 I 5.0482 8.4493 126.3034 59.5069 40.7081 174.5196 51 F 5.3530 9.4574 124.4000 55.8290 43.1411 173.7705 52 C 4.9361 9.1169 122.0765 57.9325 34.4409 173.7479 53 N 4.2484 10.2768 125.8621 54.3201 36.3767 175.7486 54 G 3.9246 8.5222 105.7919 45.2570 0.0000 174.0626 55 V 4.1468 7.8659 121.0440 61.0806 32.3987 174.6866 56 Q 4.2152 8.9580 129.1831 56.3471 29.0345 175.1565 57 I 4.4623 7.8705 118.2734 60.0685 38.7732 175.2764 58 W 4.2032 7.3193 129.5167 56.8352 34.2473 172.6565 59 E 4.5394 7.3167 127.2897 54.8743 32.0150 174.9111 60 R 4.0787 9.0263 127.8410 59.0757 30.4133 178.4921 61 K 3.8671 8.9016 115.8952 59.4464 32.1105 178.5898 62 Q 3.9890 7.8654 117.7231 59.4800 28.9878 178.0812 63 E 3.8786 8.0816 117.0345 56.0116 29.8168 176.6543 64 G 3.7970 8.1402 107.3141 44.3251 0.0000 174.5094 65 G 3.7562 6.7485 107.0995 45.2187 0.0000 171.7260 66 F 4.7705 8.2435 119.2135 54.5955 41.6430 173.6463 67 P 3.7526 0.0000 0.0000 62.3083 31.8473 176.5487 68 E 4.4346 8.2575 119.2365 55.3989 31.9936 177.6410 69 A 3.7037 8.5949 123.0470 55.2662 18.4640 180.1822 70 K 3.8433 7.9617 117.4590 59.6571 32.4267 178.9981 71 V 3.6365 7.7300 118.0290 65.9601 31.4991 177.5758 72 L 3.9492 7.8145 120.0592 57.9948 41.8199 178.9912 73 K 4.1846 8.0187 118.5160 59.6427 32.0376 179.0901 74 Q 4.0266 8.2450 119.7236 59.3780 28.7937 178.5358 75 R 4.0035 7.9635 117.9993 59.0134 30.3115 178.9599 76 V 3.6108 7.8180 118.3960 65.7178 31.6324 177.9803 77 R 3.7062 8.2014 118.8270 59.5880 29.7464 178.1207 78 D 4.4913 8.0727 116.8536 56.2323 40.8676 177.5523 79 L 4.4739 7.5217 117.7767 54.8087 42.4461 176.9198 80 I 4.1816 6.9865 118.4890 60.0861 37.4937 175.4488 81 D 4.2031 7.7027 125.8187 54.3063 38.5593 176.3014 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 N 8.42 4.61 0.00 2.67 2.90 0.00 0.00 6.92 5.80 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 3 K 7.71 4.56 0.00 1.73 1.78 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.46 7.81 4 A 9.88 4.31 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 9.32 4.22 0.00 1.77 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.71 0.00 0.00 0.00 0.00 0.00 2.00 2.14 0.00 6 I 8.06 5.00 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.64 0.97 0.00 0.00 7 E 9.38 5.20 0.00 2.23 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 8 I 9.05 4.91 1.93 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 1.18 1.02 0.92 0.00 0.00 9 Y 9.39 5.20 0.00 2.97 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 10 Y 8.57 5.80 0.00 3.67 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 C 10.18 4.64 0.00 3.29 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.30 3.77 0.00 1.70 2.01 0.00 3.27 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 13 Q 7.82 4.47 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.90 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 14 C 7.66 4.09 0.00 1.24 1.52 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 15 N 7.85 4.10 0.00 2.83 2.85 0.00 0.00 6.93 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 16 W 7.67 4.87 0.00 3.75 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 *18 L 7.67 4.27 0.00 1.78 1.73 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 19 R 7.74 4.22 0.00 2.08 2.07 0.00 2.21 0.00 0.00 2.30 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.58 0.00 20 S 8.01 4.24 0.00 3.53 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 21 A 7.88 4.01 1.33 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 0.00 0.00 0.00 22 W 8.29 4.12 0.00 3.34 3.39 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 23 L 7.80 3.08 0.00 1.74 1.43 1.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.12 4.03 0.00 3.89 4.01 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 25 Q 8.08 4.02 0.00 2.33 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 26 E 7.99 3.89 0.00 1.81 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 0.00 1.91 1.55 0.00 27 L 7.75 4.13 0.00 1.89 1.83 0.88 0.72 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 28 L 8.14 4.10 0.00 1.71 1.75 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 29 H 8.16 4.20 0.00 3.24 3.43 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 7.69 3.81 3.60 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 0.11 0.00 0.00 31 F 8.55 5.56 0.00 3.09 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 32 S 8.18 4.34 0.00 3.97 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 33 E 8.16 4.51 0.00 1.98 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 2.23 2.30 0.00 34 E 8.15 4.53 0.00 2.14 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 2.31 2.34 0.00 35 I 7.42 4.74 2.03 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 1.23 0.58 0.93 0.00 0.00 36 E 9.15 4.29 0.00 1.87 1.87 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 2.51 2.32 0.00 37 Y 6.87 4.75 0.00 3.04 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 38 V 8.84 4.98 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 0.86 0.00 0.00 0.95 0.00 0.00 39 A 9.61 4.88 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 40 L 8.56 5.04 0.00 1.62 1.87 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 41 H 9.53 4.77 0.00 2.47 3.06 0.00 5.82 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 3.41 0.00 1.95 1.97 0.00 3.65 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 43 D 8.89 5.20 0.00 2.77 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 44 T 9.34 4.57 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 1.22 0.00 0.00 45 G 8.11 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 46 G 8.63 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 47 R 7.89 4.50 0.00 2.09 2.08 0.00 3.17 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.68 0.00 48 F 8.78 5.96 0.00 3.32 2.87 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 49 E 8.55 5.09 0.00 2.10 1.68 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 1.47 2.16 0.00 50 I 8.45 5.05 1.82 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.17 0.89 0.00 0.00 51 F 9.46 5.35 0.00 2.99 2.91 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 0.00 0.00 0.00 52 C 9.12 4.94 0.00 2.87 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 N 10.28 4.25 0.00 2.79 2.82 0.00 0.00 7.19 7.68 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 54 G 8.52 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 55 V 7.87 4.15 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 0.83 0.00 0.00 0.95 0.00 0.00 56 Q 8.96 4.22 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.70 0.00 0.00 0.00 0.00 0.00 2.12 1.66 0.00 57 I 7.87 4.46 1.92 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 1.21 0.87 0.95 0.00 0.00 58 W 7.32 4.20 0.00 3.44 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 59 E 7.32 4.54 0.00 1.88 1.64 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 2.17 2.23 0.00 60 R 9.03 4.08 0.00 2.07 1.97 0.00 2.87 0.00 0.00 2.73 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.97 0.00 61 K 8.90 3.87 0.00 1.72 1.83 0.00 1.79 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.60 7.81 62 Q 7.87 3.99 0.00 1.88 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.07 0.00 0.00 0.00 0.00 0.00 2.12 2.33 0.00 63 E 8.08 3.88 0.00 1.20 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 1.47 1.47 0.00 64 G 8.14 3.80 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 0.00 0.00 0.00 65 G 6.75 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 0.00 0.00 0.00 66 F 8.24 4.77 0.00 2.81 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.75 0.00 1.34 0.49 0.00 3.45 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.92 0.00 68 E 8.26 4.43 0.00 2.05 1.95 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 2.43 2.41 0.00 69 A 8.59 3.70 1.33 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 0.00 0.00 0.00 70 K 7.96 3.84 0.00 1.85 1.84 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.51 7.81 71 V 7.73 3.64 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 1.19 0.00 0.00 1.01 0.00 0.00 72 L 7.81 3.95 0.00 1.57 1.49 0.83 0.33 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 73 K 8.02 4.18 0.00 2.08 1.97 0.00 1.68 0.00 0.00 1.45 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.68 7.81 74 Q 8.24 4.03 0.00 2.18 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 75 R 7.96 4.00 0.00 1.89 2.02 0.00 3.52 0.00 0.00 3.28 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.94 0.00 76 V 7.82 3.61 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 0.30 0.00 0.00 0.90 0.00 0.00 77 R 8.20 3.71 0.00 2.24 2.15 0.00 3.24 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 78 D 8.07 4.49 0.00 2.70 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 79 L 7.52 4.47 0.00 1.69 1.65 0.90 0.87 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 80 I 6.99 4.18 1.70 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.52 0.83 0.00 0.00 81 D 7.70 4.20 0.00 2.76 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 * Residues marked with a * may have inaccurate shift predictions.