NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 S 4.4728 8.3344 115.5549 57.8103 65.6042 173.0205 11 L 3.6814 8.1654 124.1273 54.7781 41.8100 174.0415 12 D 5.0272 9.3698 127.8711 52.9832 42.3628 174.9672 13 L 4.4937 8.9557 127.0140 54.4099 42.3399 176.6919 14 H 4.1790 8.0960 115.7314 56.7798 28.7715 176.0715 15 G 3.8869 8.8222 109.6120 45.7562 0.0000 173.3414 16 L 4.4724 7.1904 119.2567 53.4458 43.1337 177.0231 17 H 4.3668 8.4674 118.0873 55.8506 30.5514 176.9303 18 V 3.5813 8.3755 123.9832 66.2213 31.4216 178.1340 19 D 4.3177 8.0508 118.3450 56.5244 39.1696 178.1052 20 E 3.8100 8.1311 120.0604 58.7496 29.6910 178.2659 21 A 3.9894 8.2928 121.2427 55.4205 18.3642 179.7004 22 L 3.6584 8.0483 117.2806 57.3104 41.5975 179.3380 23 E 3.7918 7.9490 119.6209 59.5069 29.5017 178.5492 24 H 4.1027 8.0591 116.1529 58.6954 28.6955 177.2765 25 L 3.7628 7.8933 122.2643 58.4200 41.7964 178.7663 26 M 3.9141 7.8773 117.9438 58.6687 32.2200 178.3414 27 R 3.8963 7.8575 118.1285 59.2556 30.1901 179.2906 28 V 3.5705 8.0247 118.2451 65.9485 31.4784 177.8898 29 L 3.9489 8.0935 119.0542 57.8441 41.5149 179.1538 30 E 3.9753 8.3372 119.0966 59.1200 29.4986 178.7533 31 K 3.9102 8.1647 119.4868 59.6522 32.2987 178.8837 32 K 4.2621 8.2886 120.3854 59.2468 31.8682 179.5797 33 T 4.0136 8.2857 116.2071 66.6261 68.2869 176.4608 34 E 3.9346 8.2579 121.2144 59.3074 29.2763 178.5494 35 E 3.9984 8.6032 119.0576 59.4456 29.2929 179.2781 36 F 4.1982 8.3728 119.9276 61.3030 39.6500 177.1867 37 K 3.9637 8.7198 117.2721 58.7898 31.8355 177.7031 38 Q 4.4136 7.7700 115.9239 55.5345 31.2139 174.1711 39 N 5.0555 8.2907 115.6572 51.7062 42.1097 173.7327 40 G 4.1578 8.9459 104.7147 44.5305 0.0000 172.6588 41 G 4.2092 7.5036 110.4663 44.9170 0.0000 172.0451 42 K 4.2934 8.3504 121.3050 55.2280 33.3958 175.2183 43 P 4.4070 0.0000 0.0000 64.4352 32.4137 175.0393 44 Y 5.1317 6.7189 116.0395 55.5885 41.7170 173.6314 45 L 4.7811 9.3570 121.4850 53.2691 45.2481 174.7781 46 S 5.0732 8.7362 120.8717 57.2332 64.2981 172.4837 47 V 4.7900 9.0349 127.4348 61.1528 34.1342 174.2047 48 I 4.7246 9.0304 130.5279 61.0738 37.6902 176.6200 49 T 4.2876 8.9403 117.9650 61.5320 70.0156 174.3867 50 G 3.7550 8.2189 107.1350 44.2006 0.0000 172.0943 51 R 3.9719 7.9175 114.5166 54.6397 30.4734 177.0588 52 G 3.7529 7.6204 105.5758 45.4130 0.0000 171.0715 *55 S 4.1818 7.6932 114.7313 58.4918 64.5104 174.6807 56 Q 4.4298 8.6091 123.8100 55.0426 29.7516 175.6900 57 G 4.0937 8.2087 108.4426 46.6459 0.0000 173.2277 58 G 3.9152 7.2219 110.6929 45.9558 0.0000 173.8748 59 V 4.2092 8.6797 124.8131 60.6826 33.1351 174.4594 60 A 4.6813 8.5046 129.8112 50.9069 20.5831 177.0195 61 R 4.3715 8.3846 121.6060 57.4422 30.8602 178.8702 62 I 3.6556 7.6839 119.6922 64.2941 37.1087 177.9217 63 K 3.8779 7.9438 119.5245 59.1951 32.0981 176.8578 64 P 4.2603 0.0000 0.0000 65.3912 31.2615 178.3795 65 A 3.9935 8.0893 119.6085 55.1400 18.2502 179.8392 66 V 3.4673 7.9895 116.8949 66.2415 31.6271 178.1616 67 I 3.3208 7.9818 119.9139 64.3104 36.9709 178.3505 68 K 3.9996 8.4771 120.7645 59.5296 31.7920 178.2779 69 Y 3.9653 8.2305 119.9315 60.6218 38.7203 177.9693 70 L 4.1616 8.1986 120.0932 57.9016 41.6042 179.6612 71 I 3.9043 8.0349 119.7440 64.6454 36.9145 178.6508 72 S 4.1104 8.0041 114.5551 61.0257 62.5259 175.5678 73 H 4.6971 7.4369 116.6651 54.3832 29.4484 174.4679 74 S 3.7658 8.1714 115.3104 59.6044 60.8015 172.6213 75 F 4.5092 8.5798 117.9289 57.1663 40.1530 176.5186 76 R 4.5897 8.7660 121.9622 55.6825 31.3686 175.4893 77 F 5.6104 8.2117 117.5944 55.9945 41.2421 173.1554 78 S 4.5035 8.8696 112.5730 57.1719 66.8499 172.9223 79 E 4.3903 8.6807 123.1159 55.4537 27.9521 175.4184 80 I 3.7970 8.2154 119.5944 62.1595 38.5191 177.1754 81 K 4.1547 8.0243 117.0877 54.1323 33.3187 174.9765 82 P 4.2880 0.0000 0.0000 64.6018 31.3832 176.1604 83 G 3.8728 9.2542 108.1816 46.1622 0.0000 172.1812 84 C 5.0909 8.0627 119.8851 57.5911 34.7787 172.6863 85 L 4.9309 9.0834 127.3805 53.3730 43.7593 175.7778 86 K 4.7912 9.0796 125.4433 55.0286 33.8902 174.8161 87 V 4.7891 8.8041 129.2988 61.3806 33.3527 174.3738 88 M 4.6708 8.8813 129.0626 55.2713 32.7248 175.7074 89 L 4.2661 8.5266 126.8453 55.2589 42.8051 177.1494 90 K 4.0875 8.8083 122.7357 57.0415 33.2273 174.4129 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 10 S 8.33 4.47 0.00 3.89 4.03 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 11 L 8.17 3.68 0.00 1.70 1.56 0.85 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 12 D 9.37 5.03 0.00 2.66 2.55 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 13 L 8.96 4.49 0.00 1.76 1.62 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 14 H 8.10 4.18 0.00 3.28 3.30 0.00 5.62 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.82 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 0.00 0.00 0.00 16 L 7.19 4.47 0.00 1.66 1.59 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.47 4.37 0.00 3.19 3.39 0.00 5.82 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.38 3.58 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 1.08 0.00 0.00 0.92 0.00 0.00 19 D 8.05 4.32 0.00 2.93 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 20 E 8.13 3.81 0.00 2.04 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 0.00 2.42 2.29 0.00 21 A 8.29 3.99 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 22 L 8.05 3.66 0.00 1.59 1.46 0.94 0.53 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 23 E 7.95 3.79 0.00 2.09 1.96 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 2.19 2.26 0.00 24 H 8.06 4.10 0.00 3.31 3.25 0.00 5.69 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.89 3.76 0.00 1.62 1.44 0.72 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 26 M 7.88 3.91 0.00 2.01 1.86 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.61 0.00 27 R 7.86 3.90 0.00 2.09 1.95 0.00 3.21 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 28 V 8.02 3.57 2.11 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 1.09 0.00 0.00 0.93 0.00 0.00 29 L 8.09 3.95 0.00 1.91 1.76 0.41 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.34 3.98 0.00 2.18 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 0.00 2.35 2.37 0.00 31 K 8.16 3.91 0.00 1.94 2.00 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.49 7.81 32 K 8.29 4.26 0.00 1.85 1.86 0.00 1.74 0.00 0.00 2.02 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.58 1.48 7.81 33 T 8.29 4.01 4.41 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 1.34 0.00 0.00 34 E 8.26 3.93 0.00 2.15 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 0.00 2.33 2.42 0.00 35 E 8.60 4.00 0.00 2.22 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 2.36 2.57 0.00 36 F 8.37 4.20 0.00 3.07 3.36 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 37 K 8.72 3.96 0.00 2.00 1.89 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.77 7.81 38 Q 7.77 4.41 0.00 1.93 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.62 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 39 N 8.29 5.06 0.00 2.64 2.77 0.00 0.00 6.98 7.60 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 40 G 8.95 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.50 4.21 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 0.00 0.00 0.00 42 K 8.35 4.29 0.00 1.52 1.38 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.39 7.81 43 P 0.00 4.41 0.00 2.20 2.19 0.00 3.11 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 44 Y 6.72 5.13 0.00 3.02 2.92 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 45 L 9.36 4.78 0.00 1.68 1.51 0.90 0.88 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 46 S 8.74 5.07 0.00 4.06 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 47 V 9.03 4.79 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 0.89 0.00 0.00 0.85 0.00 0.00 48 I 9.03 4.72 1.99 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 1.28 0.53 0.99 0.00 0.00 49 T 8.94 4.29 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 1.17 0.00 0.00 50 G 8.22 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 51 R 7.92 3.97 0.00 1.92 1.92 0.00 3.29 0.00 0.00 3.23 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 52 G 7.62 3.75 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 0.00 0.00 0.00 *55 S 7.69 4.18 0.00 4.02 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 56 Q 8.61 4.43 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 57 G 8.21 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 58 G 7.22 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 59 V 8.68 4.21 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 0.85 0.00 0.00 0.93 0.00 0.00 60 A 8.50 4.68 1.24 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 0.00 0.00 0.00 0.00 0.00 61 R 8.38 4.37 0.00 1.82 1.97 0.00 3.30 0.00 0.00 3.33 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 62 I 7.68 3.66 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 1.51 0.70 0.89 0.00 0.00 63 K 7.94 3.88 0.00 1.82 1.80 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.52 7.81 64 P 0.00 4.26 0.00 2.20 2.10 0.00 3.71 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 2.21 2.16 0.00 65 A 8.09 3.99 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 66 V 7.99 3.47 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 0.92 0.00 0.00 0.87 0.00 0.00 67 I 7.98 3.32 2.08 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 1.34 0.58 1.10 0.00 0.00 68 K 8.48 4.00 0.00 1.93 2.00 0.00 1.55 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.52 7.81 69 Y 8.23 3.97 0.00 3.25 3.08 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 0.00 0.00 0.00 0.00 70 L 8.20 4.16 0.00 1.47 1.63 0.23 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.03 3.90 2.06 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.14 0.97 0.00 0.00 72 S 8.00 4.11 0.00 3.57 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 73 H 7.44 4.70 0.00 3.30 3.27 0.00 5.81 0.00 0.00 0.00 0.00 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.17 3.77 0.00 3.87 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 75 F 8.58 4.51 0.00 3.19 3.10 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 76 R 8.77 4.59 0.00 1.85 1.88 0.00 3.13 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 77 F 8.21 5.61 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 78 S 8.87 4.50 0.00 3.81 3.86 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 0.00 0.00 0.00 0.00 79 E 8.68 4.39 0.00 2.08 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 2.23 2.47 0.00 80 I 8.22 3.80 1.84 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 1.22 0.54 0.86 0.00 0.00 81 K 8.02 4.15 0.00 1.84 1.77 0.00 1.70 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.42 7.81 82 P 0.00 4.29 0.00 2.17 2.08 0.00 3.89 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 83 G 9.25 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 0.00 0.00 0.00 84 C 8.06 5.09 0.00 2.98 2.96 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 85 L 9.08 4.93 0.00 1.56 1.61 0.75 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 86 K 9.08 4.79 0.00 1.72 1.57 0.00 1.34 0.00 0.00 1.22 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.72 1.09 7.81 87 V 8.80 4.79 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 0.59 0.00 0.00 0.84 0.00 0.00 88 M 8.88 4.67 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.54 0.00 89 L 8.53 4.27 0.00 0.91 1.33 0.86 0.81 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 90 K 8.81 4.09 0.00 1.98 1.89 0.00 2.10 0.00 0.00 1.85 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.52 7.81 * Residues marked with a * may have inaccurate shift predictions.