NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 N 4.6815 8.2833 118.2062 52.2232 39.0917 176.0941 10 T 3.3882 8.0584 117.8439 67.1437 68.5739 173.2861 11 D 4.3472 8.9093 121.0624 57.8572 41.4646 178.4257 12 E 4.2003 8.1452 118.5515 59.0972 29.4821 178.9584 13 L 4.0680 7.8666 118.7611 57.9374 41.6538 179.2673 14 K 3.8747 8.1944 119.1211 60.1033 31.9308 178.0652 15 Q 3.8914 7.3706 114.9234 59.8206 28.7496 179.2563 16 K 3.9300 8.4629 120.9090 58.7795 32.4625 177.7850 17 Y 4.7472 8.2129 113.9428 57.4413 39.1284 175.8867 18 G 3.9746 9.4391 115.0984 43.5348 0.0000 173.8225 19 R 4.3392 8.1047 123.1740 53.7697 31.4253 175.5281 20 V 4.8374 7.9253 122.2118 61.3040 34.5285 174.2152 21 Y 4.8705 9.1312 121.4018 56.2998 41.8843 174.0359 22 E 5.0154 9.1289 124.2979 54.9447 31.9973 175.2961 23 I 4.6106 8.7344 126.1995 59.7719 40.9841 174.8619 24 R 4.6887 8.7699 126.4335 56.0514 31.2356 176.3085 25 I 4.8375 9.3944 123.0314 59.9595 42.0022 174.2460 26 E 4.7600 8.4697 124.0285 55.4896 32.7741 173.6425 27 G 3.8959 8.2876 113.3853 45.9702 0.0000 174.0149 *36 A 4.3359 7.0671 121.0251 50.9707 20.1550 175.7612 37 E 4.3551 7.8131 116.7214 54.6101 31.5476 176.1800 38 F 4.7338 9.1629 124.3489 55.6029 43.4968 174.1385 39 V 4.5766 7.8899 121.3185 61.3881 33.8356 174.3579 40 F 5.2802 8.7397 126.1222 55.0906 42.8113 174.2203 41 Y 5.9628 7.9689 116.1013 55.5777 42.3207 174.6456 42 F 5.3160 8.7967 119.3273 55.9107 43.7357 174.2800 43 T 4.4650 8.7731 119.9251 63.3379 69.0655 174.5515 44 R 3.6789 8.7600 125.5879 55.5654 30.7589 174.8008 45 P 4.4779 0.0000 0.0000 62.4601 32.2826 175.4161 46 K 4.6154 9.1462 121.5068 54.1096 34.8667 177.1505 47 V 3.5663 8.4888 122.8459 66.5635 31.3162 178.5368 48 S 4.1172 8.0557 113.9488 61.9066 62.7127 176.0892 49 D 4.4449 8.0729 121.3554 57.4827 40.4300 179.2774 50 I 3.8147 7.5175 119.7543 64.1873 37.3958 177.8824 51 S 4.1270 8.2248 115.5547 61.8276 62.6245 176.3877 52 R 3.8676 7.8288 122.2775 58.9995 29.6853 177.8924 53 F 4.1671 8.5031 120.4862 61.9422 39.0415 177.2203 54 T 3.8837 7.9931 114.2280 65.9857 68.0923 176.9687 55 K 4.0788 8.3519 120.9936 59.6948 32.1484 179.2916 56 E 3.7154 8.0251 118.4891 59.0189 29.1333 178.7726 57 L 3.4848 7.5449 120.0157 58.1747 41.8875 178.6664 58 N 4.4715 7.2859 114.8064 55.8692 38.9281 177.2540 59 S 4.3056 7.8139 112.4213 60.1255 64.3362 174.6667 60 K 4.5800 7.9077 121.8464 52.6208 32.1559 174.9385 61 P 4.3372 0.0000 0.0000 65.4121 31.2750 177.8141 62 D 4.4955 8.2387 118.7402 57.3598 38.8527 178.6787 63 M 4.1857 10.6600 119.9231 56.4383 32.0656 178.4530 64 A 4.0649 8.3651 121.8480 55.7342 18.5516 179.6752 65 M 4.2813 7.9060 116.8886 58.2433 32.1195 178.7768 66 K 3.9593 8.0364 119.6922 59.9818 32.2223 178.6418 67 N 4.5545 8.3945 115.3479 56.1443 38.7338 176.8026 68 L 4.0502 7.9249 122.0964 58.4143 42.1878 178.8088 69 T 3.7058 7.8654 114.8255 67.0589 68.3448 176.5123 70 F 4.4157 8.2965 117.9972 59.4865 38.9908 176.8759 71 S 4.7623 7.8770 112.5573 58.5165 63.3400 174.3324 72 C 4.7891 7.8656 119.3514 59.7148 30.5169 173.9609 73 I 3.3432 7.8264 119.5474 60.9136 37.9112 175.7540 74 V 3.3087 7.8785 120.9728 60.7373 32.0021 175.4629 75 P 3.8563 0.0000 0.0000 65.6597 31.2402 177.7797 76 E 3.8990 7.6572 119.8732 59.7231 29.0618 178.0025 77 Q 4.4183 8.9163 117.6363 56.5230 28.9754 176.8247 78 E 4.0904 8.0664 120.3988 59.1465 29.5689 178.3542 79 E 3.9984 8.1936 119.1913 59.2057 30.0697 177.5154 80 E 4.0958 8.4253 118.8840 59.6477 29.4393 178.7350 81 L 3.6714 7.8710 119.1063 58.1466 42.0427 179.1355 82 R 4.2064 7.9408 117.8176 59.1324 29.8659 178.7420 83 Q 4.0489 8.8864 119.5892 59.3598 29.0385 178.4799 84 A 4.1087 8.0676 121.4796 54.9284 17.8968 179.4845 85 A 4.0371 8.2882 119.6728 55.2311 18.2942 179.3056 86 E 3.9482 7.7313 116.5117 59.7658 29.8929 178.8828 87 E 4.3137 8.4897 116.7923 57.9540 30.7957 177.6704 88 F 4.7251 8.8745 118.5091 54.1568 40.1411 172.0773 89 P 4.4632 0.0000 0.0000 63.2434 31.7402 177.9483 90 G 3.9550 8.9003 107.0435 45.9625 0.0000 175.3869 91 L 3.9628 7.9174 122.2694 58.4291 42.0989 178.9208 92 T 4.2836 7.8848 110.4591 63.7671 68.1361 175.7266 93 F 3.8950 7.6986 121.3226 61.4619 39.1611 176.7810 94 N 4.3457 8.3669 116.4501 56.7412 38.7677 176.7441 95 T 3.7818 7.7666 110.0729 64.8577 69.5110 176.8625 96 A 3.5916 7.7790 124.7627 54.2888 18.3770 179.5038 97 S 3.7848 7.4474 110.4987 61.5598 62.3030 176.3284 98 R 3.7604 7.0388 121.2472 58.6040 29.9372 178.1899 99 L 3.7672 8.3420 119.9676 57.9055 41.5306 179.4048 100 M 3.7688 7.6287 118.3270 58.4930 31.6313 178.5118 101 E 4.5773 8.7556 121.1367 58.7866 29.3111 179.3557 102 I 3.8426 7.5279 118.0030 63.5934 38.1726 177.8873 103 V 3.8319 7.5348 112.3229 61.9576 31.6444 177.9423 104 G 4.9111 7.5910 119.2134 46.6766 0.0000 171.9043 105 A 3.9564 7.2942 122.8578 53.3626 17.6888 176.2178 106 S 4.5686 7.8531 116.5431 58.8463 66.9375 175.6303 107 A 3.9871 8.6232 123.6974 53.2173 18.3644 176.7595 108 A 4.6623 8.1121 123.3384 51.2983 22.4285 174.4302 109 T 4.8115 8.0048 113.7860 62.5538 72.4562 173.5729 110 S 4.7066 8.1503 116.2690 57.9622 66.7077 174.4639 111 L 4.4568 8.2436 121.9638 54.8931 45.5681 176.0651 112 K 4.2073 8.8394 121.6571 56.6391 31.3665 176.2230 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 9 N 8.28 4.68 0.00 3.00 3.08 0.00 0.00 6.09 6.34 0.00 0.00 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 T 8.06 3.39 4.12 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 1.13 0.00 0.00 11 D 8.91 4.35 0.00 2.74 2.67 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 12 E 8.15 4.20 0.00 2.04 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 2.29 2.31 0.00 13 L 7.87 4.07 0.00 1.69 1.72 0.41 0.91 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 14 K 8.19 3.87 0.00 1.90 1.78 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.60 7.81 15 Q 7.37 3.89 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 16 K 8.46 3.93 0.00 1.50 1.55 0.00 1.46 0.00 0.00 1.10 0.00 0.00 2.15 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.44 1.09 7.81 17 Y 8.21 4.75 0.00 3.06 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 18 G 9.44 3.97 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 0.00 0.00 0.00 19 R 8.10 4.34 0.00 1.84 1.91 0.00 3.11 0.00 0.00 3.37 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 20 V 7.93 4.84 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 0.96 0.00 0.00 1.02 0.00 0.00 21 Y 9.13 4.87 0.00 3.11 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 22 E 9.13 5.02 0.00 2.32 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 1.93 2.24 0.00 23 I 8.73 4.61 2.09 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.74 0.95 0.00 0.00 24 R 8.77 4.69 0.00 1.69 1.97 0.00 3.30 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 25 I 9.39 4.84 2.04 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 1.30 0.80 0.95 0.00 0.00 26 E 8.47 4.76 0.00 1.76 1.77 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 2.17 2.37 0.00 27 G 8.29 3.90 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 0.00 0.00 0.00 *36 A 7.07 4.34 1.17 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 0.00 0.00 37 E 7.81 4.36 0.00 1.84 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 2.10 2.36 0.00 38 F 9.16 4.73 0.00 2.92 2.44 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 0.00 39 V 7.89 4.58 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 0.45 0.00 0.00 0.82 0.00 0.00 40 F 8.74 5.28 0.00 3.04 2.38 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.97 5.96 0.00 2.85 2.73 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 42 F 8.80 5.32 0.00 3.09 2.84 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 43 T 8.77 4.46 4.37 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 1.27 0.00 0.00 44 R 8.76 3.68 0.00 1.90 1.95 0.00 3.34 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 45 P 0.00 4.48 0.00 1.93 1.83 0.00 3.42 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.85 0.00 46 K 9.15 4.62 0.00 1.67 1.62 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.49 7.81 47 V 8.49 3.57 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 1.11 0.00 0.00 0.93 0.00 0.00 48 S 8.06 4.12 0.00 3.92 3.91 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 49 D 8.07 4.44 0.00 2.82 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 50 I 7.52 3.81 2.02 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.70 0.93 0.00 0.00 51 S 8.22 4.13 0.00 4.04 4.17 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 52 R 7.83 3.87 0.00 2.02 2.30 0.00 3.15 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.68 0.00 53 F 8.50 4.17 0.00 3.18 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 54 T 7.99 3.88 4.42 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 1.21 0.00 0.00 55 K 8.35 4.08 0.00 1.88 1.83 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.66 7.81 56 E 8.03 3.72 0.00 1.93 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 2.30 2.28 0.00 57 L 7.54 3.48 0.00 1.25 1.47 0.29 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 58 N 7.29 4.47 0.00 2.53 2.81 0.00 0.00 6.99 7.45 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 59 S 7.81 4.31 0.00 3.83 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 60 K 7.91 4.58 0.00 1.78 1.82 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.32 7.81 61 P 0.00 4.34 0.00 2.25 2.41 0.00 3.69 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 62 D 8.24 4.50 0.00 3.00 3.03 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 63 M 10.66 4.19 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.71 0.00 64 A 8.37 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 M 7.91 4.28 0.00 2.11 2.39 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.75 0.00 66 K 8.04 3.96 0.00 1.98 1.93 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.83 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.76 1.94 7.81 67 N 8.39 4.55 0.00 2.92 2.94 0.00 0.00 7.08 8.71 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 68 L 7.92 4.05 0.00 1.93 1.86 0.75 0.13 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 69 T 7.87 3.71 4.20 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 0.95 0.00 0.00 70 F 8.30 4.42 0.00 3.20 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 71 S 7.88 4.76 0.00 4.07 4.08 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 72 C 7.87 4.79 0.00 3.11 3.27 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 73 I 7.83 3.34 1.68 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.46 1.00 0.00 0.00 74 V 7.88 3.31 1.75 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 0.21 0.00 0.00 0.95 0.00 0.00 75 P 0.00 3.86 0.00 2.29 2.39 0.00 3.52 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.15 0.00 76 E 7.66 3.90 0.00 2.23 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 0.00 2.40 2.39 0.00 77 Q 8.92 4.42 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.57 0.00 0.00 0.00 0.00 0.00 2.70 2.51 0.00 78 E 8.07 4.09 0.00 2.17 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 2.39 2.51 0.00 79 E 8.19 4.00 0.00 2.17 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 2.41 2.49 0.00 80 E 8.43 4.10 0.00 2.22 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 0.00 2.81 2.65 0.00 81 L 7.87 3.67 0.00 1.32 1.75 -0.09 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 82 R 7.94 4.21 0.00 1.95 2.01 0.00 3.06 0.00 0.00 2.74 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 83 Q 8.89 4.05 0.00 2.34 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 84 A 8.07 4.11 0.97 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 0.00 0.00 85 A 8.29 4.04 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 86 E 7.73 3.95 0.00 2.10 2.20 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 2.36 2.44 0.00 87 E 8.49 4.31 0.00 2.43 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 2.42 2.58 0.00 88 F 8.87 4.73 0.00 3.13 2.98 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 0.00 0.00 0.00 89 P 0.00 4.46 0.00 2.18 2.10 0.00 3.36 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 90 G 8.90 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 91 L 7.92 3.96 0.00 2.08 1.59 0.82 0.43 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 92 T 7.88 4.28 4.31 0.00 0.00 0.00 0.00 0.00 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 93 F 7.70 3.89 0.00 3.27 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 94 N 8.37 4.35 0.00 3.09 2.76 0.00 0.00 7.03 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.77 3.78 3.77 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 1.14 0.00 0.00 96 A 7.78 3.59 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 97 S 7.45 3.78 0.00 3.75 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 98 R 7.04 3.76 0.00 1.81 1.79 0.00 3.16 0.00 0.00 3.18 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.47 0.00 99 L 8.34 3.77 0.00 1.40 1.33 0.35 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 100 M 7.63 3.77 0.00 1.82 1.95 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.11 0.00 101 E 8.76 4.58 0.00 1.92 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 2.37 2.23 0.00 102 I 7.53 3.84 1.74 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 1.08 0.38 0.63 0.00 0.00 103 V 7.53 3.83 1.99 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 0.66 0.00 0.00 0.89 0.00 0.00 104 G 7.59 4.91 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 0.00 0.00 0.00 105 A 7.29 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 0.00 106 S 7.85 4.57 0.00 3.78 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 0.00 107 A 8.62 3.99 1.23 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 0.00 0.00 0.00 108 A 8.11 4.66 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 0.00 109 T 8.00 4.81 4.24 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 1.21 0.00 0.00 110 S 8.15 4.71 0.00 3.81 3.71 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 0.00 111 L 8.24 4.46 0.00 1.56 1.52 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.84 4.21 0.00 1.82 2.11 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.29 1.37 7.81 * Residues marked with a * may have inaccurate shift predictions.