NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.3994 8.3349 115.4114 57.8813 65.0224 173.7815 9 K 4.0804 7.7297 120.6587 52.7096 30.7075 173.5006 *11 P 4.2231 0.0000 0.0000 61.8585 35.1728 175.6449 12 L 4.9418 7.6395 121.3614 54.1753 44.0409 174.7159 13 M 4.9827 9.1556 126.4116 53.4058 35.9671 175.2039 14 V 4.8742 8.1808 119.9257 61.1317 35.2572 174.4853 15 K 5.0217 8.9926 125.9953 54.6815 36.0553 175.3755 16 V 4.8604 8.8684 124.5345 61.0464 34.8822 174.2005 17 L 5.1077 8.9122 126.8881 52.9460 45.7959 174.8537 18 D 5.2229 9.0346 121.5200 52.7440 42.4111 176.6551 19 A 4.2792 9.2721 128.6854 53.8905 18.5259 178.5610 20 V 3.9170 8.5075 114.6156 65.1328 32.0783 177.1086 21 R 4.2169 8.8329 117.1242 55.9862 30.8502 176.1842 22 G 3.8906 8.2948 105.5347 45.7733 0.0000 172.5376 23 S 4.7301 7.3550 111.3654 55.9862 67.1489 172.8372 24 P 4.5920 0.0000 0.0000 62.6704 32.0440 176.6333 25 A 4.3116 8.6543 125.2768 50.4518 19.0290 176.6024 26 V 4.0780 8.4208 121.5150 63.2090 33.1069 175.2872 27 D 4.4329 8.6378 125.2357 55.2809 39.0975 174.1050 28 V 3.8397 7.7835 119.4113 62.5483 32.7431 174.8432 29 A 4.6220 8.6589 130.3506 51.8112 19.7861 175.9153 30 V 4.7998 9.0788 122.9089 60.8966 34.7113 174.4240 31 K 4.6939 8.9068 126.5277 54.4355 35.5956 175.1263 32 V 4.8653 8.6667 124.7097 61.1124 34.2548 174.3370 33 F 5.5304 9.3792 125.4744 55.5752 43.3568 173.7531 34 K 4.7400 9.0848 122.0517 54.3458 34.9806 175.2417 35 K 4.3386 9.0215 128.9820 56.2939 33.2649 176.2566 36 T 4.4447 7.7938 115.7103 59.5294 71.2282 175.6375 37 S 4.0442 8.5618 117.1906 61.8990 62.7152 176.3666 38 E 3.9555 7.9222 117.5861 57.8401 29.3895 177.4797 39 G 3.7223 7.8185 106.9886 45.3371 0.0000 173.1780 40 S 4.5552 7.6407 113.1046 55.8094 66.3713 173.2184 41 W 5.1060 8.4453 121.4491 55.7696 29.4777 175.5123 42 E 4.8241 8.8952 124.0210 54.0503 31.4057 174.0909 43 P 4.4321 0.0000 0.0000 63.3466 31.6325 175.0438 44 F 4.8862 8.9747 124.9035 59.5227 41.5627 174.7543 45 A 4.5906 7.6780 117.5569 51.4052 22.4528 174.7154 46 S 4.7432 7.8016 112.1668 57.8595 66.0722 173.9710 47 G 4.0127 8.1209 106.8426 46.2756 0.0000 171.9877 48 K 5.3155 8.5097 118.0442 54.2504 35.9688 176.9656 49 T 4.1174 8.4698 113.8147 61.9491 70.1947 174.8570 50 A 4.7671 8.5621 127.2535 51.3953 20.3834 177.7713 51 E 4.0259 8.6472 115.5061 59.4141 29.5453 178.7801 52 S 4.1462 7.9648 112.0002 59.2312 63.5008 175.2551 53 G 3.9270 8.4003 109.9986 44.6731 0.0000 172.3968 54 E 5.0177 7.7824 118.8417 54.3157 32.7874 174.8076 55 L 4.7861 8.8577 124.7509 53.7857 44.5790 175.0980 56 H 5.0183 8.7590 122.6017 54.4356 32.1645 174.0538 57 G 3.8549 8.7266 105.6904 46.5898 0.0000 175.1990 58 L 3.9719 7.9434 121.7889 57.5722 41.8101 176.5398 59 T 4.3259 7.0374 109.8471 61.5592 69.9777 171.3551 60 T 4.8128 8.0266 110.2346 59.5098 72.0022 174.3679 61 D 4.6661 8.8392 121.5772 57.7060 41.0382 178.2962 62 E 4.2018 8.2338 117.4303 59.1623 29.7359 178.2743 63 K 4.3165 7.8690 117.5876 58.8261 32.7297 177.8110 64 F 5.0427 8.6138 122.6747 57.5003 37.3290 174.7060 65 V 4.0992 7.6188 117.7707 59.4898 33.1732 175.6369 66 E 4.1010 8.6866 122.1731 56.0793 29.9633 176.4496 67 G 3.7539 7.6753 112.6629 46.4467 0.0000 170.6994 68 V 4.5899 7.1886 119.5206 61.6609 33.0232 174.3549 69 Y 5.0864 8.5722 125.4864 56.0955 41.6624 174.7478 70 R 4.6348 8.9920 121.7717 54.6257 33.2005 174.0204 71 V 4.7094 8.9203 127.4880 61.2645 33.7258 173.7565 72 E 4.8718 9.2174 130.0772 54.4200 31.9773 174.2914 73 L 4.7587 8.7674 127.9507 53.4202 43.5222 176.5679 74 D 5.2071 8.9651 125.7657 53.7010 38.1441 176.6157 75 T 3.9086 7.8946 114.7639 63.8556 69.4336 176.6894 76 K 4.1212 8.1223 122.2127 59.7012 32.4069 178.7718 77 S 4.1754 8.3857 115.4426 61.5997 62.8175 175.8629 78 Y 3.9350 7.7189 122.1136 60.7167 38.5217 178.4843 79 W 4.3740 8.1579 119.5374 59.7258 29.1889 178.6990 80 K 4.2514 8.2450 119.7987 59.3332 31.2622 179.4865 81 T 3.9074 7.7857 114.9879 66.1038 68.3143 175.5631 82 L 4.4626 7.0636 117.4923 54.1099 41.7083 177.2413 83 G 3.9399 7.9870 106.4502 46.0082 0.0000 173.5937 84 I 4.4159 7.8313 120.1790 59.1718 39.3607 175.3765 85 S 4.5868 8.5717 121.4970 56.7944 62.2267 172.2899 86 P 4.3128 0.0000 0.0000 61.2204 32.8857 176.3539 87 F 3.9000 8.1974 121.1831 61.1096 39.3388 175.7103 88 H 4.4777 7.7897 115.5682 54.7542 29.6504 175.4277 89 E 3.9540 8.3888 121.9985 59.1161 29.5011 176.4350 90 F 4.7763 6.8257 110.5486 56.8948 40.5789 172.9316 91 A 4.6263 8.4971 120.3787 50.0858 21.0090 175.0735 92 D 5.4942 9.0445 121.5608 51.6815 42.9160 175.6461 93 V 4.5444 8.8078 119.4895 61.2616 34.5746 174.2076 94 V 5.0817 8.5973 127.6626 61.1864 33.7899 174.3302 95 F 5.0577 8.5204 120.9138 56.2589 41.5487 173.0206 96 T 4.8177 8.7120 116.9873 62.8931 69.6419 174.0444 97 A 4.5385 8.8537 127.7266 50.5784 22.2131 175.9777 98 N 4.9574 9.3061 116.5822 53.5209 36.8792 175.8666 99 D 4.6810 8.4021 120.0465 55.4250 40.0108 176.4471 100 S 4.5116 7.8329 114.4235 55.3957 62.8046 173.7531 101 G 4.1158 8.2302 113.8106 46.6028 0.0000 169.5469 102 H 4.8625 8.5403 120.1690 55.4928 30.5061 174.5921 103 R 4.8210 9.4023 125.1030 54.8342 34.4798 174.0351 104 H 5.3792 8.8335 117.2603 54.6600 31.1653 173.8822 105 Y 5.1801 9.3148 120.2179 56.4529 41.4899 174.6366 106 T 4.9486 9.0181 120.3339 61.8600 71.9618 173.0678 107 I 4.6913 8.8190 128.0162 59.9168 38.7160 174.4418 108 A 5.2512 8.9629 129.9702 50.2818 21.3171 175.4388 109 A 5.1611 9.1316 122.5377 50.0600 23.4748 174.7270 110 L 5.0542 9.0216 122.3448 53.2900 45.0341 175.0686 111 L 5.4465 8.9607 126.3721 53.3259 44.3015 175.8586 112 S 5.1967 9.5255 118.6901 56.0319 67.1445 173.3136 113 P 3.1242 0.0000 0.0000 65.2674 31.0464 177.7780 114 Y 4.6917 7.7879 111.5988 57.2677 38.6774 175.0237 115 S 4.7376 8.0198 113.9735 57.3785 65.7259 172.5406 116 Y 5.6238 7.8624 123.1769 55.6501 41.0965 173.9820 117 S 4.9440 9.1305 114.8748 56.9578 66.4226 172.7632 118 T 5.1935 8.4856 115.1642 60.9608 70.4701 172.8854 119 T 4.8449 9.1109 123.3828 61.7302 73.1373 172.4077 120 A 5.0765 8.6001 125.7899 50.2068 21.3497 175.9937 121 V 4.2516 8.8183 123.1504 61.0605 33.7591 174.4380 122 V 4.7318 8.3559 127.8996 60.9842 33.8266 174.7745 123 S 4.5712 8.5412 121.3667 56.6559 66.6518 173.7522 124 N 4.4058 8.6875 120.4200 53.8019 38.7753 174.4534 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 8 S 8.33 4.40 0.00 4.01 4.07 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 9 K 7.73 4.08 0.00 1.85 1.85 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.50 7.81 *11 P 0.00 4.22 0.00 2.36 2.65 0.00 3.56 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.96 0.00 12 L 7.64 4.94 0.00 0.69 1.11 0.97 0.58 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 13 M 9.16 4.98 0.00 1.91 1.89 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 2.49 2.48 0.00 14 V 8.18 4.87 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 0.82 0.00 0.00 0.89 0.00 0.00 15 K 8.99 5.02 0.00 1.66 1.60 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.29 1.31 7.81 16 V 8.87 4.86 1.89 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 0.88 0.00 0.00 0.80 0.00 0.00 17 L 8.91 5.11 0.00 1.60 1.52 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 18 D 9.03 5.22 0.00 2.72 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 19 A 9.27 4.28 1.42 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 0.00 0.00 20 V 8.51 3.92 2.56 0.00 0.00 0.00 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 1.01 0.00 0.00 21 R 8.83 4.22 0.00 1.92 2.03 0.00 3.40 0.00 0.00 3.46 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 22 G 8.29 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 23 S 7.35 4.73 0.00 3.88 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 24 P 0.00 4.59 0.00 2.04 2.17 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 25 A 8.65 4.31 0.66 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 0.00 0.00 26 V 8.42 4.08 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 0.82 0.00 0.00 0.94 0.00 0.00 27 D 8.64 4.43 0.00 2.89 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 28 V 7.78 3.84 1.90 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 0.74 0.00 0.00 0.43 0.00 0.00 29 A 8.66 4.62 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 30 V 9.08 4.80 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 0.91 0.00 0.00 0.85 0.00 0.00 31 K 8.91 4.69 0.00 1.64 1.19 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.18 1.26 7.81 32 V 8.67 4.87 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 1.29 0.00 0.00 0.93 0.00 0.00 33 F 9.38 5.53 0.00 2.76 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 34 K 9.08 4.74 0.00 1.48 1.57 0.00 1.28 0.00 0.00 1.27 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.90 0.21 7.81 35 K 9.02 4.34 0.00 1.24 1.33 0.00 1.16 0.00 0.00 1.42 0.00 0.00 2.62 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.02 0.48 7.81 36 T 7.79 4.44 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 1.17 0.00 0.00 37 S 8.56 4.04 0.00 3.82 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 38 E 7.92 3.96 0.00 1.88 1.94 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 2.26 2.21 0.00 39 G 7.82 3.72 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 0.00 0.00 0.00 40 S 7.64 4.56 0.00 3.85 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 41 W 8.45 5.11 0.00 2.97 2.86 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 42 E 8.90 4.82 0.00 2.19 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 0.00 2.52 2.44 0.00 43 P 0.00 4.43 0.00 1.97 1.93 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.28 0.00 44 F 8.97 4.89 0.00 3.05 3.24 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 45 A 7.68 4.59 1.12 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 0.00 0.00 0.00 46 S 7.80 4.74 0.00 3.83 3.64 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 47 G 8.12 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 0.00 0.00 0.00 48 K 8.51 5.32 0.00 1.56 1.64 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.36 7.81 49 T 8.47 4.12 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 1.16 0.00 0.00 50 A 8.56 4.77 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 51 E 8.65 4.03 0.00 1.97 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 2.31 2.29 0.00 52 S 7.96 4.15 0.00 3.98 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 53 G 8.40 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 54 E 7.78 5.02 0.00 1.90 1.63 0.00 0.00 0.00 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 2.35 0.00 55 L 8.86 4.79 0.00 1.58 1.39 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.76 5.02 0.00 2.99 3.14 0.00 6.02 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 57 G 8.73 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 0.00 0.00 0.00 58 L 7.94 3.97 0.00 1.53 1.65 0.85 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.04 4.33 4.14 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 0.94 0.00 0.00 60 T 8.03 4.81 4.27 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 1.20 0.00 0.00 61 D 8.84 4.67 0.00 2.74 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 62 E 8.23 4.20 0.00 1.99 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 2.34 2.42 0.00 63 K 7.87 4.32 0.00 1.81 1.98 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.41 7.81 64 F 8.61 5.04 0.00 3.08 3.16 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 65 V 7.62 4.10 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 0.90 0.00 0.00 1.02 0.00 0.00 66 E 8.69 4.10 0.00 2.03 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 2.25 2.30 0.00 67 G 7.68 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 68 V 7.19 4.59 1.91 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 1.12 0.00 0.00 0.83 0.00 0.00 69 Y 8.57 5.09 0.00 2.01 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.99 4.63 0.00 0.67 0.83 0.00 2.21 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.13 0.00 71 V 8.92 4.71 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 0.97 0.00 0.00 1.14 0.00 0.00 72 E 9.22 4.87 0.00 1.86 1.85 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 1.99 1.74 0.00 73 L 8.77 4.76 0.00 1.50 1.46 0.81 0.58 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 74 D 8.97 5.21 0.00 2.76 2.57 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 0.00 0.00 0.00 75 T 7.89 3.91 4.46 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 1.12 0.00 0.00 76 K 8.12 4.12 0.00 2.18 1.93 0.00 1.81 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.58 7.81 77 S 8.39 4.18 0.00 4.02 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 78 Y 7.72 3.94 0.00 2.87 2.88 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 79 W 8.16 4.37 0.00 3.53 3.31 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 0.00 80 K 8.25 4.25 0.00 2.03 1.89 0.00 1.71 0.00 0.00 1.89 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.52 7.81 81 T 7.79 3.91 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 1.13 0.00 0.00 82 L 7.06 4.46 0.00 1.85 1.70 0.37 0.71 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 83 G 7.99 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 0.00 0.00 0.00 84 I 7.83 4.42 2.24 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 1.34 1.48 0.78 0.00 0.00 85 S 8.57 4.59 0.00 3.88 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 86 P 0.00 4.31 0.00 2.21 2.03 0.00 3.77 0.00 0.00 3.90 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 87 F 8.20 3.90 0.00 1.86 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 H 7.79 4.48 0.00 3.25 3.36 0.00 5.95 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.39 3.95 0.00 1.24 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 2.06 2.04 0.00 90 F 6.83 4.78 0.00 3.02 3.02 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 91 A 8.50 4.63 0.39 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 0.00 0.00 92 D 9.04 5.49 0.00 2.63 2.54 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 93 V 8.81 4.54 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 1.13 0.00 0.00 1.00 0.00 0.00 94 V 8.60 5.08 2.21 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 1.18 0.00 0.00 0.92 0.00 0.00 95 F 8.52 5.06 0.00 3.17 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 96 T 8.71 4.82 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 1.24 0.00 0.00 97 A 8.85 4.54 0.61 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 0.00 0.00 98 N 9.31 4.96 0.00 2.65 2.71 0.00 0.00 6.99 8.15 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 99 D 8.40 4.68 0.00 2.79 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 0.00 100 S 7.83 4.51 0.00 3.97 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 0.00 101 G 8.23 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 0.00 0.00 0.00 0.00 102 H 8.54 4.86 0.00 3.18 3.27 0.00 5.67 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 R 9.40 4.82 0.00 1.31 1.45 0.00 3.22 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 104 H 8.83 5.38 0.00 3.19 3.20 0.00 5.75 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Y 9.31 5.18 0.00 2.97 2.79 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 0.00 106 T 9.02 4.95 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 1.19 0.00 0.00 107 I 8.82 4.69 1.85 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 1.12 0.98 0.90 0.00 0.00 108 A 8.96 5.25 1.21 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 0.00 109 A 9.13 5.16 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 0.00 110 L 9.02 5.05 0.00 1.78 1.57 0.98 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.96 5.45 0.00 1.82 2.01 0.49 0.53 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 0.00 112 S 9.53 5.20 0.00 3.89 3.72 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 0.00 113 P 0.00 3.12 0.00 2.06 1.62 0.00 3.29 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.60 0.00 114 Y 7.79 4.69 0.00 2.78 2.78 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 0.00 115 S 8.02 4.74 0.00 3.79 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 0.00 116 Y 7.86 5.62 0.00 3.10 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 0.00 117 S 9.13 4.94 0.00 3.92 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 0.00 118 T 8.49 5.19 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 1.35 0.00 0.00 119 T 9.11 4.84 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 0.00 120 A 8.60 5.08 1.13 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 0.00 0.00 121 V 8.82 4.25 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 0.98 0.00 0.00 0.92 0.00 0.00 122 V 8.36 4.73 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 0.40 0.00 0.00 0.89 0.00 0.00 123 S 8.54 4.57 0.00 3.83 3.82 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 0.00 0.00 0.00 0.00 124 N 8.69 4.41 0.00 2.66 2.69 0.00 0.00 6.95 7.56 0.00 0.00 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.