NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 H 4.4680 8.4449 120.3867 56.0268 31.1406 173.0270 *5 K 4.3231 7.6366 123.2427 57.0029 34.7030 178.4916 6 H 4.0247 8.1443 115.0908 59.5542 28.5717 177.8112 7 T 3.9042 7.8353 116.6514 66.6847 68.3219 176.4866 8 E 3.9653 7.9531 120.0684 59.2050 29.3808 178.9423 9 L 3.8576 8.2554 119.5124 57.8911 41.6306 179.6364 10 R 3.9074 8.0955 117.4018 59.4042 30.1055 178.9709 11 A 3.9324 8.0302 120.1986 55.2260 18.2816 179.5586 12 A 3.9023 8.0375 119.2395 55.0697 18.3003 180.1203 13 V 3.4232 7.4139 116.7667 66.2255 31.6656 177.9914 14 L 3.8946 8.1267 119.0281 58.0171 41.3333 179.2291 15 D 4.1587 8.1781 117.3215 57.3778 41.0016 178.2603 16 A 3.9851 7.6395 119.7982 55.1155 18.7448 179.3268 17 L 4.1450 8.2688 117.9688 57.9704 41.7413 179.5390 18 E 4.6712 8.1103 119.8931 58.3899 29.0938 179.1332 19 K 4.2077 7.7251 117.3889 58.5670 32.1281 177.8223 20 H 4.6645 7.7511 115.0112 55.8810 30.4914 174.3890 21 D 4.7505 7.2472 116.4989 53.8639 44.3422 175.5067 22 T 5.1069 8.5458 113.9060 61.7504 69.7177 175.0885 23 G 3.7737 9.5059 113.1963 48.0774 0.0000 174.4584 24 A 4.6974 7.8864 121.0279 51.2021 21.0501 176.7821 25 T 4.3105 8.1421 115.9944 62.3086 69.9780 174.3785 26 F 4.9682 8.7021 125.8832 56.4023 40.3997 175.3363 27 F 4.7169 9.7331 122.5376 55.8759 41.9064 174.5203 28 D 5.1121 8.7714 123.1424 53.1096 40.3840 174.8394 29 G 4.0307 8.8880 110.6872 43.3968 0.0000 171.4449 30 R 3.8285 7.7801 120.4029 53.6084 29.8233 174.4185 31 P 3.8675 0.0000 0.0000 62.6663 31.8646 174.3558 32 A 3.8155 8.3538 127.8596 54.7531 17.7987 179.5805 33 V 4.0815 8.0822 113.0379 59.0560 33.4987 177.6791 34 F 4.2549 8.4731 120.6222 56.7750 42.3855 173.8040 35 D 4.7570 7.8852 126.5573 52.8258 42.0426 177.3324 36 E 4.0897 9.0792 123.3635 59.1233 29.7216 175.1673 37 A 4.2347 8.2250 118.6566 54.0937 18.8330 178.1740 38 D 4.4741 8.2653 115.5648 56.1727 41.2523 177.3208 39 F 4.5621 6.9090 118.5959 56.9657 39.6143 172.9443 40 P 4.8745 0.0000 0.0000 62.4076 32.8689 174.8872 41 A 5.2262 8.7769 123.8988 50.2719 22.9782 175.1436 42 V 5.0287 8.7641 118.1488 61.2864 35.3150 173.9820 43 A 5.5076 9.6098 129.0729 50.2385 22.4857 174.6792 44 V 5.0468 8.6786 121.8197 61.4236 34.2908 174.0800 45 Y 5.0809 8.1807 123.2103 56.5799 41.4972 172.9624 46 L 5.9328 8.9553 119.7571 52.9492 44.7095 175.7550 47 T 4.6192 8.2065 109.6674 60.8466 72.5304 174.0143 48 G 4.0701 9.1011 108.6228 46.2026 0.0000 173.3976 49 A 4.7657 8.2348 121.4530 52.3042 18.7739 177.6187 50 E 4.5853 9.6446 120.5009 54.6625 33.5662 174.1744 51 Y 2.9130 7.3125 123.3738 57.4103 39.5377 174.4094 52 T 4.2452 7.3364 116.0507 59.2387 72.7222 173.0435 53 G 3.8185 8.1052 108.1203 46.3358 0.0000 175.9620 54 E 4.0027 7.8212 115.7418 57.7012 30.9187 180.4933 55 E 4.0391 8.1322 118.9426 58.7081 29.8244 177.3232 56 L 4.1901 7.6713 116.1045 54.3017 42.5787 174.9509 57 D 4.4376 7.9662 119.0539 53.9734 38.7888 172.2436 58 S 4.6996 9.2420 117.1046 56.8821 66.3723 174.6356 59 D 4.7769 8.4530 119.0000 53.7385 39.9364 176.2034 60 T 4.8273 7.4226 116.7682 63.3258 70.3940 175.2763 61 W 4.7007 9.3094 127.2438 55.2499 31.9151 175.1286 62 Q 5.1111 8.9243 121.8367 54.8736 32.5497 173.7569 63 A 4.9751 8.9447 125.4566 51.3921 23.8992 174.0472 64 E 5.0392 9.1956 119.2856 54.5036 32.6681 174.3595 65 L 4.9828 9.1771 129.2854 53.9313 44.1440 174.6649 66 H 5.1597 8.9280 123.7776 54.3287 32.0569 174.3006 67 I 4.6407 8.4308 121.9616 60.1605 40.1883 172.9493 68 E 4.9719 9.3642 128.5278 54.2233 32.3065 174.3931 69 V 4.6341 8.2800 126.5189 61.2438 33.8379 174.1426 70 F 5.0765 9.2814 127.0474 56.0253 41.7091 174.9197 71 L 4.8280 8.3295 121.0008 52.1910 47.0872 173.6347 72 P 3.7106 0.0000 0.0000 62.4446 31.6445 177.8985 73 A 3.9223 8.2516 128.3923 55.8855 18.3082 179.3689 74 Q 4.2742 7.8918 113.5794 55.8033 28.8074 180.9129 75 V 3.8640 7.2844 114.9461 60.8498 32.4326 179.8594 76 P 4.4651 0.0000 0.0000 61.8671 32.3694 177.0422 77 A 4.0102 8.7448 122.4137 55.8669 18.0651 180.1140 78 S 4.1231 8.1754 112.8301 62.0138 62.7578 176.3839 79 E 4.0539 8.2283 121.6482 59.3986 29.0808 179.0226 80 L 4.1212 7.9199 117.5601 57.8994 41.9132 178.5871 81 D 4.7690 8.4187 118.9016 56.6987 41.0935 178.2889 82 A 4.2590 8.7161 121.5412 55.0342 18.3203 180.2491 83 W 4.0152 8.0375 125.8275 59.1610 30.6300 177.9211 *85 E 4.4145 8.0530 114.3176 55.6827 31.4015 180.7355 86 S 4.3748 8.6390 115.1321 60.6313 62.9266 175.2875 87 R 4.6057 8.3805 115.2925 55.5004 31.3061 174.9106 88 I 4.5040 6.9935 115.8735 61.8192 40.7984 176.8514 89 Y 4.3426 8.3145 123.3160 60.6582 39.2455 176.5916 90 P 4.3252 0.0000 0.0000 65.6259 31.7980 179.7043 91 V 3.5886 7.8757 121.5696 63.1941 30.6158 178.5515 *93 S 4.2854 8.1418 116.0661 57.5939 64.3731 175.9209 94 D 4.2417 7.2597 114.3945 54.0152 43.3825 175.2285 95 I 4.3990 7.7532 128.8317 57.5955 38.1183 173.9712 96 P 4.2024 0.0000 0.0000 66.0137 30.6101 178.1411 97 A 3.9521 7.8329 118.9206 54.7400 18.5506 178.9562 98 L 4.0293 7.8858 120.8216 58.9796 41.9900 179.4644 99 S 4.1314 7.9948 118.6402 63.7912 61.9435 177.9294 100 D 4.6760 7.9111 120.1086 55.9867 40.6299 177.7610 101 L 4.4521 8.0068 119.0073 54.5810 42.5079 175.5761 102 I 4.7254 7.2480 111.1064 59.1659 40.1537 174.5976 103 T 4.6891 8.5714 108.9525 62.2069 70.7970 173.7315 104 S 4.5543 7.5978 113.8784 57.6487 67.1201 174.3767 *106 V 4.2714 8.0474 118.0422 61.2187 32.5326 175.1924 107 A 4.0940 8.8935 124.5709 52.9649 18.6824 175.5927 108 S 4.4060 8.6072 111.7886 59.0786 64.2115 174.6239 109 G 4.1801 7.8707 102.9022 45.7088 0.0000 170.0465 110 Y 4.5992 8.3221 120.7141 56.8889 41.2244 173.1128 111 D 4.9553 8.5026 127.0841 52.5007 44.6837 174.9955 112 Y 4.9695 8.4995 120.1046 56.4081 39.0023 175.1943 113 R 4.7881 8.1762 122.5914 55.3825 33.8946 175.5647 114 R 4.3515 8.0398 118.7442 55.6025 34.1699 172.6930 115 D 3.7732 6.7838 117.0678 53.9498 40.7971 176.6447 116 D 4.4161 8.5729 127.6962 56.0195 40.8160 178.0731 117 D 4.4870 7.5010 118.0465 53.8260 40.6018 182.4199 118 A 4.3805 8.0106 124.0680 51.5933 20.2142 177.3540 119 G 3.9649 8.1733 105.4353 47.0583 0.0000 175.5268 120 L 4.4573 8.7976 124.7187 56.2288 42.1051 178.7898 121 W 5.7600 7.3130 114.0009 55.1343 32.6868 174.1879 122 S 5.1115 8.8989 112.8751 57.3097 66.0874 173.5391 123 S 5.5661 9.6782 116.6497 55.3924 67.2601 172.1647 124 A 4.4276 7.9388 119.7688 50.0484 21.9723 174.4229 125 D 4.7226 8.6871 123.3600 52.3752 43.6682 174.5589 126 L 4.8914 8.4590 129.8586 54.1222 43.5712 175.3754 127 T 5.1497 8.3663 116.0484 60.1201 72.2224 172.5527 128 Y 5.1073 8.8580 119.9388 56.3093 42.6073 174.2946 129 V 4.9264 8.5272 122.0140 61.2870 33.1984 175.0411 130 I 5.1806 8.7058 121.0983 59.2895 41.2382 174.3526 131 T 5.2991 8.7845 113.8481 60.5010 71.8544 172.3019 132 Y 5.0467 8.3374 120.6915 56.6491 42.1975 174.6128 133 E 4.7732 8.7491 117.6001 55.8325 29.9506 176.2688 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 H 8.44 4.47 0.00 3.13 3.29 0.00 5.73 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *5 K 7.64 4.32 0.00 1.78 1.80 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.70 7.81 6 H 8.14 4.02 0.00 3.11 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.84 3.90 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 1.20 0.00 0.00 8 E 7.95 3.97 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 2.33 2.34 0.00 9 L 8.26 3.86 0.00 1.66 1.55 0.23 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.10 3.91 0.00 1.87 2.02 0.00 3.42 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 11 A 8.03 3.93 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 12 A 8.04 3.90 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 13 V 7.41 3.42 2.22 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 1.15 0.00 0.00 0.94 0.00 0.00 14 L 8.13 3.89 0.00 1.66 1.62 0.99 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.18 4.16 0.00 2.83 2.82 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 16 A 7.64 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 17 L 8.27 4.15 0.00 1.70 2.01 1.21 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.11 4.67 0.00 1.77 1.74 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 1.47 1.47 0.00 19 K 7.73 4.21 0.00 1.88 1.88 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.45 1.60 7.81 20 H 7.75 4.66 0.00 3.31 3.39 0.00 5.89 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 7.25 4.75 0.00 2.82 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 22 T 8.55 5.11 4.34 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 0.00 0.00 0.00 1.26 0.00 0.00 23 G 9.51 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 0.00 0.00 0.00 0.00 24 A 7.89 4.70 1.18 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 0.00 0.00 0.00 25 T 8.14 4.31 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 0.70 0.00 0.00 26 F 8.70 4.97 0.00 2.84 2.99 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 27 F 9.73 4.72 0.00 2.94 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 28 D 8.77 5.11 0.00 2.70 2.63 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 0.00 0.00 0.00 29 G 8.89 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 0.00 0.00 0.00 30 R 7.78 3.83 0.00 0.67 1.18 0.00 2.71 0.00 0.00 3.07 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.36 0.00 31 P 0.00 3.87 0.00 1.13 0.64 0.00 3.41 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 1.12 0.44 0.00 32 A 8.35 3.82 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 33 V 8.08 4.08 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 0.75 0.00 0.00 0.93 0.00 0.00 34 F 8.47 4.25 0.00 2.99 2.93 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 35 D 7.89 4.76 0.00 2.53 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.08 4.09 0.00 1.93 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 0.00 2.33 1.92 0.00 37 A 8.22 4.23 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 38 D 8.27 4.47 0.00 2.53 2.75 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 39 F 6.91 4.56 0.00 3.09 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 40 P 0.00 4.87 0.00 1.02 1.87 0.00 3.71 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 1.90 2.01 0.00 41 A 8.78 5.23 1.60 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 0.00 0.00 42 V 8.76 5.03 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 1.08 0.00 0.00 0.69 0.00 0.00 43 A 9.61 5.51 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.68 5.05 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 1.13 0.00 0.00 1.11 0.00 0.00 45 Y 8.18 5.08 0.00 3.14 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 46 L 8.96 5.93 0.00 1.54 1.62 0.61 0.91 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 47 T 8.21 4.62 4.38 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 1.39 0.00 0.00 48 G 9.10 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 0.00 0.00 0.00 49 A 8.23 4.77 1.65 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 0.00 0.00 50 E 9.64 4.59 0.00 1.89 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 2.12 2.10 0.00 51 Y 7.31 2.91 0.00 1.54 2.22 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 52 T 7.34 4.25 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 1.03 0.00 0.00 53 G 8.11 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 0.00 0.00 0.00 54 E 7.82 4.00 0.00 1.90 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 2.27 1.85 0.00 55 E 8.13 4.04 0.00 1.90 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 2.28 2.32 0.00 56 L 7.67 4.19 0.00 1.62 1.66 0.88 0.99 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 57 D 7.97 4.44 0.00 2.82 2.70 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 58 S 9.24 4.70 0.00 3.88 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 59 D 8.45 4.78 0.00 3.01 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 60 T 7.42 4.83 4.05 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 0.00 0.00 1.11 0.00 0.00 61 W 9.31 4.70 0.00 2.50 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 62 Q 8.92 5.11 0.00 2.01 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.49 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 63 A 8.94 4.98 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 0.00 0.00 64 E 9.20 5.04 0.00 2.09 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 2.03 2.30 0.00 65 L 9.18 4.98 0.00 1.76 1.60 0.89 0.82 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 66 H 8.93 5.16 0.00 1.45 2.74 0.00 5.63 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.43 4.64 1.98 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.01 1.06 0.00 0.00 68 E 9.36 4.97 0.00 2.16 1.76 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 1.47 2.03 0.00 69 V 8.28 4.63 1.97 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 0.53 0.00 0.00 0.98 0.00 0.00 70 F 9.28 5.08 0.00 2.82 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 71 L 8.33 4.83 0.00 1.45 1.35 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 3.71 0.00 1.90 1.80 0.00 3.43 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.84 0.00 73 A 8.25 3.92 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 74 Q 7.89 4.27 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.90 0.00 0.00 0.00 0.00 0.00 2.24 1.91 0.00 75 V 7.28 3.86 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 0.89 0.00 0.00 0.93 0.00 0.00 76 P 0.00 4.47 0.00 2.20 2.19 0.00 3.83 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 77 A 8.74 4.01 1.15 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 0.00 0.00 0.00 0.00 0.00 78 S 8.18 4.12 0.00 3.90 3.98 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 79 E 8.23 4.05 0.00 2.13 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 0.00 2.43 2.45 0.00 80 L 7.92 4.12 0.00 2.01 1.82 1.07 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.42 4.77 0.00 2.96 2.81 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 0.00 0.00 0.00 82 A 8.72 4.26 1.46 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 0.00 0.00 83 W 8.04 4.02 0.00 3.58 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.05 4.41 0.00 2.05 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 0.00 2.13 1.91 0.00 86 S 8.64 4.37 0.00 3.63 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 87 R 8.38 4.61 0.00 1.71 1.91 0.00 2.21 0.00 0.00 2.98 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.98 0.00 88 I 6.99 4.50 2.11 0.00 0.00 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 1.64 1.51 1.11 0.00 0.00 89 Y 8.31 4.34 0.00 2.97 3.12 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 90 P 0.00 4.33 0.00 2.10 2.12 0.00 3.92 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.19 0.00 91 V 7.88 3.59 2.18 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 0.88 0.00 0.00 0.77 0.00 0.00 *93 S 8.14 4.29 0.00 3.70 3.81 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 0.00 0.00 0.00 94 D 7.26 4.24 0.00 2.56 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.75 4.40 1.78 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.82 0.88 0.00 0.00 96 P 0.00 4.20 0.00 2.23 2.31 0.00 3.66 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 97 A 7.83 3.95 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.89 4.03 0.00 1.69 1.76 0.83 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.99 4.13 0.00 3.79 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 0.00 100 D 7.91 4.68 0.00 2.65 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 0.00 101 L 8.01 4.45 0.00 1.69 1.66 0.85 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.25 4.73 2.14 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.67 0.89 0.00 0.00 103 T 8.57 4.69 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 1.25 0.00 0.00 104 S 7.60 4.55 0.00 3.86 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 *106 V 8.05 4.27 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 0.84 0.00 0.00 0.98 0.00 0.00 107 A 8.89 4.09 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 0.00 108 S 8.61 4.41 0.00 3.83 3.74 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 0.00 109 G 7.87 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 0.00 0.00 0.00 0.00 110 Y 8.32 4.60 0.00 2.93 2.70 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 0.00 111 D 8.50 4.96 0.00 2.46 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 0.00 112 Y 8.50 4.97 0.00 2.84 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 0.00 113 R 8.18 4.79 0.00 1.93 1.99 0.00 3.12 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 114 R 8.04 4.35 0.00 1.54 1.64 0.00 3.25 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 115 D 6.78 3.77 0.00 1.58 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 0.00 0.00 0.00 116 D 8.57 4.42 0.00 2.65 2.63 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 0.00 0.00 0.00 117 D 7.50 4.49 0.00 2.69 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.01 4.38 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 119 G 8.17 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 0.00 120 L 8.80 4.46 0.00 1.30 1.68 0.92 0.84 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 0.00 121 W 7.31 5.76 0.00 3.37 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 S 8.90 5.11 0.00 3.91 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 0.00 123 S 9.68 5.57 0.00 3.24 3.25 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 0.00 124 A 7.94 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 D 8.69 4.72 0.00 2.57 2.35 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 0.00 0.00 0.00 0.00 126 L 8.46 4.89 0.00 1.92 1.74 1.05 0.73 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 0.00 127 T 8.37 5.15 4.04 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 0.00 0.00 0.91 0.00 0.00 128 Y 8.86 5.11 0.00 2.92 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 0.00 129 V 8.53 4.93 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 0.89 0.00 0.00 0.96 0.00 0.00 130 I 8.71 5.18 1.98 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 1.41 0.91 0.95 0.00 0.00 131 T 8.78 5.30 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 1.24 0.00 0.00 132 Y 8.34 5.05 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 0.00 133 E 8.75 4.77 0.00 2.04 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 2.51 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.