NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 E 4.3243 8.4444 116.7579 56.2444 30.3426 174.7252 14 V 3.9875 8.1324 123.5303 60.5102 31.9821 173.5138 15 D 4.3708 8.7929 119.7251 54.8615 42.0454 175.3276 16 L 4.1245 8.6899 128.1146 57.8845 42.0801 180.2564 17 G 3.8279 7.9456 105.2235 46.0672 0.0000 175.1783 *19 L 4.1946 8.0583 121.8465 54.3786 43.8862 179.2183 20 A 3.9228 8.4720 120.4561 55.0648 18.0332 179.3910 21 A 3.9122 7.7133 118.0282 55.3992 18.5178 179.2311 22 E 4.0296 8.0365 115.9776 59.1958 30.2142 178.1956 23 L 4.1125 8.2268 117.8790 55.5438 42.0942 178.8060 24 S 4.0946 8.0037 116.4554 61.5696 62.6635 175.0818 25 P 4.3536 0.0000 0.0000 64.4752 31.1261 176.9958 26 I 4.3011 7.4859 108.6928 60.2925 38.2609 175.8149 27 L 4.2672 7.5588 121.4080 54.1140 42.1229 176.9258 28 G 3.8887 8.8954 111.7765 45.2255 0.0000 173.6461 29 D 4.5227 8.6120 118.6257 56.6356 40.9610 177.3159 30 N 5.0506 7.8641 115.3656 52.6795 39.5561 173.4876 31 E 4.6744 8.1631 118.4705 54.7375 31.4724 174.7747 32 E 4.8581 8.8841 125.6583 54.3043 33.3156 175.2406 33 L 4.4051 8.5500 123.1570 55.1913 41.9912 176.1962 34 Q 4.6489 9.2771 121.7683 57.1278 31.4335 175.9579 35 L 4.9054 7.8988 115.9991 53.3546 46.6338 175.0475 36 A 5.2469 8.2141 121.8258 50.8641 22.0129 175.4353 37 Y 4.5436 9.2657 121.0766 57.7169 41.7023 177.6256 *40 V 3.9836 8.6349 120.9721 63.3607 33.1511 176.8267 41 R 4.6013 7.9795 111.3752 55.4524 30.7456 173.7220 42 D 5.1073 7.8703 116.6220 52.0720 43.3936 174.0645 43 L 5.0470 9.0508 118.1895 53.1077 44.6856 176.1804 44 F 4.7510 9.4801 123.0595 56.3100 40.5260 174.9556 45 V 4.7012 8.4396 125.4851 61.1598 33.4971 174.5177 46 F 4.8832 9.8967 128.2981 55.8599 40.0699 175.9269 47 T 4.9278 8.6130 115.6543 59.3645 71.0709 175.7217 48 S 4.5428 8.6393 111.7773 59.4374 62.4428 174.1076 *50 R 3.2038 7.7032 116.8518 56.0116 31.1590 173.7394 51 L 4.2427 7.4512 122.6380 54.2456 43.5995 175.2757 52 I 4.6154 8.4262 127.4376 59.4274 39.9494 174.5414 53 L 4.6174 8.7215 128.6741 53.8113 43.1328 175.8448 54 I 5.0645 8.7003 125.4916 59.7405 39.6303 174.4816 55 D 5.1065 8.6507 126.0165 52.3169 45.3850 174.3735 *57 Q 4.1923 8.4110 118.4717 56.3288 29.7394 175.8165 58 G 4.2591 8.3654 104.5208 45.0561 0.0000 174.8578 59 V 3.5094 8.0903 118.0285 65.6288 31.5638 176.9504 60 T 4.0719 7.9064 107.8121 61.0710 69.4483 170.9292 61 G 4.0976 7.1860 119.4914 43.8274 0.0000 173.2342 *64 V 4.1068 8.1868 123.0754 62.6421 32.6309 174.4789 65 S 4.6336 8.7124 121.6350 56.5934 66.1712 172.5276 66 Y 5.0495 8.4038 119.8662 56.8458 40.0009 174.6032 67 H 4.7880 9.3872 126.4601 54.6589 31.5945 173.5111 68 S 4.8578 8.6533 122.7137 57.4527 64.1866 174.1313 69 I 4.2742 8.7113 126.0903 58.3704 39.2306 173.1695 70 P 4.2086 0.0000 0.0000 61.8984 32.3014 178.1413 71 Y 4.4212 7.9481 121.7277 57.7932 36.8311 177.5843 *73 A 4.3351 7.9158 122.0585 51.6054 20.7919 176.9506 74 I 4.4309 7.7683 117.3142 60.8336 36.9114 176.1059 75 V 3.9997 8.8842 126.5811 64.9946 31.9176 175.5799 76 H 4.9947 8.0458 112.8410 54.9218 30.9230 171.8339 77 F 5.5537 7.8993 113.6787 56.0245 40.3685 173.3885 78 Q 4.6133 8.7942 121.5448 54.5079 32.0583 173.3624 79 V 4.8362 8.5060 124.0309 61.1642 34.0844 174.1627 80 E 4.9151 8.9651 127.1882 54.5092 32.4526 176.0503 81 T 4.3880 8.5137 113.6351 61.2928 69.7434 174.6384 82 A 4.1757 8.0124 124.5184 55.0383 18.5687 178.3769 83 G 4.3189 8.6051 108.3591 45.3407 0.0000 173.3388 84 T 4.5887 6.9635 107.2970 58.6695 71.7745 173.9755 85 F 4.2605 8.6973 120.2097 59.7556 39.3084 175.4637 86 D 4.6715 7.8449 120.1304 53.6138 40.0084 175.6536 *88 D 4.5157 7.8561 117.6180 54.8401 43.0806 175.8010 89 A 4.4788 8.3281 121.5248 52.4038 20.0038 176.1094 90 E 4.7874 9.2348 120.1606 54.5977 33.5550 174.8020 91 L 5.4114 8.1083 127.7532 52.4636 45.9833 173.7360 *93 L 4.3304 8.1871 119.8865 54.9579 43.3856 175.7029 94 W 5.0690 9.3655 127.0143 55.3810 30.8825 175.4907 95 I 5.0701 8.2853 124.2715 59.1328 40.1684 175.2772 96 S 4.0892 9.1876 121.1001 59.6417 62.7289 174.6762 97 G 3.9562 9.0013 113.4557 45.7763 0.0000 172.9934 98 Q 4.4718 7.7535 119.6862 54.3332 31.7039 174.3949 99 H 4.4732 9.1509 125.4666 59.0447 30.3322 175.3627 100 E 4.3352 7.9806 117.8677 54.8648 30.2127 174.6069 101 P 4.1958 0.0000 0.0000 62.3639 32.2041 175.9212 102 L 4.1615 8.4774 122.4578 54.8686 42.0969 176.5748 103 V 4.8741 7.9665 121.7398 59.9222 35.1638 174.1426 *105 E 4.2635 8.5199 121.5950 56.3144 30.4266 175.7488 106 L 4.4891 8.6344 123.8325 53.1266 44.5046 175.9358 *108 R 3.9777 8.3324 118.0007 57.6912 30.5092 176.3293 109 G 3.9840 9.2694 111.4176 45.5886 0.0000 173.6369 110 T 4.3097 7.3272 108.7396 60.7408 71.0664 175.4465 111 D 4.6707 8.2482 120.4999 53.1692 37.5501 176.2218 112 V 3.6239 7.4591 122.2694 65.8663 32.2692 176.7983 113 V 3.9887 7.7565 117.5930 65.6638 31.3193 177.8870 114 G 3.8449 7.8439 105.5259 47.3707 0.0000 175.1723 115 I 3.1387 7.4804 120.8354 63.2074 37.7658 177.9646 116 Q 4.2476 7.4583 116.4010 56.8273 28.2541 178.1763 *118 T 4.0926 8.0780 116.1491 63.7842 70.4867 176.2835 119 I 3.6817 7.7547 121.9167 64.3952 36.9760 178.3080 120 A 4.1059 7.9245 121.2986 55.2105 18.3669 179.6859 121 R 3.7146 7.8628 116.0156 59.8981 29.9390 178.8125 122 Y 3.8463 7.5901 114.4913 60.5538 37.8480 177.5857 123 A 4.3636 8.2223 121.1349 54.1973 18.9397 178.2444 124 L 4.2825 8.0198 115.8863 54.2403 42.9005 176.9969 125 G 4.1227 7.8582 111.5227 45.8632 0.0000 173.1982 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 13 E 8.44 4.32 0.00 2.01 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 2.13 1.88 0.00 14 V 8.13 3.99 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 0.91 0.00 0.00 0.94 0.00 0.00 15 D 8.79 4.37 0.00 2.67 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 16 L 8.69 4.12 0.00 1.74 1.70 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.95 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.06 4.19 0.00 1.89 1.74 0.96 0.98 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 20 A 8.47 3.92 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 21 A 7.71 3.91 1.31 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 0.00 0.00 22 E 8.04 4.03 0.00 1.99 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 2.35 2.48 0.00 23 L 8.23 4.11 0.00 1.64 1.49 0.75 0.06 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 24 S 8.00 4.09 0.00 3.84 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 25 P 0.00 4.35 0.00 2.03 2.13 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 26 I 7.49 4.30 1.85 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.74 0.95 0.00 0.00 27 L 7.56 4.27 0.00 1.79 1.60 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.90 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 29 D 8.61 4.52 0.00 2.68 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 30 N 7.86 5.05 0.00 2.67 2.78 0.00 0.00 6.73 7.66 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 31 E 8.16 4.67 0.00 1.96 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 2.19 2.32 0.00 32 E 8.88 4.86 0.00 1.98 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 2.22 2.27 0.00 33 L 8.55 4.41 0.00 1.52 1.62 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 9.28 4.65 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.66 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 35 L 7.90 4.91 0.00 1.78 1.47 1.01 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.21 5.25 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.27 4.54 0.00 2.98 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 *40 V 8.63 3.98 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 0.82 0.00 0.00 0.92 0.00 0.00 41 R 7.98 4.60 0.00 1.92 1.98 0.00 3.04 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 42 D 7.87 5.11 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 43 L 9.05 5.05 0.00 1.64 1.68 1.03 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 44 F 9.48 4.75 0.00 3.01 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 45 V 8.44 4.70 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 0.89 0.00 0.00 0.93 0.00 0.00 46 F 9.90 4.88 0.00 3.15 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 0.00 0.00 0.00 0.00 47 T 8.61 4.93 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 1.13 0.00 0.00 48 S 8.64 4.54 0.00 4.11 4.11 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 *50 R 7.70 3.20 0.00 1.58 1.83 0.00 2.79 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.42 0.00 51 L 7.45 4.24 0.00 1.43 1.30 -0.09 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.43 4.62 1.68 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.36 0.75 0.00 0.00 53 L 8.72 4.62 0.00 1.40 1.47 -0.33 0.27 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 54 I 8.70 5.06 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.80 1.10 0.00 0.00 55 D 8.65 5.11 0.00 2.71 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 *57 Q 8.41 4.19 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.25 0.00 0.00 0.00 0.00 0.00 2.51 2.30 0.00 58 G 8.37 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 3.51 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 T 7.91 4.07 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 1.21 0.00 0.00 61 G 7.19 4.10 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 0.00 *64 V 8.19 4.11 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 0.45 0.00 0.00 0.86 0.00 0.00 65 S 8.71 4.63 0.00 3.82 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 66 Y 8.40 5.05 0.00 2.83 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 67 H 9.39 4.79 0.00 3.09 3.04 0.00 5.59 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.65 4.86 0.00 3.74 3.67 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 69 I 8.71 4.27 1.58 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.35 0.80 0.00 0.00 70 P 0.00 4.21 0.00 1.89 1.93 0.00 3.60 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 1.98 2.05 0.00 71 Y 7.95 4.42 0.00 3.13 3.13 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 *73 A 7.92 4.34 1.35 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 0.00 0.00 74 I 7.77 4.43 2.15 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 1.26 0.68 1.12 0.00 0.00 75 V 8.88 4.00 2.39 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 0.85 0.00 0.00 1.11 0.00 0.00 76 H 8.05 4.99 0.00 3.24 3.26 0.00 5.53 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 F 7.90 5.55 0.00 3.23 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 78 Q 8.79 4.61 0.00 2.41 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.89 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 79 V 8.51 4.84 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 0.94 0.00 0.00 1.02 0.00 0.00 80 E 8.97 4.92 0.00 1.93 1.80 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 2.24 2.25 0.00 81 T 8.51 4.39 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 1.19 0.00 0.00 82 A 8.01 4.18 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 83 G 8.61 4.32 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 0.00 84 T 6.96 4.59 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 85 F 8.70 4.26 0.00 3.12 3.20 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 86 D 7.84 4.67 0.00 2.81 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 *88 D 7.86 4.52 0.00 2.63 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 89 A 8.33 4.48 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 90 E 9.23 4.79 0.00 1.95 1.71 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 2.14 2.19 0.00 91 L 8.11 5.41 0.00 1.74 1.45 0.98 0.61 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 *93 L 8.19 4.33 0.00 1.88 1.57 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 94 W 9.37 5.07 0.00 3.38 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 95 I 8.29 5.07 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.24 0.97 0.00 0.00 96 S 9.19 4.09 0.00 3.91 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 97 G 9.00 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 98 Q 7.75 4.47 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.30 0.00 99 H 9.15 4.47 0.00 3.16 3.39 0.00 5.97 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.98 4.34 0.00 2.00 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 2.36 2.26 0.00 101 P 0.00 4.20 0.00 1.14 0.49 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 102 L 8.48 4.16 0.00 1.45 1.64 0.78 0.76 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 0.00 103 V 7.97 4.87 2.02 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 1.09 0.00 0.00 0.81 0.00 0.00 *105 E 8.52 4.26 0.00 1.89 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 2.19 2.33 0.00 106 L 8.63 4.49 0.00 1.43 1.54 0.87 0.67 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 *108 R 8.33 3.98 0.00 1.74 1.93 0.00 3.27 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 109 G 9.27 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 0.00 0.00 0.00 110 T 7.33 4.31 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 1.22 0.00 0.00 111 D 8.25 4.67 0.00 2.84 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 0.00 112 V 7.46 3.62 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 0.92 0.00 0.00 0.91 0.00 0.00 113 V 7.76 3.99 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 0.99 0.00 0.00 0.93 0.00 0.00 114 G 7.84 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 0.00 0.00 0.00 115 I 7.48 3.14 1.12 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.78 0.74 0.00 0.00 116 Q 7.46 4.25 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.17 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 *118 T 8.08 4.09 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 0.38 0.00 0.00 119 I 7.75 3.68 1.47 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.78 0.05 0.00 0.00 120 A 7.92 4.11 1.47 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 0.00 0.00 121 R 7.86 3.71 0.00 1.67 1.59 0.00 2.82 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 122 Y 7.59 3.85 0.00 2.60 1.70 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 0.00 123 A 8.22 4.36 1.47 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 0.00 0.00 124 L 8.02 4.28 0.00 1.83 1.78 1.09 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 125 G 7.86 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 * Residues marked with a * may have inaccurate shift predictions.