NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.5664 8.3193 117.1249 56.3656 65.2645 173.0230 9 Q 5.2682 7.3110 116.8885 55.1583 30.9580 173.0461 10 F 3.7535 9.5824 122.9467 58.1007 40.3573 176.9706 11 I 4.0650 7.3558 130.4003 59.2474 37.4849 175.9691 12 V 3.3872 8.0752 125.2152 66.3335 31.2418 177.3077 13 D 4.2939 7.9305 117.6093 57.3456 40.6247 178.3991 14 D 4.1715 7.7620 118.7774 57.4497 40.9959 178.5543 15 V 3.3642 7.3026 118.6126 66.3015 31.3509 178.0324 16 S 4.0948 8.2186 112.7784 60.9362 62.0792 176.1481 17 K 3.9135 7.7027 122.2199 59.7772 31.9143 178.9007 18 T 3.8060 7.9635 116.1197 66.6537 68.3174 176.6357 19 I 3.6296 7.6742 121.5320 64.3469 37.1413 178.3563 20 K 3.9005 8.0765 119.1823 59.9724 31.9448 178.6933 21 E 3.8749 8.5326 118.5281 59.3717 29.4489 178.9382 22 A 3.9177 8.2751 120.4409 55.5488 18.4811 179.6559 23 I 3.2279 7.9662 118.1574 64.4459 37.1036 178.1242 24 E 3.7937 8.1055 120.1300 59.9086 29.1542 178.6233 25 T 3.7705 7.6452 114.5004 66.8123 68.5515 176.2176 26 T 3.8321 7.5719 117.6250 66.1993 68.8399 175.3956 27 I 3.3573 6.3957 109.9512 58.8831 38.8260 175.5387 28 G 4.0863 6.9641 109.8453 46.5818 0.0000 173.2833 29 G 3.6206 9.8797 115.0782 45.4163 0.0000 170.4467 30 N 4.9315 7.4222 114.4777 52.1736 43.4189 173.6935 31 A 4.9081 8.2796 120.8903 50.0529 21.9149 175.3775 32 Y 4.3111 8.6714 121.9301 58.6791 39.3286 176.9673 33 Q 3.9339 7.7032 125.4689 55.0013 30.7559 174.2225 34 H 3.7535 8.2052 124.2513 59.1608 29.4901 175.3598 35 D 4.1323 7.3320 117.7850 57.5902 41.0148 178.0883 36 K 3.5822 6.9372 117.5469 57.3453 32.3294 179.2334 37 V 3.4359 6.6354 119.5904 66.1621 31.2747 177.3448 38 N 4.2829 7.9669 115.3393 56.6667 38.3282 176.7727 39 N 4.3875 7.8457 117.5039 56.2273 39.0119 176.6536 40 W 4.4204 8.2921 121.4332 59.8838 29.0673 178.1871 41 T 4.0657 8.4622 109.7395 65.1663 67.9500 176.4661 42 G 3.5932 8.0233 107.9146 47.7937 0.0000 175.7835 43 Q 4.0709 8.3605 121.1757 58.3601 28.6834 179.0364 44 V 3.5192 8.1941 119.7613 66.1715 31.5093 178.6053 45 V 3.6378 7.5776 111.9959 64.4999 31.3288 178.4259 46 E 3.9786 8.2416 118.3447 59.3993 29.1757 179.2057 47 N 4.2870 8.6971 116.7804 56.4938 38.6956 176.8696 48 C 3.8941 7.8746 117.9010 63.1516 28.3444 176.3123 49 L 3.9603 8.0987 120.2577 58.1765 41.2178 179.7379 50 T 3.8597 8.0859 115.7679 66.6641 68.2135 176.8071 51 V 3.5143 7.6654 118.5406 65.9269 31.3750 177.5319 52 L 3.8945 8.2518 119.2481 58.1151 41.3883 179.8065 53 T 4.1154 7.9881 109.5130 64.7414 68.4862 176.1924 54 K 3.8795 7.7438 121.1610 59.3747 32.0396 177.8172 55 E 4.1854 7.9786 115.3528 56.3308 28.8883 177.0642 56 Q 3.5158 8.0509 116.5774 56.5067 27.2503 174.2505 57 K 4.3538 7.5632 114.9856 55.8285 33.4531 175.5001 58 P 4.7085 0.0000 0.0000 63.0267 29.9147 174.7260 59 Y 4.9702 7.5753 116.5616 56.8920 43.1683 176.1819 60 K 4.7101 9.0667 121.1965 55.2469 34.4852 175.2976 61 Y 5.6506 8.5012 120.0552 56.4465 41.9652 174.9559 62 I 4.8418 9.1385 122.1342 59.6854 41.1852 174.5620 63 V 5.1926 8.7274 126.2049 61.3337 34.2246 174.5973 64 T 4.9182 9.0598 116.5269 60.2956 72.4973 172.7474 65 A 5.4301 8.1382 123.4157 50.0993 22.9302 174.2263 *67 I 4.4242 8.0185 117.3485 61.5370 38.2241 175.0084 *69 Q 3.7306 8.2986 120.7231 55.3966 28.8236 174.5863 70 K 3.7851 8.5253 127.5030 57.5121 32.4355 176.0266 71 N 4.4409 8.9543 120.9445 54.2178 40.5645 174.0611 72 G 3.8241 8.5313 103.0450 46.1941 0.0000 173.4674 73 A 4.7038 7.9371 121.1504 49.7133 20.9530 178.0251 74 G 3.8227 8.4432 110.4408 45.1284 0.0000 173.0627 75 L 4.7704 7.9886 124.1416 53.2597 45.1009 175.3505 76 H 4.8617 8.6487 121.5867 54.3899 32.5786 172.7265 77 T 4.7526 8.2795 112.4467 60.0798 71.9175 172.8433 78 A 4.7209 8.2016 123.5749 51.2202 22.1138 176.0107 79 S 4.6143 8.2501 114.5320 57.2614 65.8076 173.2420 80 S 4.5042 8.0694 116.0037 57.4742 65.4815 171.9222 81 C 4.3859 7.6953 118.7029 58.1679 31.6434 173.7284 82 Y 4.5472 8.0032 121.4338 55.7340 39.4396 173.9250 83 W 4.7397 7.9114 124.9587 55.6576 30.2168 174.3934 84 N 4.5266 9.2969 118.5178 52.6846 37.0826 176.3727 85 N 4.4188 8.6248 121.8222 54.5988 38.8117 175.3984 86 D 4.6445 8.2703 117.9903 54.7518 42.3445 176.6376 87 T 4.5539 7.7655 105.9552 61.3046 70.5019 174.1051 88 D 4.7300 7.6710 122.1531 53.2703 43.2099 175.2550 89 G 3.6377 7.4791 106.3325 46.0047 0.0000 171.8682 90 S 5.3291 8.0145 112.1446 58.6983 65.7402 174.1959 91 C 4.7753 8.2508 120.4236 58.4874 34.9979 172.3596 92 T 4.9816 8.6337 122.4687 61.7879 70.7646 173.3456 93 V 4.4431 8.9137 127.0651 61.1943 33.9892 174.4637 94 R 5.1718 8.5898 126.1697 54.7422 32.1615 175.5733 95 W 5.3012 9.4157 132.6713 56.2059 34.4872 173.2233 96 E 5.1980 7.9466 123.5900 55.5825 32.4457 174.1577 97 N 4.4478 7.9621 115.5669 51.9377 39.5302 173.2774 98 K 3.9585 8.9038 116.8208 60.0536 32.4367 178.6954 99 T 4.5008 9.0212 109.3636 61.0953 69.1145 173.1364 *101 Y 4.9671 7.6844 118.3409 59.3000 40.0597 174.5842 102 C 5.1841 10.0417 124.2094 57.6969 35.1180 172.5473 103 I 5.1697 8.5189 125.6979 59.6090 40.5914 174.5377 104 V 4.8010 8.8006 124.9333 61.5052 35.4682 174.2167 105 S 5.2432 9.2039 121.5610 56.8636 67.8198 173.3610 106 V 5.0091 8.2158 121.6656 60.0683 34.8524 174.0698 107 F 5.1974 9.8097 123.5661 55.5891 42.0863 174.3280 108 G 4.5037 8.9026 111.8720 44.5532 0.0000 172.0315 109 L 5.4370 9.0401 126.3968 52.3792 44.4401 176.4973 110 A 3.4756 9.7058 126.7993 51.3974 19.3195 177.8031 111 V 3.6890 7.3400 111.4342 61.9696 31.3634 176.4786 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 8.32 4.57 0.00 3.65 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 9 Q 7.31 5.27 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.98 0.00 0.00 0.00 0.00 0.00 2.21 2.38 0.00 10 F 9.58 3.75 0.00 2.55 2.89 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 11 I 7.36 4.06 1.75 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.65 0.89 0.00 0.00 12 V 8.08 3.39 2.09 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 1.18 0.00 0.00 1.15 0.00 0.00 13 D 7.93 4.29 0.00 2.66 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 14 D 7.76 4.17 0.00 2.60 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 15 V 7.30 3.36 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 0.95 0.00 0.00 0.13 0.00 0.00 16 S 8.22 4.09 0.00 3.96 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 17 K 7.70 3.91 0.00 2.01 1.83 0.00 1.57 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.49 7.81 18 T 7.96 3.81 4.28 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 1.12 0.00 0.00 19 I 7.67 3.63 1.98 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 1.48 0.72 0.89 0.00 0.00 20 K 8.08 3.90 0.00 1.82 1.94 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.76 7.81 21 E 8.53 3.87 0.00 2.22 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 2.30 2.31 0.00 22 A 8.28 3.92 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 23 I 7.97 3.23 1.53 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.86 -0.41 0.00 0.00 24 E 8.11 3.79 0.00 2.21 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 2.35 2.42 0.00 25 T 7.65 3.77 4.29 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 0.00 0.00 1.15 0.00 0.00 26 T 7.57 3.83 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 1.26 0.00 0.00 27 I 6.40 3.36 1.22 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 -0.02 0.12 0.00 0.00 28 G 6.96 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 29 G 9.88 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 7.42 4.93 0.00 2.48 2.72 0.00 0.00 6.62 7.54 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 31 A 8.28 4.91 1.30 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 0.00 0.00 32 Y 8.67 4.31 0.00 3.18 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 33 Q 7.70 3.93 0.00 1.75 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.51 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 34 H 8.21 3.75 0.00 3.04 3.27 0.00 5.77 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 7.33 4.13 0.00 2.41 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 36 K 6.94 3.58 0.00 0.79 0.74 0.00 1.19 0.00 0.00 1.49 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.24 7.81 37 V 6.64 3.44 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 1.19 0.00 0.00 0.75 0.00 0.00 38 N 7.97 4.28 0.00 2.67 2.83 0.00 0.00 6.67 6.92 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 39 N 7.85 4.39 0.00 2.72 2.76 0.00 0.00 7.18 7.95 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 40 W 8.29 4.42 0.00 3.55 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 41 T 8.46 4.07 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 1.38 0.00 0.00 42 G 8.02 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.36 4.07 0.00 2.37 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 44 V 8.19 3.52 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 0.97 0.00 0.00 0.97 0.00 0.00 45 V 7.58 3.64 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 0.79 0.00 0.00 1.07 0.00 0.00 46 E 8.24 3.98 0.00 2.14 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 0.00 2.50 2.52 0.00 47 N 8.70 4.29 0.00 2.81 2.82 0.00 0.00 6.99 7.70 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 48 C 7.87 3.89 0.00 3.10 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 49 L 8.10 3.96 0.00 1.95 1.77 0.98 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.09 3.86 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 1.21 0.00 0.00 51 V 7.67 3.51 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 0.76 0.00 0.00 0.89 0.00 0.00 52 L 8.25 3.89 0.00 1.29 0.53 0.45 0.16 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 53 T 7.99 4.12 4.33 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 1.43 0.00 0.00 54 K 7.74 3.88 0.00 1.89 2.09 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.51 7.81 55 E 7.98 4.19 0.00 2.14 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 2.33 2.57 0.00 56 Q 8.05 3.52 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.94 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 57 K 7.56 4.35 0.00 2.05 2.06 0.00 1.87 0.00 0.00 1.83 0.00 0.00 3.11 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.58 1.62 7.81 58 P 0.00 4.71 0.00 1.95 2.18 0.00 3.88 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 59 Y 7.58 4.97 0.00 2.47 2.16 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 60 K 9.07 4.71 0.00 1.75 1.71 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.34 7.81 61 Y 8.50 5.65 0.00 2.93 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 62 I 9.14 4.84 2.22 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.82 1.05 0.00 0.00 63 V 8.73 5.19 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 0.87 0.00 0.00 0.99 0.00 0.00 64 T 9.06 4.92 4.33 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 1.37 0.00 0.00 65 A 8.14 5.43 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 *67 I 8.02 4.42 2.08 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.77 1.21 0.00 0.00 *69 Q 8.30 3.73 0.00 0.93 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.85 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 70 K 8.53 3.79 0.00 1.54 1.62 0.00 1.23 0.00 0.00 1.63 0.00 0.00 2.49 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.26 0.92 7.81 71 N 8.95 4.44 0.00 2.67 2.67 0.00 0.00 7.20 7.98 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 72 G 8.53 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 73 A 7.94 4.70 1.25 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 0.00 0.00 74 G 8.44 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 75 L 7.99 4.77 0.00 1.44 1.26 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 76 H 8.65 4.86 0.00 3.10 3.12 0.00 5.70 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.28 4.75 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 1.21 0.00 0.00 78 A 8.20 4.72 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 79 S 8.25 4.61 0.00 4.00 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 80 S 8.07 4.50 0.00 3.73 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 81 C 7.70 4.39 0.00 1.23 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 0.00 0.00 0.00 82 Y 8.00 4.55 0.00 2.77 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 83 W 7.91 4.74 0.00 3.47 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 84 N 9.30 4.53 0.00 2.59 2.72 0.00 0.00 7.65 6.89 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 85 N 8.62 4.42 0.00 2.80 2.92 0.00 0.00 7.00 8.06 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 86 D 8.27 4.64 0.00 2.58 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 87 T 7.77 4.55 4.15 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 1.15 0.00 0.00 88 D 7.67 4.73 0.00 1.58 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 0.00 0.00 0.00 89 G 7.48 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 0.00 0.00 0.00 90 S 8.01 5.33 0.00 3.53 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 91 C 8.25 4.78 0.00 3.14 2.85 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 92 T 8.63 4.98 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 1.23 0.00 0.00 93 V 8.91 4.44 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 1.06 0.00 0.00 0.95 0.00 0.00 94 R 8.59 5.17 0.00 1.76 1.90 0.00 3.30 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 95 W 9.42 5.30 0.00 3.35 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 96 E 7.95 5.20 0.00 1.78 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 0.00 2.03 2.05 0.00 97 N 7.96 4.45 0.00 2.63 2.32 0.00 0.00 6.05 7.13 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 98 K 8.90 3.96 0.00 1.77 1.93 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.43 7.81 99 T 9.02 4.50 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 1.26 0.00 0.00 *101 Y 7.68 4.97 0.00 3.03 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 0.00 102 C 10.04 5.18 0.00 3.08 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 0.00 103 I 8.52 5.17 1.92 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 1.26 0.70 0.94 0.00 0.00 104 V 8.80 4.80 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 1.01 0.00 0.00 0.93 0.00 0.00 105 S 9.20 5.24 0.00 3.76 3.29 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 0.00 0.00 0.00 106 V 8.22 5.01 2.09 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 0.78 0.00 0.00 1.08 0.00 0.00 107 F 9.81 5.20 0.00 3.07 3.22 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 0.00 108 G 8.90 4.50 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 0.00 0.00 0.00 109 L 9.04 5.44 0.00 1.64 1.60 1.17 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 110 A 9.71 3.48 0.88 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 0.00 0.00 111 V 7.34 3.69 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 0.52 0.00 0.00 0.78 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.