NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2641 8.1727 122.0496 56.2391 34.1122 173.7936 3 L 4.7511 8.2826 127.1339 53.5516 43.2442 173.9189 4 A 4.7292 8.5911 126.4862 50.4684 23.9268 174.4720 5 V 4.3946 8.3124 119.4674 59.4175 34.2722 175.2195 6 V 3.9768 8.8678 125.7749 62.6430 32.3368 176.5352 7 T 4.6487 8.5230 121.1795 61.4703 69.3234 172.8342 8 G 3.7946 7.6242 108.1134 45.0755 0.0000 173.0810 9 Q 4.7828 8.1937 115.9276 54.7235 31.8903 174.2166 10 I 4.5953 8.7129 120.5977 59.4642 40.2367 175.4733 11 V 4.2297 8.3878 124.9618 61.6100 33.3283 175.1405 12 C 4.7051 8.5737 125.9009 57.4007 28.8107 173.3473 13 T 3.7609 8.4378 118.8737 63.9640 67.2209 173.9635 14 V 4.1475 7.6100 121.2020 60.9887 31.7449 174.1261 15 R 4.6929 7.9523 122.6726 54.1983 32.7241 174.0929 16 H 4.3805 8.4956 116.6803 56.4182 30.6606 175.6516 17 H 4.2468 8.7959 122.4032 58.9860 28.5197 178.2366 18 G 4.3382 7.8088 105.8583 46.0750 0.0000 174.1706 19 L 4.1865 7.8877 121.6350 56.5958 42.4705 177.1710 20 A 3.7022 8.3390 121.1896 54.5844 17.5068 177.6541 21 H 4.9422 8.7005 113.6611 56.4053 29.6649 173.9600 22 D 4.7024 7.4348 118.8197 54.0511 41.4594 176.7423 23 K 4.2863 8.3599 119.1291 56.5368 33.8580 175.9369 24 L 4.9013 8.4413 122.0906 52.5737 44.1205 174.1464 25 L 4.9670 8.4159 125.1616 54.6448 45.7497 176.8848 *27 V 4.1576 8.3189 118.4454 62.6000 33.5680 174.3308 28 E 5.9281 8.0793 123.2962 53.7012 33.3884 173.6980 *30 I 4.1213 8.2938 118.5462 60.8870 38.2138 175.3672 31 D 4.5254 8.3210 125.4011 52.5188 39.5807 175.6635 32 P 4.4502 0.0000 0.0000 64.7601 31.0230 177.5885 33 Q 4.1245 7.8125 118.6496 58.2648 29.0200 176.0933 34 G 4.0126 7.5842 112.6149 45.6496 0.0000 171.7209 35 N 5.0750 9.0620 119.3305 49.7084 42.0919 172.1693 36 P 4.3380 0.0000 0.0000 62.6940 31.1839 176.9018 37 D 4.3534 8.4751 123.8779 55.6084 41.3491 176.2581 38 G 4.0505 7.6039 104.9505 45.7618 0.0000 174.1758 39 Q 4.1663 7.7924 119.0013 55.8959 29.4099 174.5799 40 C 5.4923 8.2157 118.7270 58.5273 32.2390 172.9676 41 A 4.5114 8.4257 121.6507 51.5551 22.2592 175.2737 42 V 4.6857 8.3273 116.2450 61.3410 34.3763 175.2568 43 A 4.8560 8.9347 128.1092 49.8941 23.0156 175.0999 44 I 3.9888 8.2831 121.4334 61.0107 39.6030 174.3525 45 D 5.0581 9.2325 128.9172 52.5750 43.3639 175.2908 46 N 5.1251 9.0045 122.1854 52.4415 37.9763 174.8671 47 I 4.1612 8.1650 111.8492 60.7871 39.6730 175.7450 48 G 3.9156 8.1233 109.3771 45.7996 0.0000 173.5524 49 A 4.3540 8.7643 120.9873 51.1475 20.2521 177.9732 50 G 4.1373 8.6030 111.2569 43.5107 0.0000 173.2104 51 T 3.9915 8.1295 114.4593 63.2484 67.8438 173.8420 52 G 4.2216 9.2852 116.4576 45.5356 0.0000 174.0332 53 E 4.5134 7.8391 118.3870 56.1199 31.1472 176.0752 54 W 5.0049 8.9176 122.0786 55.8943 31.1844 175.8594 55 V 4.9049 9.3116 117.1015 59.5981 36.2991 173.7439 56 L 5.1449 8.6365 123.1582 53.4747 44.0993 175.0352 57 L 5.3932 8.8132 126.3491 52.8529 44.8046 176.2042 58 V 4.5181 8.8176 121.8606 60.0322 34.1072 175.2259 59 S 5.5712 8.1976 119.3771 56.8540 66.0726 174.4081 60 G 3.8439 8.4222 106.7519 45.4244 0.0000 173.8003 61 S 4.0938 8.7816 112.7948 62.0438 62.8584 176.3248 62 S 4.0447 8.3319 118.2091 61.3450 62.1927 176.7905 63 A 3.9842 7.7559 122.5555 55.1751 18.3625 179.3687 64 R 4.0260 8.0690 116.7008 59.8341 30.5564 179.3196 65 Q 3.9173 8.1055 116.6254 58.9948 28.9365 178.2946 66 A 4.1271 8.0117 118.3050 53.7426 18.5211 176.8490 67 H 4.7985 8.2262 114.6215 57.0116 30.7068 174.5228 68 K 4.6851 6.7917 116.0425 55.6557 40.3500 177.8454 69 S 4.5715 7.2285 111.5103 58.3939 65.4973 175.7227 70 E 4.0179 9.0043 119.1309 59.7674 29.4206 178.0147 71 T 4.1472 7.9487 107.3711 62.2101 68.8391 173.7425 72 S 5.0045 8.0250 119.7459 56.6527 64.3993 173.2858 73 P 4.6683 0.0000 0.0000 62.4632 30.7125 176.3721 74 V 4.4836 7.3813 110.2513 60.3959 35.0503 175.8366 75 D 4.9714 8.5659 120.7643 52.9987 41.5992 174.9942 76 L 5.1082 7.5979 121.5075 53.7623 45.9218 174.3971 77 C 5.1756 8.6962 125.1888 58.0887 35.5996 172.9645 78 V 4.3290 8.2608 126.9328 61.2133 31.7230 175.9811 79 I 4.4869 8.9842 119.3767 59.1464 38.4171 175.6333 80 G 4.3659 7.5166 112.7723 47.0232 0.0000 172.1151 81 I 4.8772 8.2250 122.4265 59.6885 39.1671 175.2582 82 V 4.2385 8.3628 126.1801 62.2035 31.8721 175.4961 83 D 4.6083 9.0305 128.3594 56.9953 41.7612 175.8742 84 E 4.7273 7.7156 112.2663 55.5992 32.5770 174.4383 85 V 4.5680 9.0631 120.1128 61.1910 35.2453 174.1656 86 V 4.8093 8.4413 126.7689 60.9330 33.7112 174.0985 87 S 4.6860 9.1362 129.0429 58.6142 59.8455 177.8009 88 G 3.8203 9.1248 107.0580 44.9617 0.0000 173.3237 89 G 4.1636 8.3314 113.9555 46.2661 0.0000 170.8772 90 Q 4.2589 7.5218 120.2406 53.8004 31.8456 173.9189 91 V 4.2380 8.4456 125.7059 62.9148 30.9199 175.1714 92 I 4.2385 8.3674 121.9250 62.1869 38.6917 175.8530 93 F 4.6343 7.7513 124.3701 57.1861 42.7195 172.2653 94 H 4.4144 7.1321 124.0742 53.7635 32.8838 172.7643 95 K 3.7888 8.5393 127.0242 56.9346 31.5778 176.0586 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 2 K 8.17 4.26 0.00 1.87 1.70 0.00 1.49 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.43 7.81 3 L 8.28 4.75 0.00 1.74 1.39 1.09 0.57 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 4 A 8.59 4.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.31 4.39 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 0.54 0.00 0.00 0.95 0.00 0.00 6 V 8.87 3.98 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 0.97 0.00 0.00 0.97 0.00 0.00 7 T 8.52 4.65 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 G 7.62 3.79 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 0.00 0.00 0.00 9 Q 8.19 4.78 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.67 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00 10 I 8.71 4.60 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.67 0.90 0.00 0.00 11 V 8.39 4.23 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 0.81 0.00 0.00 0.93 0.00 0.00 12 C 8.57 4.71 0.00 2.93 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 13 T 8.44 3.76 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 14 V 7.61 4.15 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 0.89 0.00 0.00 0.92 0.00 0.00 15 R 7.95 4.69 0.00 1.89 1.84 0.00 3.25 0.00 0.00 3.08 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.53 0.00 16 H 8.50 4.38 0.00 3.17 3.24 0.00 5.67 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.80 4.25 0.00 3.14 3.31 0.00 5.87 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 18 G 7.81 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 0.00 0.00 0.00 0.00 19 L 7.89 4.19 0.00 1.88 1.77 0.93 1.02 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 20 A 8.34 3.70 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 21 H 8.70 4.94 0.00 3.08 3.29 0.00 5.72 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 7.43 4.70 0.00 2.54 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 23 K 8.36 4.29 0.00 1.74 1.73 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.58 7.81 24 L 8.44 4.90 0.00 1.76 1.54 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.42 4.97 0.00 1.62 1.27 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 *27 V 8.32 4.16 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 0.63 0.00 0.00 0.94 0.00 0.00 28 E 8.08 5.93 0.00 1.93 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 2.07 2.18 0.00 *30 I 8.29 4.12 1.43 0.00 0.00 -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 0.85 0.22 0.57 0.00 0.00 31 D 8.32 4.53 0.00 2.86 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 32 P 0.00 4.45 0.00 2.21 2.23 0.00 3.75 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 2.00 2.00 0.00 33 Q 7.81 4.12 0.00 2.37 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.75 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 34 G 7.58 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 35 N 9.06 5.08 0.00 2.81 2.72 0.00 0.00 6.79 6.15 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 36 P 0.00 4.34 0.00 2.17 2.20 0.00 3.71 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 2.05 1.94 0.00 37 D 8.48 4.35 0.00 2.65 2.66 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 38 G 7.60 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 0.00 0.00 0.00 0.00 39 Q 7.79 4.17 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 40 C 8.22 5.49 0.00 2.76 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 41 A 8.43 4.51 1.16 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 0.00 0.00 42 V 8.33 4.69 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 0.83 0.00 0.00 0.91 0.00 0.00 43 A 8.93 4.86 1.16 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 0.00 0.00 44 I 8.28 3.99 1.76 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 0.76 1.13 0.80 0.00 0.00 45 D 9.23 5.06 0.00 2.78 2.61 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 46 N 9.00 5.13 0.00 2.87 3.18 0.00 0.00 6.16 7.81 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 47 I 8.16 4.16 1.89 0.00 0.00 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 1.52 0.72 0.93 0.00 0.00 48 G 8.12 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 0.00 0.00 0.00 49 A 8.76 4.35 1.29 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 0.00 0.00 50 G 8.60 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 0.00 0.00 0.00 0.00 51 T 8.13 3.99 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 1.23 0.00 0.00 52 G 9.29 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 0.00 0.00 0.00 0.00 53 E 7.84 4.51 0.00 2.24 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 0.00 2.45 2.38 0.00 54 W 8.92 5.00 0.00 2.58 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 55 V 9.31 4.90 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 0.77 0.00 0.00 0.96 0.00 0.00 56 L 8.64 5.14 0.00 1.79 1.51 0.97 0.54 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 57 L 8.81 5.39 0.00 1.49 1.51 0.87 0.97 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 58 V 8.82 4.52 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 59 S 8.20 5.57 0.00 3.90 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 60 G 8.42 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 61 S 8.78 4.09 0.00 4.06 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 0.00 62 S 8.33 4.04 0.00 4.03 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 63 A 7.76 3.98 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.07 4.03 0.00 1.95 2.02 0.00 3.46 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.79 0.00 65 Q 8.11 3.92 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.99 0.00 0.00 0.00 0.00 0.00 2.46 2.32 0.00 66 A 8.01 4.13 1.41 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 0.00 0.00 0.00 67 H 8.23 4.80 0.00 3.19 3.49 0.00 5.80 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 68 K 6.79 4.69 0.00 1.73 1.64 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.07 7.81 69 S 7.23 4.57 0.00 3.94 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 70 E 9.00 4.02 0.00 1.98 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 0.00 2.32 2.26 0.00 71 T 7.95 4.15 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 1.22 0.00 0.00 72 S 8.02 5.00 0.00 4.08 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 73 P 0.00 4.67 0.00 2.10 2.02 0.00 3.79 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 1.99 2.09 0.00 74 V 7.38 4.48 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 0.74 0.00 0.00 0.91 0.00 0.00 75 D 8.57 4.97 0.00 2.66 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 76 L 7.60 5.11 0.00 1.66 1.52 0.95 0.76 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 77 C 8.70 5.18 0.00 3.01 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.26 4.33 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 0.84 0.00 0.00 0.98 0.00 0.00 79 I 8.98 4.49 1.88 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 1.17 0.60 0.92 0.00 0.00 80 G 7.52 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 0.00 0.00 0.00 0.00 81 I 8.23 4.88 1.92 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 1.27 0.95 1.00 0.00 0.00 82 V 8.36 4.24 2.52 0.00 0.00 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 1.11 0.00 0.00 83 D 9.03 4.61 0.00 2.62 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 E 7.72 4.73 0.00 1.95 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 2.13 2.28 0.00 85 V 9.06 4.57 2.28 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 1.09 0.00 0.00 1.23 0.00 0.00 86 V 8.44 4.81 2.11 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 0.88 0.00 0.00 0.97 0.00 0.00 87 S 9.14 4.69 0.00 3.94 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 88 G 9.12 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 89 G 8.33 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 0.00 0.00 0.00 0.00 90 Q 7.52 4.26 0.00 2.24 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.93 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 91 V 8.45 4.24 2.04 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 0.85 0.00 0.00 0.90 0.00 0.00 92 I 8.37 4.24 1.98 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.89 1.07 0.00 0.00 93 F 7.75 4.63 0.00 1.92 2.36 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.13 4.41 0.00 2.85 2.78 0.00 5.81 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.54 3.79 0.00 1.53 1.44 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.73 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.