NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.5449 8.2493 122.4652 52.2651 19.9822 175.7451 3 Q 5.1463 8.2791 116.4334 54.4649 31.7084 171.9123 4 K 4.6209 9.4454 121.9289 55.2213 36.6392 175.7683 5 T 5.2455 8.2022 121.6966 61.2553 70.7458 173.5641 6 F 5.1245 9.0974 122.8421 55.4324 44.1608 174.0215 7 K 4.6972 8.6070 118.2371 55.0451 34.8628 174.4006 8 V 4.0347 8.5062 121.1838 61.9867 31.8138 177.0844 9 T 3.9709 8.7056 119.9493 63.2157 67.6433 175.0787 10 A 4.0817 7.2446 123.1122 52.7077 18.7793 178.0607 11 D 4.3717 8.7735 121.1651 56.3947 41.5449 177.0249 12 S 4.5464 8.0146 110.6819 56.9591 64.0867 175.6404 13 G 3.7369 7.3059 109.7626 45.3338 0.0000 174.2567 14 I 3.9631 7.2750 120.1246 61.1210 35.8009 174.7522 15 H 4.6139 8.2945 121.6554 56.3744 32.8067 172.9359 16 A 3.6749 8.6590 121.6713 53.8026 17.8925 177.3185 17 R 3.9029 8.6162 110.1298 59.6602 30.1580 176.8159 18 P 4.1604 0.0000 0.0000 65.7075 31.4109 178.0878 19 A 3.9379 8.1299 119.3252 55.7789 18.2948 179.8188 20 T 3.8263 7.5712 114.0187 66.7406 68.4058 177.1062 21 V 3.5727 8.0521 120.6234 65.7674 31.6488 177.8216 22 L 3.9178 8.2900 120.6157 58.2248 42.0574 179.1980 23 V 4.3338 7.7280 119.5138 65.6672 31.2470 177.9969 24 Q 4.6309 7.8386 118.0512 58.1703 28.7979 178.3186 25 T 4.1313 7.7993 116.7619 66.3039 68.4591 176.5876 26 A 4.3150 7.8528 120.7088 53.9954 18.2725 178.6927 27 S 4.5008 7.5405 111.0542 59.1748 63.5535 175.7871 28 K 3.7851 7.7572 121.1282 56.7961 32.2477 176.0959 29 Y 4.7979 6.6957 116.7777 55.7367 40.6752 175.6663 30 D 4.4048 9.0072 123.3045 57.3251 41.1814 176.8617 31 A 4.0978 8.1632 119.8526 52.7925 19.3944 177.9936 32 D 4.7009 8.5424 119.1102 52.9839 41.2098 175.2205 33 V 4.0932 8.0538 123.3265 62.5770 33.1484 174.2520 34 N 5.4886 8.7057 123.4238 51.5811 43.5748 173.3248 35 L 4.8733 8.7637 121.9799 54.4022 44.8344 174.0477 36 E 5.1464 8.9200 128.3878 55.5459 30.7349 174.3188 37 Y 4.4856 9.3590 124.1289 57.4254 43.0545 173.8692 38 N 3.8486 9.3622 125.5861 54.4700 38.0766 173.1760 39 G 3.5823 8.4354 98.7224 44.1407 0.0000 174.6762 40 K 4.2356 7.1810 114.7675 56.1976 37.2206 174.2823 41 T 5.1755 8.8796 124.2290 61.9805 70.9210 173.9905 42 V 4.6165 8.5398 117.9934 59.0158 36.4016 174.4671 43 N 4.7135 8.6815 121.3473 53.9369 39.3654 174.5406 44 L 4.1658 8.8807 126.9962 55.4317 43.1264 176.8138 45 K 4.6515 8.7626 120.6071 55.8933 30.9292 175.8222 *47 I 4.2368 7.4373 122.6104 61.5875 39.6381 178.5928 48 M 4.0495 8.1923 118.3748 58.4091 32.3394 178.1593 49 G 3.6629 8.1535 107.2986 47.7599 0.0000 175.4203 50 V 3.5067 8.0388 120.6727 65.8718 31.3097 177.5459 51 M 4.3540 7.8338 115.8931 56.3924 32.1559 177.3549 52 S 4.4288 8.0160 114.2978 60.0730 64.1948 176.6391 53 L 3.8980 7.3720 120.0201 57.5043 41.4555 178.7999 54 G 3.7224 7.8728 103.4182 45.9784 0.0000 173.9223 55 I 3.1877 7.3898 119.9198 60.8921 37.4502 175.9949 56 A 4.7743 8.1806 127.5108 49.2573 21.7605 175.0107 57 K 4.0616 8.3863 120.3083 58.3765 31.9769 175.5145 58 G 4.2312 9.0168 120.7742 45.0033 0.0000 174.2875 59 A 4.2820 7.8004 120.6313 50.8085 20.3751 175.2471 60 E 5.4331 8.8758 115.8691 53.7429 31.9418 175.8102 61 I 4.6765 8.3409 117.1772 60.4347 41.5318 174.6029 62 T 4.7511 8.2410 118.9864 63.0886 71.8131 173.0335 63 I 4.4973 8.7510 128.3643 61.2889 38.3848 176.4544 64 S 5.2190 8.6435 124.7299 58.2181 65.3664 173.2913 65 A 4.7663 8.3037 123.3102 52.5636 20.7827 177.5130 66 S 5.0197 7.7274 110.1984 57.7299 63.8326 174.2354 67 G 3.9554 7.9464 116.3745 45.3780 0.0000 171.5542 68 A 3.9819 8.7609 122.3642 54.4923 18.5394 178.1651 69 D 4.8079 7.8458 113.1926 52.0832 40.8233 176.7716 70 E 3.9949 8.9302 120.1920 59.5145 29.2193 177.8174 71 N 4.5394 8.1012 117.7984 55.5739 39.1935 176.5815 72 D 4.3202 7.9759 119.6400 57.4210 40.8457 179.2157 73 A 2.5800 7.2756 120.6522 54.5630 18.6330 178.9820 74 L 3.7557 7.2648 117.2184 58.4607 42.0194 179.0664 75 N 4.2625 8.1971 115.8993 56.3499 38.6354 177.0151 76 A 4.0519 7.8460 122.0150 55.4757 18.3446 179.6275 77 L 3.9832 8.6753 117.7736 58.0054 41.5185 179.6653 78 E 4.1487 8.1482 118.4283 59.2561 29.3413 178.5608 79 E 3.9465 8.2595 119.6862 59.8435 29.7760 179.1295 80 T 3.8502 7.8274 108.8901 65.1855 68.7732 176.0730 81 M 3.9922 8.3791 121.9836 57.0736 31.8952 177.8441 82 K 4.4227 7.7001 117.0235 57.1462 33.9863 178.6888 83 S 4.2001 7.9959 116.3451 61.6109 62.9833 175.6948 84 E 4.2967 7.9302 117.4268 55.6021 29.5096 175.6938 85 G 3.6249 7.6654 105.8988 46.5005 0.0000 174.5407 86 L 4.7325 8.4781 118.7978 52.8415 42.0453 176.7066 87 G 4.5348 8.8770 105.7266 44.5956 0.0000 171.8055 88 E 4.8338 8.5059 115.2512 57.1944 28.9376 176.1614 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 A 8.25 4.54 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 3 Q 8.28 5.15 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.69 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 4 K 9.45 4.62 0.00 1.70 1.64 0.00 1.66 0.00 0.00 0.99 0.00 0.00 2.65 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.30 0.97 7.81 5 T 8.20 5.25 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 1.34 0.00 0.00 6 F 9.10 5.12 0.00 2.91 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 7 K 8.61 4.70 0.00 1.82 1.97 0.00 1.56 0.00 0.00 1.83 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.47 7.81 8 V 8.51 4.03 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 0.69 0.00 0.00 1.18 0.00 0.00 9 T 8.71 3.97 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 1.27 0.00 0.00 10 A 7.24 4.08 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 11 D 8.77 4.37 0.00 2.66 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 12 S 8.01 4.55 0.00 4.02 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 13 G 7.31 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 0.00 0.00 0.00 14 I 7.28 3.96 1.68 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 1.17 0.34 0.80 0.00 0.00 15 H 8.29 4.61 0.00 3.12 3.13 0.00 5.76 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.66 3.67 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 17 R 8.62 3.90 0.00 1.90 1.99 0.00 3.22 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 18 P 0.00 4.16 0.00 2.13 2.11 0.00 3.69 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 2.12 2.19 0.00 19 A 8.13 3.94 1.39 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 20 T 7.57 3.83 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 1.20 0.00 0.00 21 V 8.05 3.57 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 1.04 0.00 0.00 1.02 0.00 0.00 22 L 8.29 3.92 0.00 1.70 1.76 0.81 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.73 4.33 2.19 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 1.20 0.00 0.00 0.98 0.00 0.00 24 Q 7.84 4.63 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 25 T 7.80 4.13 4.42 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 1.34 0.00 0.00 26 A 7.85 4.32 1.38 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 0.00 0.00 0.00 27 S 7.54 4.50 0.00 4.15 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 28 K 7.76 3.79 0.00 1.18 1.38 0.00 1.57 0.00 0.00 1.58 0.00 0.00 3.19 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.64 7.81 29 Y 6.70 4.80 0.00 2.92 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 30 D 9.01 4.40 0.00 2.90 2.77 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 31 A 8.16 4.10 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 32 D 8.54 4.70 0.00 2.70 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 33 V 8.05 4.09 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 1.05 0.00 0.00 1.02 0.00 0.00 34 N 8.71 5.49 0.00 2.65 2.68 0.00 0.00 6.54 6.74 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 35 L 8.76 4.87 0.00 1.67 1.49 0.86 0.85 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 36 E 8.92 5.15 0.00 2.11 1.83 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 2.44 2.41 0.00 37 Y 9.36 4.49 0.00 3.03 2.72 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 38 N 9.36 3.85 0.00 1.72 2.40 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 39 G 8.44 3.58 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 0.00 0.00 0.00 40 K 7.18 4.24 0.00 1.98 1.85 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.24 1.29 7.81 41 T 8.88 5.18 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 42 V 8.54 4.62 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 0.74 0.00 0.00 1.00 0.00 0.00 43 N 8.68 4.71 0.00 2.74 2.73 0.00 0.00 6.96 7.78 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 44 L 8.88 4.17 0.00 1.76 1.63 0.90 0.34 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 45 K 8.76 4.65 0.00 1.76 1.76 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.20 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.57 7.81 *47 I 7.44 4.24 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 1.40 0.82 0.90 0.00 0.00 48 M 8.19 4.05 0.00 2.00 2.13 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 2.60 2.54 0.00 49 G 8.15 3.66 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 0.00 50 V 8.04 3.51 2.05 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 0.93 0.00 0.00 0.95 0.00 0.00 51 M 7.83 4.35 0.00 2.07 2.26 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.49 0.00 52 S 8.02 4.43 0.00 4.01 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 0.00 53 L 7.37 3.90 0.00 1.77 1.42 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 54 G 7.87 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 55 I 7.39 3.19 1.63 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.96 0.73 0.00 0.00 56 A 8.18 4.77 1.26 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 57 K 8.39 4.06 0.00 1.83 1.76 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.48 7.81 58 G 9.02 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 0.00 0.00 0.00 0.00 59 A 7.80 4.28 1.52 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 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.88 5.43 0.00 2.19 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 2.17 2.13 0.00 61 I 8.34 4.68 1.95 0.00 0.00 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 1.43 0.99 0.98 0.00 0.00 62 T 8.24 4.75 4.30 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 1.26 0.00 0.00 63 I 8.75 4.50 2.04 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.78 0.93 0.00 0.00 64 S 8.64 5.22 0.00 3.73 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 65 A 8.30 4.77 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 66 S 7.73 5.02 0.00 3.83 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 67 G 7.95 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 68 A 8.76 3.98 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 69 D 7.85 4.81 0.00 2.92 2.87 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 0.00 0.00 0.00 70 E 8.93 3.99 0.00 2.15 2.41 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 2.54 2.35 0.00 71 N 8.10 4.54 0.00 2.73 2.80 0.00 0.00 6.86 7.36 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 72 D 7.98 4.32 0.00 2.67 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 73 A 7.28 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.26 3.76 0.00 1.98 1.74 0.97 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 75 N 8.20 4.26 0.00 2.98 2.83 0.00 0.00 6.87 6.97 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 76 A 7.85 4.05 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.68 3.98 0.00 1.90 1.70 0.91 0.98 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 78 E 8.15 4.15 0.00 2.30 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 0.00 2.68 2.82 0.00 79 E 8.26 3.95 0.00 2.12 2.26 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 2.34 2.41 0.00 80 T 7.83 3.85 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 1.23 0.00 0.00 81 M 8.38 3.99 0.00 1.88 2.35 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.44 0.00 82 K 7.70 4.42 0.00 1.98 2.09 0.00 1.22 0.00 0.00 1.67 0.00 0.00 3.30 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.80 7.81 83 S 8.00 4.20 0.00 3.97 3.97 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 84 E 7.93 4.30 0.00 1.93 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 2.30 2.35 0.00 85 G 7.67 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 86 L 8.48 4.73 0.00 1.51 1.53 0.86 1.15 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 87 G 8.88 4.53 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 0.00 0.00 0.00 88 E 8.51 4.83 0.00 2.08 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 0.00 2.10 2.18 0.00 * Residues marked with a * may have inaccurate shift predictions.