NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 S 4.4534 8.3349 116.7906 58.9247 64.2800 171.9196 22 S 4.4556 7.9215 115.5070 55.2246 66.6247 171.6513 23 P 4.7798 0.0000 0.0000 62.2473 33.1681 175.4721 24 S 4.5455 9.1999 115.2962 57.6118 64.0843 173.8738 25 E 3.7863 9.7244 126.5817 57.4322 26.2389 175.3738 26 G 4.0070 8.1554 102.2745 45.7226 0.0000 171.6847 27 L 5.2649 7.7730 118.5762 53.0998 46.2115 174.8461 28 C 5.2273 9.3522 119.4420 54.3399 39.7728 172.0316 29 P 2.9700 0.0000 0.0000 60.8525 32.5062 173.6558 30 P 4.1174 0.0000 0.0000 64.0508 31.9033 177.2484 31 G 4.3595 9.7531 110.4001 43.6964 0.0000 172.2046 32 H 5.3455 7.5798 115.4572 54.7304 33.6843 172.0087 33 H 5.3482 8.7819 113.1056 54.1953 31.7891 173.2258 34 I 4.3951 8.1363 121.3615 60.7150 38.7967 175.4816 35 S 4.3757 8.5538 121.9879 57.6997 64.1931 174.8380 36 E 3.8795 8.6895 120.6825 58.8594 29.4576 176.7904 37 D 4.5063 8.0954 115.4715 52.8309 39.8760 177.0003 38 G 3.9193 7.5966 107.4386 46.3605 0.0000 175.0204 39 R 4.1026 8.4295 119.4594 57.7837 30.6760 175.7668 40 D 5.0546 8.3148 116.7453 52.4653 44.9896 174.7940 41 C 5.1621 8.4103 115.4308 55.6690 44.1312 174.2217 42 I 4.3517 8.0216 125.2912 60.0888 38.5788 176.0012 43 S 4.6657 8.4363 119.7954 58.1619 63.4147 174.0933 44 C 4.6631 8.7512 122.6930 56.2642 41.1021 173.7461 45 K 4.1280 9.3719 125.3931 55.9291 31.6586 175.5722 46 Y 4.0235 8.7221 127.7118 59.2660 38.9299 176.8404 47 G 3.8361 7.7835 112.3186 46.0279 0.0000 173.2652 48 Q 4.3425 7.7777 116.7675 54.7058 31.6994 176.9881 49 D 5.4984 7.7734 121.5811 52.4717 43.2195 174.1625 50 Y 4.7378 7.6238 114.8526 58.6978 40.5941 172.6919 51 S 4.5858 8.2121 112.0280 58.9292 64.5127 177.0844 52 T 4.3920 8.6779 115.0461 61.8642 69.1109 173.4048 53 H 5.1326 7.5991 117.7353 53.8192 33.3199 172.9369 54 W 4.3895 9.0903 119.6003 57.9764 29.7406 175.4563 55 N 4.9475 9.0571 119.0870 52.5997 40.4582 175.1453 56 D 4.9202 8.3512 117.0475 53.8470 40.5555 175.7869 57 L 4.1513 8.3808 118.8537 55.8324 42.1583 177.9490 58 L 4.2370 8.2233 120.0461 55.7728 42.2603 177.2692 59 F 4.5627 7.5271 116.4725 55.3254 42.6240 174.8095 60 C 4.2961 8.8762 122.9940 57.1965 41.6530 173.8379 61 L 4.1366 8.0667 123.2026 55.1715 42.4664 176.8622 62 R 4.4600 8.4821 121.7206 56.0117 30.7480 177.3703 63 C 4.7287 9.0582 121.5892 57.4995 41.0491 173.9001 64 T 4.2323 8.0658 117.5794 63.2037 68.8431 174.3833 65 R 4.4444 8.2323 125.4912 54.3906 31.3200 176.7343 66 C 4.5952 8.7020 122.9268 57.2305 39.3350 172.2242 67 D 5.0446 8.5978 119.9646 50.9953 41.9270 177.0236 68 S 3.6848 8.6816 114.7008 60.6875 62.8233 175.3330 69 G 3.9730 8.4589 108.8855 45.1890 0.0000 172.2096 70 E 5.1235 8.9092 119.5890 54.4391 33.1149 175.6206 71 V 4.5007 8.3188 113.1026 59.6567 36.0299 175.2986 72 E 4.7385 8.6041 123.2381 55.7614 29.8221 177.1478 73 L 4.2203 8.9545 126.5896 57.1646 42.4507 178.0343 74 S 4.8398 7.8153 112.0896 55.8406 66.7808 172.4647 75 P 5.2116 0.0000 0.0000 61.8978 33.3546 175.2527 76 C 4.6289 8.4499 119.3405 55.8339 43.2570 173.0374 77 T 3.8447 7.9807 114.3496 59.3361 71.7177 174.5447 78 T 4.0053 8.3672 109.9718 63.3366 68.9139 175.5445 79 T 4.8768 7.5131 109.6080 60.7956 70.5243 173.9632 80 R 4.5692 8.2133 121.9544 54.2306 32.6002 174.3507 81 N 4.2039 7.9469 119.0171 51.4128 40.5547 174.5748 82 T 4.0471 7.7699 120.4145 63.3936 69.5219 173.4557 83 V 4.3463 8.2883 122.0892 61.5932 34.3426 173.4154 84 C 5.4209 8.8876 125.5076 55.3540 41.4232 173.2011 85 Q 4.7162 8.7716 123.8737 53.9925 32.4328 173.7126 86 C 4.6493 8.5363 122.6081 56.7163 40.9603 173.2614 87 E 4.0824 8.4843 124.6523 55.7858 30.8412 175.7233 88 E 3.9731 8.5459 123.4846 57.9216 29.8470 176.3710 89 G 4.0414 9.1774 114.6625 44.9305 0.0000 172.8529 90 T 5.0420 7.8595 109.6608 60.3034 72.0643 173.2563 91 F 4.7524 8.5487 115.4595 56.0679 41.9955 172.7620 92 R 4.7331 8.2924 119.7627 54.9296 33.9114 173.4464 93 E 4.9913 8.5083 117.4515 55.1683 32.2662 175.7170 94 E 4.0031 9.3315 122.0936 59.8954 29.1976 178.7217 95 D 4.5082 8.1247 117.8545 55.5373 41.7029 176.5642 96 S 4.7300 7.7850 112.7535 56.3499 62.4267 172.5007 97 P 4.4759 0.0000 0.0000 64.6453 32.3426 177.8195 98 E 4.1675 7.9898 118.4419 58.7078 29.9181 176.4560 99 M 4.7375 7.3877 115.8597 53.6369 35.4134 174.6038 100 C 4.5114 8.5841 122.6514 56.9927 40.3046 173.1425 101 R 4.7577 8.1456 121.8428 53.7963 33.6353 175.3308 102 K 4.4309 8.5402 121.3337 56.6820 32.3362 176.2631 *116 D 4.3224 8.5591 124.1396 53.7350 42.1751 174.1553 117 C 4.2669 8.3250 122.8116 59.4037 32.1660 172.5128 118 T 4.5517 8.0582 114.9848 59.9805 71.6261 172.2971 119 P 4.2842 0.0000 0.0000 63.2107 31.1397 177.1911 120 W 5.2014 7.5710 116.0266 55.3521 31.2194 174.9576 121 S 4.6349 7.9200 111.7062 56.4791 65.1590 172.3401 122 D 4.2483 7.7154 123.8757 51.7858 42.5095 176.3569 123 I 3.7840 8.0674 114.4627 61.4332 37.1335 175.5526 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 21 S 8.33 4.45 0.00 3.94 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 22 S 7.92 4.46 0.00 3.89 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 23 P 0.00 4.78 0.00 2.23 2.06 0.00 3.50 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 24 S 9.20 4.55 0.00 3.98 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 25 E 9.72 3.79 0.00 2.06 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 2.20 2.18 0.00 26 G 8.16 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 27 L 7.77 5.26 0.00 1.95 1.95 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 28 C 9.35 5.23 0.00 2.70 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 29 P 0.00 2.97 0.00 1.56 0.98 0.00 3.20 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.48 0.00 30 P 0.00 4.12 0.00 1.90 1.91 0.00 3.31 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 31 G 9.75 4.36 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 0.00 0.00 0.00 32 H 7.58 5.35 0.00 2.88 3.22 0.00 5.65 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.78 5.35 0.00 3.22 3.30 0.00 5.73 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.14 4.40 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.95 0.93 0.00 0.00 35 S 8.55 4.38 0.00 3.91 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 36 E 8.69 3.88 0.00 1.90 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 2.28 2.24 0.00 37 D 8.10 4.51 0.00 2.82 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 38 G 7.60 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 39 R 8.43 4.10 0.00 2.19 1.98 0.00 3.33 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 40 D 8.31 5.05 0.00 2.49 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 41 C 8.41 5.16 0.00 2.69 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 42 I 8.02 4.35 1.53 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.43 0.90 0.00 0.00 43 S 8.44 4.67 0.00 3.76 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 44 C 8.75 4.66 0.00 2.95 3.23 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 45 K 9.37 4.13 0.00 1.95 1.76 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.42 7.81 46 Y 8.72 4.02 0.00 3.01 2.88 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 47 G 7.78 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 48 Q 7.78 4.34 0.00 2.18 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.49 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 49 D 7.77 5.50 0.00 2.80 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 50 Y 7.62 4.74 0.00 3.14 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 51 S 8.21 4.59 0.00 3.90 3.87 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 52 T 8.68 4.39 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 1.47 0.00 0.00 53 H 7.60 5.13 0.00 3.08 3.32 0.00 5.71 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 W 9.09 4.39 0.00 3.19 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 55 N 9.06 4.95 0.00 2.81 3.05 0.00 0.00 6.56 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 56 D 8.35 4.92 0.00 2.66 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 57 L 8.38 4.15 0.00 1.70 1.62 0.86 0.61 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 58 L 8.22 4.24 0.00 1.46 0.65 0.86 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 59 F 7.53 4.56 0.00 2.92 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 60 C 8.88 4.30 0.00 3.01 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 61 L 8.07 4.14 0.00 1.05 1.44 0.71 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 62 R 8.48 4.46 0.00 1.72 1.90 0.00 3.38 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 63 C 9.06 4.73 0.00 2.85 2.95 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 64 T 8.07 4.23 4.21 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 1.20 0.00 0.00 65 R 8.23 4.44 0.00 1.74 1.81 0.00 3.40 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 66 C 8.70 4.60 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.60 5.04 0.00 2.84 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 68 S 8.68 3.68 0.00 3.98 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 69 G 8.46 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 0.00 0.00 0.00 70 E 8.91 5.12 0.00 1.87 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 2.18 2.35 0.00 71 V 8.32 4.50 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 0.81 0.00 0.00 0.91 0.00 0.00 72 E 8.60 4.74 0.00 1.91 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 2.34 2.32 0.00 73 L 8.95 4.22 0.00 1.55 1.75 0.94 1.25 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 74 S 7.82 4.84 0.00 3.83 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.21 0.00 2.11 2.16 0.00 3.36 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.85 0.00 76 C 8.45 4.63 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 77 T 7.98 3.84 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 1.19 0.00 0.00 78 T 8.37 4.01 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 1.32 0.00 0.00 79 T 7.51 4.88 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 1.28 0.00 0.00 80 R 8.21 4.57 0.00 1.78 1.72 0.00 3.09 0.00 0.00 3.05 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 81 N 7.95 4.20 0.00 1.58 2.41 0.00 0.00 7.01 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 82 T 7.77 4.05 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 1.19 0.00 0.00 83 V 8.29 4.35 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 1.12 0.00 0.00 0.94 0.00 0.00 84 C 8.89 5.42 0.00 2.87 3.18 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 85 Q 8.77 4.72 0.00 2.10 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.99 0.00 0.00 0.00 0.00 0.00 1.93 2.00 0.00 86 C 8.54 4.65 0.00 2.69 2.88 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 87 E 8.48 4.08 0.00 2.16 1.79 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 2.28 2.23 0.00 88 E 8.55 3.97 0.00 1.93 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 2.26 2.29 0.00 89 G 9.18 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 0.00 0.00 0.00 0.00 90 T 7.86 5.04 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 1.19 0.00 0.00 91 F 8.55 4.75 0.00 3.04 3.16 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 92 R 8.29 4.73 0.00 1.85 1.83 0.00 3.09 0.00 0.00 2.96 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 93 E 8.51 4.99 0.00 2.16 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 2.34 2.47 0.00 94 E 9.33 4.00 0.00 2.14 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 0.00 2.35 2.42 0.00 95 D 8.12 4.51 0.00 2.73 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 96 S 7.78 4.73 0.00 3.84 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 P 0.00 4.48 0.00 2.20 2.22 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 98 E 7.99 4.17 0.00 1.95 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 2.29 2.22 0.00 99 M 7.39 4.74 0.00 1.82 1.81 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 100 C 8.58 4.51 0.00 2.81 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 0.00 101 R 8.15 4.76 0.00 1.48 1.73 0.00 2.91 0.00 0.00 2.48 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.36 0.00 102 K 8.54 4.43 0.00 1.69 1.81 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.47 7.81 *116 D 8.56 4.32 0.00 2.66 2.62 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 0.00 117 C 8.33 4.27 0.00 2.91 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 0.00 118 T 8.06 4.55 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 1.31 0.00 0.00 119 P 0.00 4.28 0.00 0.93 2.00 0.00 2.99 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.21 0.00 120 W 7.57 5.20 0.00 3.54 3.19 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 0.00 121 S 7.92 4.63 0.00 4.00 3.70 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 0.00 122 D 7.72 4.25 0.00 1.58 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 0.00 0.00 0.00 0.00 123 I 8.07 3.78 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.46 0.87 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.