NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3608 8.3149 120.0848 55.6490 34.7733 175.1727 4 I 4.2841 7.4588 121.0369 58.5114 39.2927 173.0428 5 R 5.5808 8.5596 127.6428 53.7416 33.6065 174.3366 6 I 4.7474 8.5902 119.1272 59.1571 40.1549 174.9549 7 K 4.1856 9.1312 129.0043 55.4541 32.9957 176.4834 8 L 4.7758 8.7964 127.4538 53.4287 42.9137 176.5582 9 R 4.9266 8.2785 123.2447 54.2091 33.4153 175.4973 10 G 4.1449 7.9139 106.9893 46.9339 0.0000 174.5878 11 F 4.8126 8.8555 118.2601 59.6062 39.7741 176.3820 12 D 4.7757 8.0358 120.7619 53.6039 41.6967 175.7165 13 H 4.5878 9.0712 121.9497 56.1082 29.1133 175.5442 14 K 4.3122 8.3094 118.9470 58.9070 34.1204 178.6337 15 T 3.8886 7.8224 109.1852 64.3256 68.9519 175.7434 16 L 3.8695 7.9222 123.4813 58.0793 41.8669 177.9440 17 D 4.2711 8.3070 114.9130 58.4631 40.8171 177.7834 18 A 4.0035 8.6095 120.8580 54.7379 18.5543 179.5430 19 S 4.1178 8.4025 110.7914 61.6426 62.9854 176.7281 20 A 4.1330 7.9615 124.1806 54.9192 16.4262 178.5200 21 Q 4.2726 9.1825 116.2258 56.9461 29.0431 177.2282 22 K 4.3377 8.4996 121.1488 59.1513 32.2321 177.9647 23 I 4.0839 7.3124 118.3731 62.6280 37.3825 177.7057 24 V 3.7657 7.6310 118.4040 64.8737 31.6780 176.4772 25 E 4.5738 7.6809 115.4224 56.3606 30.7147 176.5632 26 A 4.5849 7.8318 121.2150 52.1970 18.6052 178.0296 27 A 5.1782 8.2809 121.4885 54.3354 23.1815 180.0269 28 R 4.0859 8.0794 113.8242 58.9329 30.2926 177.5361 29 R 4.2629 7.8983 115.5424 56.8231 30.6456 176.4035 30 S 4.7758 8.3787 111.9403 57.9573 64.2167 171.5368 31 G 4.7383 8.6116 109.3375 45.1626 0.0000 175.7050 32 A 3.8952 8.4442 131.5482 50.7860 19.2122 176.3494 33 Q 4.6275 8.3473 116.7470 55.0032 30.8489 175.5995 34 V 5.2831 8.5368 120.7821 60.1146 35.3005 174.6776 35 S 4.6559 8.2186 118.2914 56.8536 64.3879 173.6301 36 G 3.8404 8.4869 113.3224 41.8409 0.0000 170.1768 37 P 4.4843 0.0000 0.0000 62.9158 32.0635 175.7267 38 I 4.2301 9.2448 120.8025 59.2316 39.1932 173.3436 39 P 5.1906 0.0000 0.0000 60.8214 31.6696 175.5531 40 L 4.5345 8.5047 125.6518 53.6847 41.9633 174.7516 41 P 4.0982 0.0000 0.0000 63.0666 31.4539 176.0747 42 T 4.1219 8.3903 118.0193 64.0603 69.4548 174.5515 43 R 4.5601 8.5478 122.0163 54.0644 31.2961 175.0196 44 V 4.0153 8.1345 122.3349 62.1365 32.7503 175.2385 45 R 4.8019 7.7558 123.5928 55.4464 29.9586 174.9472 46 R 3.8494 8.0418 117.9223 56.2947 31.7462 177.2157 47 F 4.7860 7.3778 113.2241 57.1279 40.7018 173.7180 48 T 4.7337 8.6364 122.7940 63.2360 70.2060 174.6525 49 V 4.3564 7.5667 120.2439 60.5296 35.0729 172.5834 50 I 4.0110 8.5172 119.5853 60.0362 37.7521 177.7258 51 R 4.2069 9.0154 125.4589 55.3380 29.4340 179.7416 52 G 3.6393 8.6317 110.6833 46.4197 0.0000 173.2225 53 P 4.2988 0.0000 0.0000 65.0739 32.2808 176.7927 54 F 4.2190 7.6616 118.0608 58.2595 38.2031 176.3721 55 K 4.0954 8.2799 125.1347 57.1498 33.8664 176.4711 56 H 4.8935 8.1844 126.4554 56.2284 29.6925 175.6225 57 K 4.1742 7.5659 117.6020 57.9219 32.9747 176.3953 58 D 4.5140 10.1405 118.8048 55.2465 44.5410 174.9319 59 S 3.6977 8.5018 110.2248 60.2320 62.5171 172.5889 60 R 4.3034 7.4313 126.7417 57.3386 30.4628 176.8411 61 E 4.4789 8.4222 122.7747 56.8634 32.9660 175.0661 62 H 4.9516 8.7929 122.8203 54.0707 31.3654 173.7108 63 F 5.3701 8.2284 118.6257 55.9805 42.5097 173.7999 64 E 4.3722 8.3181 115.5014 55.4744 32.5466 175.5021 65 L 4.3233 7.9540 122.0588 53.6236 43.1303 173.4862 66 R 4.3886 8.0295 119.5345 55.5775 30.2434 175.5487 67 T 4.5284 8.3959 120.5617 63.1626 69.3933 174.4857 68 H 5.0892 9.3454 124.9237 55.7559 30.6091 174.4874 69 N 5.2941 8.4741 115.8853 52.0854 43.4708 173.9918 70 R 4.6056 9.0608 123.2748 55.3334 33.6120 173.2784 71 L 5.1652 9.6336 130.2908 53.7965 44.5653 175.2429 72 V 4.8324 8.4256 123.1381 61.6274 35.6876 173.1613 73 D 5.7080 8.6493 124.9439 52.5793 45.1512 174.5679 74 I 4.6648 8.1368 112.3353 59.9567 40.4670 174.8701 75 I 3.9890 9.0163 121.8923 61.6468 37.2245 175.6700 76 N 4.5721 7.9294 134.1565 50.3536 38.3329 173.5676 77 P 4.5497 0.0000 0.0000 62.4010 30.1375 176.7667 78 N 4.8236 8.1803 130.6188 53.4627 39.0313 176.6016 79 R 4.0599 8.3934 112.7663 57.7777 30.8980 178.0706 80 K 4.1169 8.0454 118.5528 58.9430 32.4907 178.3212 81 T 4.1411 7.7565 109.9858 64.5238 68.9527 176.6554 82 I 3.6665 7.2125 123.5360 63.4549 37.2715 177.5870 83 E 3.9948 7.7597 118.4851 58.4726 29.6655 177.8368 84 Q 4.1908 7.9539 118.2801 58.8751 29.1807 175.4471 85 L 4.5601 7.3625 116.4243 55.5252 44.9057 179.7001 86 M 3.5056 7.5400 120.2459 58.3344 33.3054 178.2063 87 T 4.3793 7.6908 105.2128 61.4764 70.8230 174.4607 88 L 4.3513 7.7363 127.3072 53.8780 40.6147 175.5977 89 D 4.8071 7.4787 119.7310 54.2920 42.3955 177.6490 90 L 4.5538 7.8778 120.9806 52.9465 42.8321 174.0373 91 P 4.4558 0.0000 0.0000 62.6757 32.2545 175.7011 92 T 4.0463 8.6737 118.4761 64.4600 67.5758 175.8872 93 G 4.1296 7.6805 103.8508 45.6052 0.0000 172.2630 94 V 4.0568 7.5902 119.3082 61.9180 33.1901 174.5882 95 E 4.8371 8.9264 126.5015 54.2043 32.2078 174.5657 96 I 4.8863 8.3025 119.0498 59.2055 40.6004 174.6060 97 E 4.7469 8.7916 123.0222 54.9427 33.8068 174.4089 98 I 5.2703 8.2989 123.8705 58.5263 40.9227 174.5912 99 K 4.8869 8.4143 124.4864 55.5523 37.1874 174.4825 100 T 4.4472 8.2498 111.9437 61.8918 71.4800 174.8945 *101 V 3.9074 8.2119 118.1853 61.1219 32.4044 175.4454 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 3 K 8.31 4.36 0.00 1.66 1.94 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.70 7.81 4 I 7.46 4.28 1.87 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 1.11 1.58 0.96 0.00 0.00 5 R 8.56 5.58 0.00 1.85 1.74 0.00 3.07 0.00 0.00 3.31 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.48 0.00 6 I 8.59 4.75 1.86 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 1.46 0.53 0.91 0.00 0.00 7 K 9.13 4.19 0.00 1.67 1.80 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.56 7.81 8 L 8.80 4.78 0.00 1.68 1.61 0.91 0.71 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 9 R 8.28 4.93 0.00 1.74 1.95 0.00 3.33 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.54 0.00 10 G 7.91 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 11 F 8.86 4.81 0.00 3.02 2.96 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 12 D 8.04 4.78 0.00 2.79 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 13 H 9.07 4.59 0.00 3.24 3.39 0.00 5.52 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.31 4.31 0.00 2.08 1.78 0.00 1.90 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.17 1.23 7.81 15 T 7.82 3.89 4.25 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 1.23 0.00 0.00 16 L 7.92 3.87 0.00 1.72 2.04 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.31 4.27 0.00 2.70 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.61 4.00 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 19 S 8.40 4.12 0.00 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 0.00 20 A 7.96 4.13 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 9.18 4.27 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.69 0.00 0.00 0.00 0.00 0.00 2.57 2.35 0.00 22 K 8.50 4.34 0.00 1.81 1.84 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.61 7.81 23 I 7.31 4.08 2.01 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 0.67 0.91 0.00 0.00 24 V 7.63 3.77 2.25 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 0.87 0.00 0.00 1.01 0.00 0.00 25 E 7.68 4.57 0.00 2.02 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 0.00 2.22 2.28 0.00 26 A 7.83 4.58 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 A 8.28 5.18 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 28 R 8.08 4.09 0.00 1.81 2.00 0.00 3.20 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 29 R 7.90 4.26 0.00 1.76 1.93 0.00 3.19 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 30 S 8.38 4.78 0.00 4.10 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 31 G 8.61 4.74 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 32 A 8.44 3.90 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 33 Q 8.35 4.63 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 34 V 8.54 5.28 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 1.16 0.00 0.00 0.93 0.00 0.00 35 S 8.22 4.66 0.00 3.87 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 36 G 8.49 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 37 P 0.00 4.48 0.00 1.94 2.07 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 38 I 9.24 4.23 1.87 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 1.44 0.85 0.97 0.00 0.00 39 P 0.00 5.19 0.00 2.09 2.12 0.00 3.36 0.00 0.00 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.79 0.00 40 L 8.50 4.53 0.00 1.68 1.71 0.93 0.71 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 41 P 0.00 4.10 0.00 2.20 2.15 0.00 3.78 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 2.01 2.05 0.00 42 T 8.39 4.12 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 1.29 0.00 0.00 43 R 8.55 4.56 0.00 1.76 1.84 0.00 3.30 0.00 0.00 3.11 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 44 V 8.13 4.02 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 0.69 0.00 0.00 0.91 0.00 0.00 45 R 7.76 4.80 0.00 1.82 1.91 0.00 3.56 0.00 0.00 3.32 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 46 R 8.04 3.85 0.00 1.59 1.84 0.00 3.22 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 47 F 7.38 4.79 0.00 3.16 3.24 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 48 T 8.64 4.73 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 1.11 0.00 0.00 49 V 7.57 4.36 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 0.54 0.00 0.00 0.92 0.00 0.00 50 I 8.52 4.01 1.86 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 1.33 0.84 0.84 0.00 0.00 51 R 9.02 4.21 0.00 1.83 1.58 0.00 3.22 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 52 G 8.63 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 53 P 0.00 4.30 0.00 2.28 2.25 0.00 3.84 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 2.09 2.00 0.00 54 F 7.66 4.22 0.00 3.00 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 55 K 8.28 4.10 0.00 1.61 1.36 0.00 1.14 0.00 0.00 1.31 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.85 1.19 7.81 56 H 8.18 4.89 0.00 3.17 3.23 0.00 5.66 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.57 4.17 0.00 1.72 1.81 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.42 7.81 58 D 10.14 4.51 0.00 2.60 2.54 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 0.00 0.00 0.00 0.00 59 S 8.50 3.70 0.00 4.03 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 60 R 7.43 4.30 0.00 1.73 1.95 0.00 3.16 0.00 0.00 3.19 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 61 E 8.42 4.48 0.00 1.97 1.61 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 1.80 2.17 0.00 62 H 8.79 4.95 0.00 3.03 3.14 0.00 5.55 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 63 F 8.23 5.37 0.00 2.76 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 64 E 8.32 4.37 0.00 1.77 1.72 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 2.11 2.19 0.00 65 L 7.95 4.32 0.00 1.60 1.43 0.25 1.02 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 66 R 8.03 4.39 0.00 1.59 1.77 0.00 3.35 0.00 0.00 3.18 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 67 T 8.40 4.53 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 1.26 0.00 0.00 68 H 9.35 5.09 0.00 3.39 3.22 0.00 5.61 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.47 5.29 0.00 2.81 2.65 0.00 0.00 6.21 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 70 R 9.06 4.61 0.00 1.84 1.81 0.00 3.07 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 71 L 9.63 5.17 0.00 1.69 1.59 1.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.43 4.83 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 1.00 0.00 0.00 0.93 0.00 0.00 73 D 8.65 5.71 0.00 2.53 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 4.66 1.87 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 1.43 0.82 0.91 0.00 0.00 75 I 9.02 3.99 1.87 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 1.31 0.59 0.95 0.00 0.00 76 N 7.93 4.57 0.00 2.68 2.80 0.00 0.00 6.97 7.69 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 77 P 0.00 4.55 0.00 2.21 2.08 0.00 3.79 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 78 N 8.18 4.82 0.00 2.82 2.95 0.00 0.00 6.80 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 79 R 8.39 4.06 0.00 1.83 2.00 0.00 3.29 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 80 K 8.05 4.12 0.00 1.73 1.94 0.00 1.78 0.00 0.00 1.94 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.44 7.81 81 T 7.76 4.14 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 1.28 0.00 0.00 82 I 7.21 3.67 1.87 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 1.61 1.08 0.91 0.00 0.00 83 E 7.76 3.99 0.00 2.13 1.92 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 2.26 2.30 0.00 84 Q 7.95 4.19 0.00 2.30 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 85 L 7.36 4.56 0.00 1.76 1.50 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 86 M 7.54 3.51 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 87 T 7.69 4.38 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 1.21 0.00 0.00 88 L 7.74 4.35 0.00 1.69 1.71 0.92 1.45 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 89 D 7.48 4.81 0.00 2.70 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 90 L 7.88 4.55 0.00 1.56 1.60 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.46 0.00 2.31 2.04 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 92 T 8.67 4.05 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 1.22 0.00 0.00 93 G 7.68 4.13 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 0.00 0.00 0.00 94 V 7.59 4.06 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 0.83 0.00 0.00 0.94 0.00 0.00 95 E 8.93 4.84 0.00 1.99 1.66 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 2.12 2.21 0.00 96 I 8.30 4.89 1.86 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 1.33 1.11 0.90 0.00 0.00 97 E 8.79 4.75 0.00 2.00 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 2.20 2.40 0.00 98 I 8.30 5.27 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 1.35 1.68 0.91 0.00 0.00 99 K 8.41 4.89 0.00 1.61 1.66 0.00 1.72 0.00 0.00 1.86 0.00 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.35 7.81 100 T 8.25 4.45 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 1.22 0.00 0.00 *101 V 8.21 3.91 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 0.68 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.