NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *2 H 4.5892 8.5445 117.3765 54.8405 30.6485 174.6850 3 M 2.8538 7.9879 114.3147 53.6063 27.6652 177.0407 4 S 4.4671 7.7946 117.1260 58.3949 66.6264 173.3479 5 D 4.3090 8.5358 120.1765 57.4492 40.8365 178.0404 6 L 3.9984 7.8049 119.1304 57.5743 41.7097 179.4501 7 V 3.6254 7.7435 118.1524 66.3493 31.5674 177.9630 8 T 3.6881 7.8241 115.4872 66.6871 68.0299 176.4198 9 K 4.1720 7.8654 120.1532 58.8145 32.4032 178.7166 10 F 4.3712 8.3366 120.6518 61.5619 39.3410 177.0362 11 E 3.6209 8.3249 118.3507 59.1580 29.3597 179.4161 12 S 2.7900 7.7633 113.8859 60.2491 62.6192 176.0454 13 L 4.5702 7.2118 123.6547 56.0095 40.9559 178.8631 14 I 3.6568 7.0081 120.1686 63.7097 37.1429 176.9848 15 I 4.3320 7.0166 116.1197 60.3521 39.3095 174.7067 16 S 4.5185 6.7714 112.9377 57.5962 65.7028 175.5740 17 K 3.9217 8.2848 119.1193 58.0576 32.7463 176.3893 18 Y 4.6758 7.7734 119.0041 55.4314 37.9512 173.6977 19 P 4.3994 0.0000 0.0000 62.5874 31.8080 176.1644 20 V 4.4759 8.5500 120.2571 61.2606 34.5739 175.1230 21 S 4.5702 8.5238 122.1670 57.2419 64.0452 174.0554 22 F 4.6819 8.5833 121.1051 58.0036 39.3498 176.3499 23 T 4.3636 8.4758 117.4824 61.7794 70.8911 176.4584 24 K 4.1434 8.6559 127.8985 60.4959 31.6212 178.9047 25 E 4.1872 8.0620 118.4270 61.1505 29.6799 181.7679 26 Q 3.8779 7.8000 119.0202 58.7368 28.6081 179.2007 27 S 4.4179 8.1445 114.9723 61.2375 63.0040 176.4994 28 A 3.9569 7.8338 124.2327 55.0986 18.1660 179.5590 29 Q 3.8904 8.0484 116.3718 59.0603 28.8412 178.9050 30 A 4.1980 8.3847 121.8431 55.3562 18.4932 179.5871 31 A 4.1031 8.5734 121.9598 55.8050 18.4960 180.5295 32 Q 3.8305 8.1801 119.2344 60.3200 28.2280 181.3485 33 W 4.4037 8.1417 121.3451 59.3787 29.0506 178.3085 34 E 4.0511 8.5126 119.5429 59.2203 29.0424 178.8280 35 S 4.0871 8.1778 113.3276 61.1944 62.4740 176.1566 36 V 3.5913 7.5187 122.0023 65.3677 31.1991 177.7754 37 L 4.0547 8.0865 118.4303 58.0997 41.3590 179.6657 38 K 3.9370 8.4255 117.3118 59.3728 31.9625 178.7328 39 S 4.4744 8.2838 112.7951 57.8139 63.4364 174.3469 40 G 3.7533 8.2241 110.6834 47.6082 0.0000 173.9791 41 Q 4.7580 8.0134 114.7153 55.2680 30.0527 177.8264 42 I 4.0059 8.0140 121.8108 64.5535 37.6919 178.3472 43 Q 3.9807 8.3904 121.3697 58.6884 28.8431 176.2184 44 P 4.5151 0.0000 0.0000 64.5955 31.6669 176.6603 45 H 4.8646 8.2341 116.3574 55.8300 28.8958 176.1939 46 L 4.0830 7.8165 124.0270 58.0898 41.4417 179.1173 47 D 4.4688 8.2285 118.3999 57.4301 40.7467 178.4419 48 Q 4.0401 8.1696 119.6596 59.0602 29.1511 177.9024 49 L 3.9710 8.3572 121.6172 58.0478 41.8901 178.3126 50 N 4.3118 8.2577 116.2169 56.7623 39.1976 176.2388 51 L 4.0886 7.9925 121.6287 58.0423 42.2862 178.9215 52 V 3.5912 8.0280 118.3772 66.1262 31.3145 177.6786 53 L 4.3924 7.6256 117.1349 55.5287 41.5876 178.8383 54 R 3.6404 7.4130 118.6365 58.8842 30.1815 176.6809 55 D 4.7470 7.8243 114.4050 54.0158 42.2615 175.8923 56 N 4.9953 7.7894 116.9161 51.3222 41.9473 175.5089 57 T 3.4937 8.5827 119.5661 66.0406 68.6885 174.3881 58 F 5.0809 7.2860 117.8069 55.0131 42.2081 176.2058 59 I 3.4350 8.9435 122.4114 63.7148 37.6838 177.1352 60 V 4.1924 7.6482 110.6637 60.8660 31.7868 175.4689 61 S 3.7312 7.6658 113.7672 60.3033 59.8484 170.3918 62 T 4.5793 7.6441 108.1287 59.8966 71.2954 173.9198 63 L 4.6126 8.4583 119.9358 55.1856 42.0224 176.2873 64 Y 4.7371 6.9874 115.8469 54.2366 40.8941 172.8960 65 P 3.5295 0.0000 0.0000 62.5590 32.2147 176.2084 66 T 4.8111 8.8254 111.9009 59.7072 72.6491 175.6039 67 S 4.2949 9.1849 116.1528 61.6833 62.7847 176.7510 68 T 3.9595 8.0427 119.2233 66.7018 68.1796 175.8772 69 D 4.7160 8.0836 120.3055 57.4928 40.8335 179.1775 70 V 3.6353 7.8340 118.5481 66.4225 31.1291 177.7810 71 H 4.1679 8.7877 116.3788 58.9453 28.5802 178.0026 72 V 3.7436 8.0868 120.0497 65.9376 31.2680 177.7602 73 F 4.2908 8.8575 120.7242 61.4480 38.9818 176.5753 74 E 3.6889 8.3270 117.8139 59.1226 29.3402 178.5407 75 V 3.8186 7.5421 116.6014 65.4176 31.7972 177.9357 76 A 3.8958 8.5086 121.0281 54.6910 18.1472 179.1490 77 L 3.7069 7.8136 119.5630 57.9172 42.2105 177.6595 78 P 4.1970 0.0000 0.0000 65.6287 31.1740 178.3689 79 L 3.9374 7.4144 118.5367 57.8102 41.4904 179.4887 80 I 3.6102 8.0958 120.1792 64.0532 36.9113 178.5065 81 K 3.9074 8.3229 119.8364 59.7442 31.9511 178.8703 82 D 4.3058 8.0212 117.7595 57.0543 40.8596 178.2344 83 L 3.9928 7.6367 119.0074 57.6825 42.0030 179.2901 84 V 3.7075 8.1224 118.1732 66.0971 31.3139 177.9766 85 A 4.0862 8.0566 119.4849 54.3340 18.2584 178.6991 86 S 4.5528 7.7168 109.8126 57.2871 63.9346 174.4846 87 S 4.2093 7.2746 117.3667 58.5951 62.5442 174.4656 88 K 4.0467 8.5681 125.6847 58.1911 32.5310 177.2161 89 D 4.2005 8.0809 114.8159 52.4206 43.9772 175.8953 90 V 3.3350 7.9886 128.2637 65.5130 31.5532 177.4818 91 K 3.8737 7.8371 119.3283 59.5465 32.1319 178.7893 92 S 4.2034 8.1462 115.7837 61.0461 62.6898 176.6717 93 T 3.9173 7.6543 119.0863 66.7164 68.0007 176.0948 94 Y 4.5531 7.9056 118.0617 61.6111 37.7128 178.8393 95 T 4.0744 8.3123 110.4127 64.7916 68.6802 176.6473 96 T 3.9454 7.5629 117.3318 64.9934 68.7815 174.4253 97 Y 4.9936 7.5781 119.0187 56.9475 39.4424 178.0148 98 R 3.9226 8.3591 121.0359 59.8983 30.1653 177.9106 99 H 4.4186 7.8570 115.0245 58.5272 29.0849 177.3616 100 I 3.8625 7.9672 121.1929 64.8076 36.8619 178.2193 101 L 4.1950 8.2895 119.6745 57.6546 41.4585 179.4274 102 R 3.9287 8.0713 118.6692 59.3663 29.9765 178.4636 103 W 4.2915 8.5707 128.1012 60.3544 30.6316 178.0758 104 I 3.6784 8.7227 120.3233 64.4307 36.2648 177.6903 105 D 4.3020 8.4232 119.0970 57.5566 40.8936 177.5208 106 Y 3.8565 7.9159 119.6865 61.2636 38.8464 178.2927 107 M 3.6718 8.1127 119.9799 57.8570 31.8316 178.6595 108 Q 4.0060 7.9682 117.7933 58.6482 28.8506 178.0309 109 N 4.2851 7.6004 118.4264 55.5044 38.4607 176.9421 110 L 3.6634 7.5293 121.7277 57.8598 42.0851 177.7296 111 L 4.2314 7.6331 114.6103 53.8867 42.4229 176.1009 112 E 3.7000 7.5091 118.0626 57.0902 27.3645 175.4548 113 V 3.7412 7.6710 117.2594 62.5147 32.9041 175.7698 114 S 4.2754 8.8181 120.6708 58.6522 63.1810 175.3767 115 S 3.8584 8.0691 115.9388 62.0217 63.5097 176.0586 116 T 4.0407 7.7013 112.7343 63.1730 69.0208 175.1888 117 D 4.5332 7.7899 120.8713 55.8123 41.3870 177.2978 118 K 4.2252 7.6776 118.0297 56.0997 32.5536 176.0720 119 L 4.2240 8.7483 124.3475 54.2555 42.4316 176.1914 120 E 4.3841 8.7739 126.6704 55.1276 29.6070 175.3701 121 I 4.2962 8.2079 120.3609 59.7367 39.5300 176.1584 122 N 4.4957 8.1631 119.8735 52.7217 38.3343 171.7252 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 H 8.54 4.59 0.00 2.95 3.05 0.00 7.24 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 M 7.99 2.85 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.16 0.00 4 S 7.79 4.47 0.00 4.03 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 5 D 8.54 4.31 0.00 2.76 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 6 L 7.80 4.00 0.00 1.72 1.68 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.74 3.63 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 1.07 0.00 0.00 0.92 0.00 0.00 8 T 7.82 3.69 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 0.84 0.00 0.00 9 K 7.87 4.17 0.00 1.98 1.92 0.00 1.89 0.00 0.00 1.50 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.47 7.81 10 F 8.34 4.37 0.00 3.05 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 11 E 8.32 3.62 0.00 2.22 2.10 0.00 0.00 0.00 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 2.56 0.00 12 S 7.76 2.79 0.00 3.78 4.03 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 0.00 0.00 0.00 0.00 13 L 7.21 4.57 0.00 1.53 1.57 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.01 3.66 1.65 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 0.30 0.88 0.00 0.00 15 I 7.02 4.33 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.78 0.99 0.00 0.00 16 S 6.77 4.52 0.00 4.05 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 17 K 8.28 3.92 0.00 1.59 1.73 0.00 1.12 0.00 0.00 1.45 0.00 0.00 2.66 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.84 0.21 7.81 18 Y 7.77 4.68 0.00 2.99 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.40 0.00 2.21 2.07 0.00 3.85 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.99 0.00 20 V 8.55 4.48 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 1.09 0.00 0.00 1.07 0.00 0.00 21 S 8.52 4.57 0.00 3.99 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 22 F 8.58 4.68 0.00 2.96 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 23 T 8.48 4.36 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 1.25 0.00 0.00 24 K 8.66 4.14 0.00 1.78 1.86 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.07 7.81 25 E 8.06 4.19 0.00 1.97 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 2.31 1.97 0.00 26 Q 7.80 3.88 0.00 1.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.17 0.00 27 S 8.14 4.42 0.00 4.20 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 0.00 28 A 7.83 3.96 1.37 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 29 Q 8.05 3.89 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 30 A 8.38 4.20 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.57 4.10 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.18 3.83 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 33 W 8.14 4.40 0.00 3.47 3.30 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 34 E 8.51 4.05 0.00 2.13 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 2.36 0.00 35 S 8.18 4.09 0.00 3.92 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.52 3.59 2.34 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 1.28 0.00 0.00 0.48 0.00 0.00 37 L 8.09 4.05 0.00 2.02 1.80 1.08 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.43 3.94 0.00 1.87 1.91 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.74 1.64 7.81 39 S 8.28 4.47 0.00 4.08 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 40 G 8.22 3.75 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 0.00 0.00 0.00 41 Q 8.01 4.76 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.39 6.92 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 42 I 8.01 4.01 1.95 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.25 0.99 0.00 0.00 43 Q 8.39 3.98 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.97 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 44 P 0.00 4.52 0.00 2.18 2.17 0.00 3.80 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 2.22 2.02 0.00 45 H 8.23 4.86 0.00 3.57 3.59 0.00 5.82 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.82 4.08 0.00 1.83 1.82 0.82 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.23 4.47 0.00 2.74 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 48 Q 8.17 4.04 0.00 2.18 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.91 0.00 0.00 0.00 0.00 0.00 2.59 2.47 0.00 49 L 8.36 3.97 0.00 1.90 1.84 -0.14 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.26 4.31 0.00 3.03 3.11 0.00 0.00 7.22 8.64 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 51 L 7.99 4.09 0.00 1.84 1.86 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.03 3.59 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 1.17 0.00 0.00 53 L 7.63 4.39 0.00 1.57 1.60 0.08 0.09 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 54 R 7.41 3.64 0.00 1.66 1.95 0.00 3.18 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.27 0.00 55 D 7.82 4.75 0.00 2.64 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 56 N 7.79 5.00 0.00 2.76 2.71 0.00 0.00 6.88 6.72 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 57 T 8.58 3.49 3.77 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 -0.15 0.00 0.00 58 F 7.29 5.08 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 59 I 8.94 3.43 1.56 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.02 0.92 0.00 0.00 60 V 7.65 4.19 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 0.90 0.00 0.00 0.82 0.00 0.00 61 S 7.67 3.73 0.00 3.93 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 62 T 7.64 4.58 3.60 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 1.14 0.00 0.00 63 L 8.46 4.61 0.00 1.90 1.92 1.02 0.82 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 64 Y 6.99 4.74 0.00 2.87 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 65 P 0.00 3.53 0.00 2.02 1.63 0.00 3.61 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.00 0.00 66 T 8.83 4.81 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 1.02 0.00 0.00 67 S 9.18 4.29 0.00 4.19 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 68 T 8.04 3.96 4.35 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 1.33 0.00 0.00 69 D 8.08 4.72 0.00 2.98 2.98 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 0.00 0.00 0.00 70 V 7.83 3.64 2.29 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 1.15 0.00 0.00 0.99 0.00 0.00 71 H 8.79 4.17 0.00 3.26 3.44 0.00 5.68 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.09 3.74 2.27 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 0.77 0.00 0.00 0.92 0.00 0.00 73 F 8.86 4.29 0.00 2.68 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 74 E 8.33 3.69 0.00 2.16 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 2.29 2.28 0.00 75 V 7.54 3.82 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 0.99 0.00 0.00 0.97 0.00 0.00 76 A 8.51 3.90 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 7.81 3.71 0.00 0.79 1.13 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.20 0.00 2.25 2.23 0.00 3.57 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.96 0.00 79 L 7.41 3.94 0.00 1.91 1.69 0.93 0.79 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 80 I 8.10 3.61 1.85 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.96 0.92 0.00 0.00 81 K 8.32 3.91 0.00 1.99 1.86 0.00 1.81 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.45 7.81 82 D 8.02 4.31 0.00 2.81 2.78 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 0.00 0.00 0.00 0.00 83 L 7.64 3.99 0.00 1.79 1.76 0.66 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.12 3.71 2.29 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 1.10 0.00 0.00 1.14 0.00 0.00 85 A 8.06 4.09 1.36 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 86 S 7.72 4.55 0.00 4.04 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 87 S 7.27 4.21 0.00 4.04 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 88 K 8.57 4.05 0.00 1.77 1.84 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.36 7.81 89 D 8.08 4.20 0.00 2.60 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.99 3.34 1.85 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 0.20 0.00 0.00 0.81 0.00 0.00 91 K 7.84 3.87 0.00 1.85 1.92 0.00 1.80 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.57 7.81 92 S 8.15 4.20 0.00 4.08 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 0.00 93 T 7.65 3.92 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 1.43 0.00 0.00 94 Y 7.91 4.55 0.00 3.07 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 95 T 8.31 4.07 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 1.32 0.00 0.00 96 T 7.56 3.95 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 0.50 0.00 0.00 97 Y 7.58 4.99 0.00 3.11 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 98 R 8.36 3.92 0.00 1.67 1.77 0.00 3.10 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.95 0.00 99 H 7.86 4.42 0.00 3.34 3.41 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 7.97 3.86 2.18 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.64 1.11 0.00 0.00 101 L 8.29 4.19 0.00 1.91 1.73 0.99 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.07 3.93 0.00 1.97 2.22 0.00 3.08 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 103 W 8.57 4.29 0.00 3.39 3.46 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 0.00 104 I 8.72 3.68 2.15 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.00 1.04 0.00 0.00 105 D 8.42 4.30 0.00 2.95 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 0.00 106 Y 7.92 3.86 0.00 3.16 3.05 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 0.00 107 M 8.11 3.67 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.92 0.00 108 Q 7.97 4.01 0.00 2.37 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.68 2.37 0.00 109 N 7.60 4.29 0.00 2.72 2.72 0.00 0.00 6.46 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.53 3.66 0.00 1.19 1.59 0.83 0.99 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 0.00 111 L 7.63 4.23 0.00 1.65 1.64 0.77 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 112 E 7.51 3.70 0.00 1.97 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 2.20 2.15 0.00 113 V 7.67 3.74 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 0.83 0.00 0.00 1.09 0.00 0.00 114 S 8.82 4.28 0.00 4.04 3.98 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 0.00 0.00 0.00 115 S 8.07 3.86 0.00 4.01 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 0.00 116 T 7.70 4.04 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 0.00 117 D 7.79 4.53 0.00 2.73 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 0.00 118 K 7.68 4.23 0.00 1.95 1.76 0.00 1.69 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.65 1.66 7.81 119 L 8.75 4.22 0.00 1.60 1.61 0.99 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.77 4.38 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 121 I 8.21 4.30 1.72 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 0.57 0.61 0.00 0.00 122 N 8.16 4.50 0.00 2.71 2.54 0.00 0.00 6.66 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.