NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 Y 4.8366 8.1449 118.9831 57.1236 39.9115 173.6874 22 Y 4.9080 9.0206 116.7311 54.5307 42.1002 174.2087 23 T 4.5689 10.1413 115.0176 61.4040 70.7441 175.2699 24 I 3.9731 8.9588 123.7608 64.9347 37.0074 178.9109 25 G 3.6401 8.1158 105.8836 47.9074 0.0000 175.7425 26 Q 4.0575 7.8369 119.4284 58.6420 28.8255 178.5249 27 V 3.5141 7.8540 118.4306 65.6947 31.6411 177.6039 28 A 4.1991 7.9211 120.5910 54.9695 18.2152 180.3204 29 K 4.2039 7.6518 113.4541 57.2843 31.6116 178.4187 *31 Q 3.9888 7.8024 115.9178 54.8168 30.3088 174.7991 32 H 4.1647 7.7823 113.5811 57.2052 26.9597 174.4370 33 L 4.9946 8.4566 117.5259 53.0322 44.7200 177.5413 34 T 4.4061 8.6850 111.8154 60.9047 71.3208 175.8008 35 I 3.7414 8.2953 122.0817 64.5033 38.0538 178.3545 36 S 4.2323 8.0504 114.5793 61.3167 62.8373 176.3464 37 Q 3.9105 8.0518 121.7549 59.0106 28.5512 178.8623 38 I 4.2689 7.8053 120.4172 64.5673 37.1121 178.7670 39 R 4.1780 8.0161 118.8268 59.0157 29.7352 178.4490 40 Y 4.1268 7.8783 119.6062 61.0450 38.8317 177.7083 41 Y 3.8968 7.4978 117.6675 60.7645 37.7517 178.2679 42 D 4.1153 8.0383 118.9749 57.3756 41.2475 178.4486 43 K 3.9430 8.1383 117.9267 59.4231 32.1316 178.7183 44 Q 4.0134 7.8836 115.6153 55.4944 29.1264 175.9301 45 G 3.6833 7.8525 108.2934 46.7915 0.0000 174.4782 46 L 4.2617 7.3798 116.6754 54.4051 43.2997 177.4568 47 F 3.8456 6.9029 117.2935 55.7838 38.9729 174.7582 48 P 4.1920 0.0000 0.0000 64.3566 31.8342 177.8206 49 F 4.6759 6.4966 111.9849 56.5258 38.2547 175.5492 50 L 4.0102 7.0282 122.4574 55.3212 42.1747 177.2895 51 Q 4.4802 8.2328 122.7714 54.9843 31.5842 174.4196 52 R 5.7103 8.5304 117.4338 53.9750 33.7320 175.7518 53 N 4.4357 8.1488 119.5584 50.7498 39.5882 175.3564 54 E 3.9570 8.5199 116.9284 59.4631 29.5863 179.1423 55 K 4.0225 7.9716 117.2923 59.2874 32.3659 177.3816 56 G 3.9424 7.7719 103.8777 45.3224 0.0000 173.7474 57 D 4.5497 9.0441 120.9508 53.8837 41.6175 175.2517 58 R 5.0439 8.2814 120.6091 55.1980 31.1306 175.8244 59 I 4.8276 8.3932 116.7020 59.1661 42.0795 173.8890 60 F 4.9184 9.7105 121.4948 56.0405 40.9920 176.1573 61 N 5.1721 8.7404 121.7730 51.4710 39.8645 175.3311 62 E 4.0268 9.0442 118.0494 59.7690 29.4361 178.2926 63 E 3.8821 8.3008 118.5334 59.0040 29.7958 178.3838 64 A 4.0636 9.0642 121.4413 55.1621 18.3801 179.6488 65 L 4.0896 8.1697 117.4299 57.8066 41.4573 179.7572 66 K 3.9013 7.6268 117.5010 59.7755 32.0492 178.6653 67 Y 4.3565 7.5386 115.8506 60.9282 37.8740 178.0100 68 L 4.4867 8.2265 121.4378 58.0896 42.1078 179.4043 69 E 4.1500 8.3170 115.6976 57.0141 29.1268 178.8921 *71 I 4.1196 7.6839 121.3465 61.5303 39.3500 178.1591 72 L 3.9254 8.1830 120.4470 57.7134 41.0742 179.1416 73 C 4.0623 8.0277 117.8961 62.6204 31.5205 175.4325 74 L 4.1600 7.7068 121.3720 57.0172 41.3261 179.2899 75 K 4.0395 8.2726 119.8283 59.4247 32.0328 178.2069 76 N 4.7367 8.6334 114.9856 54.6179 38.3211 175.6309 77 T 4.3114 7.5290 110.3705 60.7640 69.1664 170.8905 78 G 3.7971 7.7506 116.3817 45.7843 0.0000 172.4245 *80 P 4.2227 0.0000 0.0000 61.8670 33.9436 177.6078 81 I 3.7580 8.2891 121.9998 64.6701 37.0679 178.7752 82 Q 3.9734 7.9886 117.9815 59.2323 28.4237 178.6423 83 K 3.9505 7.9372 119.8925 59.0204 32.2243 179.2680 84 I 3.7649 7.7122 120.1984 64.1991 37.0007 178.3777 85 K 3.9166 8.0812 120.6132 59.4115 32.0127 178.7003 86 Q 3.6047 7.7972 119.9824 58.7517 28.8027 178.0533 87 F 4.3183 8.1750 121.9433 61.2398 39.2298 177.2999 88 I 3.4531 7.5491 118.3765 64.4083 37.0117 177.7908 89 D 4.4371 8.0941 118.7908 57.1840 40.6864 178.6531 90 W 4.7520 7.8071 118.3204 59.7447 29.0692 179.8512 91 S 4.2001 7.9046 113.6904 58.8263 62.0718 175.9861 *93 E 4.2070 8.2813 122.0881 55.3554 31.4093 175.9955 94 G 3.8671 7.6036 103.6045 44.1854 0.0000 173.9870 95 D 4.4164 8.3633 114.8540 54.4610 38.7617 177.1349 96 S 4.3694 7.9425 114.3538 59.7846 63.5967 174.7110 97 T 4.0375 7.4587 110.5896 61.0562 69.2132 175.2258 98 I 3.6024 7.8476 124.1467 64.9565 37.6766 177.6912 99 L 3.9585 7.7916 119.0367 57.8073 41.4178 178.9848 100 H 3.7600 7.9287 115.6759 58.8547 28.3674 177.8271 101 R 4.2321 7.7826 118.6519 59.2825 29.9965 178.5656 102 L 4.1409 7.9531 119.2780 57.9705 42.3742 178.6518 103 K 4.1384 8.2131 119.6017 59.3360 32.1447 179.1567 104 L 4.1535 8.0520 117.4415 56.1477 42.0105 178.4432 *106 K 4.2849 8.0038 118.6447 56.1832 34.2526 178.2832 107 Q 4.0064 8.3157 117.8119 58.9345 28.4803 178.4531 108 Q 3.9572 8.2332 120.6565 58.9754 29.0018 177.7902 109 E 3.8903 8.2126 119.6426 59.3189 29.6887 178.3769 110 A 3.9960 7.9450 120.6045 55.4447 18.3526 179.3502 111 N 4.2827 8.4700 115.2615 56.5319 38.5559 177.9038 112 V 3.5887 8.5340 120.1908 65.7548 31.5701 178.0538 113 L 3.9627 8.3219 119.3515 57.8496 41.5004 179.2653 114 Q 3.9521 8.0915 119.4807 58.9794 28.9279 177.9017 115 L 3.9526 8.1049 121.6131 58.2902 42.0613 179.1116 116 I 3.6851 7.9463 119.7255 64.3906 37.0412 178.2137 117 Q 3.9596 8.0776 120.3878 59.3748 28.9037 178.0088 118 D 4.3746 8.6487 120.2391 57.7327 40.7504 179.0062 119 T 3.9626 8.1028 116.4165 66.4988 68.4410 176.7783 120 E 3.9797 8.6252 121.1118 59.2262 29.3266 179.2877 121 K 3.9560 8.2338 119.7502 59.5845 32.2685 178.6959 122 N 4.3454 8.1620 116.8860 56.1077 38.4687 177.0433 123 L 3.9535 8.2525 122.2714 58.0848 42.1007 179.0281 124 K 3.9565 8.1083 119.5676 59.3214 32.1050 179.0383 125 K 3.9550 7.7495 118.9253 59.5116 31.9843 179.3909 126 I 3.6791 7.8153 120.0437 64.5232 36.9170 178.5715 127 Q 3.9785 8.1833 118.8855 58.8932 28.4361 178.5347 128 Q 3.8766 8.1867 120.6949 59.0276 28.9906 178.2433 129 K 3.5795 7.9151 120.6803 59.2105 32.2335 178.9265 130 I 3.6505 7.5499 119.9512 64.2365 36.8423 178.0689 131 A 3.9810 7.8768 120.4554 55.0281 18.2563 179.1996 132 K 3.9636 7.8368 116.8085 60.1389 32.5343 178.3733 133 Y 4.6464 8.0120 116.9320 60.7805 37.5309 177.0650 134 E 4.6410 7.8365 118.4457 56.7660 30.6694 178.0286 135 D 3.9586 8.8699 118.1578 55.2997 41.3616 177.0992 136 E 4.1324 7.9197 125.6889 56.9445 29.2960 175.9896 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 Y 8.14 4.84 0.00 3.00 3.04 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 22 Y 9.02 4.91 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 23 T 10.14 4.57 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 1.37 0.00 0.00 24 I 8.96 3.97 2.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.09 1.08 0.00 0.00 25 G 8.12 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 26 Q 7.84 4.06 0.00 2.29 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 27 V 7.85 3.51 1.78 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 0.20 0.00 0.00 0.59 0.00 0.00 28 A 7.92 4.20 1.51 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 0.00 0.00 29 K 7.65 4.20 0.00 1.94 1.84 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.77 7.81 *31 Q 7.80 3.99 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.04 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 32 H 7.78 4.16 0.00 3.26 3.32 0.00 5.62 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.46 4.99 0.00 1.61 1.66 1.05 0.14 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 34 T 8.69 4.41 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 1.28 0.00 0.00 35 I 8.30 3.74 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.25 0.94 0.00 0.00 36 S 8.05 4.23 0.00 4.09 4.12 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.05 3.91 0.00 2.40 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 38 I 7.81 4.27 2.06 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 1.77 1.26 1.25 0.00 0.00 39 R 8.02 4.18 0.00 2.06 2.06 0.00 3.19 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.86 0.00 40 Y 7.88 4.13 0.00 2.89 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 41 Y 7.50 3.90 0.00 3.16 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 42 D 8.04 4.12 0.00 3.17 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.14 3.94 0.00 1.79 1.82 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.75 7.81 44 Q 7.88 4.01 0.00 1.82 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.70 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 45 G 7.85 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.38 4.26 0.00 0.94 1.42 0.85 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 47 F 6.90 3.85 0.00 2.75 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 0.00 0.00 0.00 0.00 48 P 0.00 4.19 0.00 1.94 1.99 0.00 3.35 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.89 0.00 49 F 6.50 4.68 0.00 3.15 3.10 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 0.00 0.00 0.00 50 L 7.03 4.01 0.00 1.36 1.42 -0.15 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 51 Q 8.23 4.48 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 52 R 8.53 5.71 0.00 1.56 1.70 0.00 3.35 0.00 0.00 3.93 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.31 0.00 53 N 8.15 4.44 0.00 2.29 2.07 0.00 0.00 6.17 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 54 E 8.52 3.96 0.00 1.96 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 0.00 2.31 2.31 0.00 55 K 7.97 4.02 0.00 2.00 1.85 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.43 7.81 56 G 7.77 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 0.00 0.00 0.00 57 D 9.04 4.55 0.00 2.71 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.28 5.04 0.00 1.64 1.75 0.00 3.11 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 59 I 8.39 4.83 2.30 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.85 0.87 0.00 0.00 60 F 9.71 4.92 0.00 3.16 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 61 N 8.74 5.17 0.00 2.95 3.09 0.00 0.00 5.86 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 62 E 9.04 4.03 0.00 2.15 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 0.00 2.40 2.43 0.00 63 E 8.30 3.88 0.00 2.06 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 2.37 2.10 0.00 64 A 9.06 4.06 1.74 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 65 L 8.17 4.09 0.00 1.94 1.70 0.79 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.63 3.90 0.00 1.61 1.71 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.61 7.81 67 Y 7.54 4.36 0.00 2.53 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 68 L 8.23 4.49 0.00 2.04 1.94 1.13 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.32 4.15 0.00 2.20 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 2.30 2.56 0.00 *71 I 7.68 4.12 2.08 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 1.93 1.11 0.63 0.00 0.00 72 L 8.18 3.93 0.00 1.81 1.72 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 73 C 8.03 4.06 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 74 L 7.71 4.16 0.00 1.79 1.62 0.41 0.72 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 75 K 8.27 4.04 0.00 1.84 2.04 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.58 1.94 7.81 76 N 8.63 4.74 0.00 2.78 2.87 0.00 0.00 6.91 7.53 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 77 T 7.53 4.31 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 1.20 0.00 0.00 78 G 7.75 3.80 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 0.00 0.00 0.00 *80 P 0.00 4.22 0.00 2.20 2.03 0.00 3.62 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.19 0.00 81 I 8.29 3.76 1.88 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.71 0.87 0.00 0.00 82 Q 7.99 3.97 0.00 2.26 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 83 K 7.94 3.95 0.00 1.94 1.88 0.00 1.67 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.51 7.81 84 I 7.71 3.76 2.02 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 1.39 1.09 0.94 0.00 0.00 85 K 8.08 3.92 0.00 1.74 1.85 0.00 1.53 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.32 7.81 86 Q 7.80 3.60 0.00 1.97 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.59 0.00 0.00 0.00 0.00 0.00 1.16 1.32 0.00 87 F 8.18 4.32 0.00 3.21 3.32 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 88 I 7.55 3.45 1.98 0.00 0.00 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 1.66 1.02 0.93 0.00 0.00 89 D 8.09 4.44 0.00 2.36 2.64 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 90 W 7.81 4.75 0.00 3.52 2.99 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 0.00 0.00 0.00 91 S 7.90 4.20 0.00 3.79 3.93 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 0.00 0.00 0.00 *93 E 8.28 4.21 0.00 2.19 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 2.26 2.60 0.00 94 G 7.60 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 0.00 0.00 0.00 95 D 8.36 4.42 0.00 2.79 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 96 S 7.94 4.37 0.00 3.99 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 97 T 7.46 4.04 3.51 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 0.98 0.00 0.00 98 I 7.85 3.60 1.85 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 1.63 1.40 0.89 0.00 0.00 99 L 7.79 3.96 0.00 1.61 1.60 0.87 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 100 H 7.93 3.76 0.00 2.03 1.43 0.00 5.82 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 R 7.78 4.23 0.00 1.84 2.25 0.00 3.20 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.77 0.00 102 L 7.95 4.14 0.00 1.71 1.91 0.94 0.74 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 0.00 103 K 8.21 4.14 0.00 1.95 2.03 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.54 7.81 104 L 8.05 4.15 0.00 2.28 1.86 1.20 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 *106 K 8.00 4.28 0.00 2.06 1.89 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.68 7.81 107 Q 8.32 4.01 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.66 0.00 108 Q 8.23 3.96 0.00 2.25 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 109 E 8.21 3.89 0.00 2.07 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 0.00 2.38 2.39 0.00 110 A 7.94 4.00 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 0.00 111 N 8.47 4.28 0.00 2.89 2.88 0.00 0.00 6.71 7.23 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 0.00 112 V 8.53 3.59 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 1.10 0.00 0.00 0.94 0.00 0.00 113 L 8.32 3.96 0.00 1.88 1.70 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 8.09 3.95 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 115 L 8.10 3.95 0.00 1.87 1.78 0.93 1.33 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 0.00 116 I 7.95 3.69 2.01 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 1.41 0.34 0.91 0.00 0.00 117 Q 8.08 3.96 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 118 D 8.65 4.37 0.00 2.82 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 0.00 119 T 8.10 3.96 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 1.21 0.00 0.00 120 E 8.63 3.98 0.00 2.11 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 2.51 2.46 0.00 121 K 8.23 3.96 0.00 1.82 2.00 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.47 7.81 122 N 8.16 4.35 0.00 2.93 2.84 0.00 0.00 6.64 6.84 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 0.00 123 L 8.25 3.95 0.00 1.81 1.89 0.92 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 124 K 8.11 3.96 0.00 1.87 1.97 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.47 7.81 125 K 7.75 3.95 0.00 1.93 1.81 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.62 7.81 126 I 7.82 3.68 1.98 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 1.52 0.41 0.91 0.00 0.00 127 Q 8.18 3.98 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.66 0.00 128 Q 8.19 3.88 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 129 K 7.92 3.58 0.00 1.73 1.77 0.00 1.02 0.00 0.00 0.99 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.19 0.45 7.81 130 I 7.55 3.65 2.04 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 1.50 0.97 0.93 0.00 0.00 131 A 7.88 3.98 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 0.00 132 K 7.84 3.96 0.00 1.70 1.79 0.00 1.75 0.00 0.00 1.56 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.48 7.81 133 Y 8.01 4.65 0.00 3.14 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 0.00 134 E 7.84 4.64 0.00 2.13 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 2.40 2.74 0.00 135 D 8.87 3.96 0.00 2.69 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 E 7.92 4.13 0.00 2.05 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 0.00 2.27 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.