NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 F 5.0367 8.1300 115.1721 56.4250 39.8473 176.8509 13 V 3.4537 8.0304 122.7710 66.7398 31.2052 174.7542 14 A 4.0111 8.7784 120.2270 55.4250 18.8229 178.5378 15 E 4.1001 8.2182 116.4304 59.6534 29.5715 179.5374 16 L 4.0448 8.2358 119.0080 57.8075 41.6157 179.2563 17 N 4.4383 8.4296 116.4976 56.1330 38.2177 176.5422 18 N 4.5638 7.8368 116.9628 55.2194 39.2444 175.7596 19 L 4.5723 7.9048 119.6976 53.5434 42.1143 175.9097 20 L 4.2764 7.1222 120.1044 56.4143 41.8777 177.8481 21 G 3.9701 9.1834 112.2974 45.0735 0.0000 173.1883 22 R 4.6726 7.9198 118.7548 54.1559 33.3321 174.9327 23 E 4.7619 8.7049 121.7797 56.3775 30.4403 175.9877 24 V 4.7346 9.1068 118.9282 59.8954 37.1042 173.6057 25 Q 5.0176 8.9466 123.1823 54.3703 31.9111 174.2805 26 V 4.7092 9.0663 126.2708 61.1812 34.2163 174.1282 27 V 4.5123 8.5262 128.7977 61.7685 33.0143 174.7722 28 L 5.3203 9.1295 128.3459 53.1368 43.6673 178.0080 29 S 4.3262 9.0870 116.6414 60.4855 63.1621 174.7563 30 N 4.6113 8.1811 117.4467 53.0702 37.4265 175.7450 31 G 4.0153 8.1697 108.4710 45.3468 0.0000 174.0701 32 E 4.3038 8.4093 119.2688 56.2823 31.4998 176.3270 33 V 4.7748 7.9227 120.4384 61.8111 34.9571 173.2725 34 Y 4.8701 8.9726 126.0161 56.0566 40.5604 174.6825 35 K 4.9543 8.7269 125.1730 54.6743 35.4170 175.3532 36 G 4.4186 8.4696 112.9150 45.9304 0.0000 171.8757 37 V 4.3560 7.8537 120.3970 62.2914 32.8027 175.1426 38 L 4.3178 9.1804 131.1163 55.6950 42.1394 176.2711 39 H 4.6705 9.2326 127.1067 57.3771 31.4674 174.6929 40 A 4.6334 7.6214 116.8202 51.0174 22.3662 175.4794 41 V 5.0711 8.6228 120.0626 60.8721 34.9382 173.8827 42 D 5.0495 8.5725 126.0452 51.0119 42.1813 176.4142 43 N 4.2003 8.6804 115.7655 56.5266 38.3835 176.3397 44 Q 3.8746 7.9540 113.8402 55.5029 29.0629 175.4220 45 L 3.7534 7.8651 117.2205 55.8765 39.3519 174.5744 46 N 4.9516 9.2076 115.5499 53.4365 40.2214 174.6355 47 I 4.8947 8.7005 121.0830 59.6153 41.8020 174.5546 48 V 4.6859 8.9428 126.3079 61.2264 33.7633 174.1645 49 L 5.1088 8.8178 128.4764 53.3408 43.9785 175.4505 50 A 4.7390 9.2526 125.3084 50.9269 21.4106 176.5887 51 N 4.2105 8.2750 117.2605 54.1467 36.6973 173.2047 52 A 5.1320 8.0081 122.4098 50.9406 22.5361 177.4232 53 S 5.7275 9.3614 112.5104 57.4336 67.0648 173.3887 54 N 5.0949 8.2602 118.4159 50.0843 39.8376 175.3100 55 K 3.7486 8.4644 116.8815 59.6344 32.0646 178.0817 56 A 4.0862 7.9816 118.6688 52.2663 18.2977 177.9935 57 G 3.8902 8.2339 104.4403 45.6927 0.0000 174.1982 58 E 4.1279 8.1747 119.7415 56.0139 30.6709 176.0582 59 K 5.0176 7.8680 121.0220 54.6652 35.6311 175.5948 60 F 4.8188 9.2974 121.2210 55.7639 43.1601 175.2517 61 N 4.3665 9.1963 121.4998 56.4333 39.7937 174.7331 62 R 4.9073 7.8531 114.7855 54.1747 34.3564 174.8972 63 V 3.9338 8.2453 122.3143 61.0288 34.4505 174.1590 64 F 5.0287 8.6750 127.1940 56.5729 39.9819 175.0516 65 I 4.4435 8.4949 130.2097 60.2939 39.9080 176.0227 *67 Y 4.7664 8.4741 118.8205 58.0757 39.7068 177.3803 68 R 3.7818 7.1327 117.8565 58.3120 30.2711 176.5738 69 Y 4.4093 7.8088 113.7316 57.5657 38.7441 174.6836 70 I 4.2765 7.5834 122.0969 61.2453 37.2011 176.0901 71 V 4.0517 8.9376 128.8040 65.5433 31.9263 175.5047 72 H 4.9905 7.7262 113.4173 54.6921 31.8728 171.7829 73 I 4.9805 8.2467 119.3963 59.6743 39.8439 174.7639 74 D 5.0966 9.4628 126.5187 52.5377 44.1796 175.1637 75 S 4.9288 8.4489 115.6045 57.0057 65.0378 173.6750 76 T 4.3185 8.7753 115.4294 61.6628 69.5963 174.3013 77 E 4.3127 7.4820 121.6080 55.4767 30.8734 175.7128 78 R 4.4250 8.2639 118.4583 54.7953 31.1552 175.7140 79 R 4.5694 8.2422 121.9904 54.0018 32.4032 176.0534 80 I 3.9259 8.3868 124.0632 61.0235 37.7666 174.9823 81 D 4.8834 8.6487 124.6698 52.5107 43.9921 176.3930 *83 R 3.7372 8.2153 117.6806 55.9087 32.0860 177.9671 84 E 3.9893 8.0722 117.4111 58.9621 29.5116 178.5303 85 F 3.3055 8.0412 120.4377 60.7991 39.3134 176.7464 86 A 3.8928 8.0234 119.8897 55.2992 17.9126 179.6340 87 K 3.8794 7.5173 115.2671 59.6918 32.2675 179.3861 88 Q 4.0373 8.0455 118.1303 58.8219 28.6268 178.6110 89 A 3.9304 7.8554 122.2572 54.9502 17.8512 179.2866 90 E 4.1994 8.3210 117.8895 59.1057 29.4341 178.9651 91 K 4.0658 7.5878 117.5383 58.3987 32.1672 178.3810 92 I 3.9112 7.3507 118.5522 61.4736 39.0735 175.9032 93 F 4.9377 8.1958 116.7658 54.6743 39.0492 173.7228 94 P 4.3821 0.0000 0.0000 63.8032 31.9238 176.7652 95 G 3.5670 8.8046 109.7771 46.4386 0.0000 173.9004 *97 V 4.1207 7.4658 116.4302 62.4350 33.0942 174.9311 98 K 4.6244 8.7219 127.9521 54.8684 35.4396 174.1202 99 Y 4.7855 8.8316 128.7970 57.0825 40.1851 174.7172 100 I 4.1360 7.8964 128.2995 59.1803 37.9885 176.2374 101 E 3.7396 8.3696 126.1999 58.7971 29.9118 178.5912 102 E 4.0563 8.1490 118.7099 58.7338 29.5497 177.5102 103 T 4.3955 7.4352 104.5742 60.1915 69.6842 172.8479 104 N 4.1334 7.9196 119.1378 55.4407 37.9242 173.0939 105 V 4.7295 7.2322 107.6887 59.2797 36.9141 175.1570 106 V 4.8637 9.0095 121.1168 61.3386 34.3092 174.0718 107 L 4.8979 8.8646 128.3920 53.6576 43.1398 175.6084 108 I 4.2148 8.5467 125.0130 60.2461 39.4550 176.5580 109 G 4.2088 8.4190 118.5630 45.4762 0.0000 171.5211 110 D 4.5498 8.5998 116.5806 54.8682 41.7400 178.0106 111 K 4.4811 7.9472 115.2332 55.9718 33.6468 175.4164 112 V 4.5712 7.4623 119.4187 60.8532 34.3122 174.1196 113 R 4.8754 8.7056 127.5280 54.4278 33.2592 173.8954 114 V 4.5508 9.0959 126.6859 61.1398 34.4040 174.6555 115 S 4.9143 8.0233 122.5290 56.0852 65.8807 174.4939 116 E 4.2260 8.8873 119.3908 59.2209 29.5032 178.0247 117 I 3.8986 7.6948 119.4025 63.0057 37.7478 176.5175 118 G 2.8241 6.2278 105.8661 43.9088 0.0000 171.4054 119 V 3.9500 7.4102 120.2989 61.5390 32.6726 175.5872 120 E 4.4568 10.1550 127.8626 53.1444 31.3170 175.3515 121 G 4.5201 7.5923 112.4644 43.7112 0.0000 171.7213 122 V 4.3730 7.6505 112.7443 59.9171 35.5080 176.2594 123 G 3.8882 8.5217 107.3940 44.2038 0.0000 172.1527 124 P 4.2497 0.0000 0.0000 65.5991 31.1283 179.0182 125 V 3.7031 7.7946 116.2123 66.1045 31.5232 177.7754 126 A 4.0516 7.9752 120.0322 54.9584 18.2135 178.9707 127 E 3.8920 8.4376 117.9796 59.6573 29.7854 179.1839 128 R 4.0330 8.4088 118.5649 59.3605 30.0857 178.3175 129 A 4.4490 8.8689 121.2482 55.0274 18.3365 179.8129 130 K 4.0762 8.5548 117.5171 59.6772 32.2476 179.7531 131 R 3.9979 8.1822 118.3903 59.1523 30.0394 178.7633 132 L 4.0976 8.1493 120.1095 58.3183 42.2554 178.7922 133 F 4.4257 8.9898 120.9439 61.4038 39.0760 176.8450 134 E 3.9678 8.2059 117.1115 59.6547 29.4947 178.9320 135 E 4.1254 8.2385 118.2819 59.3684 29.2645 179.1729 136 F 4.2390 8.2639 119.9287 61.2941 39.4891 176.9004 137 L 3.7061 7.3354 117.6712 57.2910 41.4394 177.2446 138 K 4.0748 7.4520 121.9288 56.6050 31.9563 176.6393 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 12 F 8.13 5.04 0.00 3.24 3.39 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 13 V 8.03 3.45 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 1.07 0.00 0.00 0.90 0.00 0.00 14 A 8.78 4.01 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 15 E 8.22 4.10 0.00 2.30 2.03 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 2.43 2.50 0.00 16 L 8.24 4.04 0.00 1.80 1.78 1.11 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.43 4.44 0.00 3.09 2.90 0.00 0.00 6.61 6.49 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 18 N 7.84 4.56 0.00 2.76 3.05 0.00 0.00 7.13 8.80 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 19 L 7.90 4.57 0.00 1.81 1.65 0.90 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.12 4.28 0.00 1.63 1.62 0.93 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 21 G 9.18 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 22 R 7.92 4.67 0.00 1.79 2.01 0.00 3.30 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 23 E 8.70 4.76 0.00 1.99 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 0.00 2.29 2.50 0.00 24 V 9.11 4.73 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 0.64 0.00 0.00 1.01 0.00 0.00 25 Q 8.95 5.02 0.00 2.11 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 26 V 9.07 4.71 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.98 0.00 0.00 27 V 8.53 4.51 1.71 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 0.99 0.00 0.00 0.88 0.00 0.00 28 L 9.13 5.32 0.00 1.86 1.64 1.01 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 29 S 9.09 4.33 0.00 4.06 4.08 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 30 N 8.18 4.61 0.00 2.85 2.94 0.00 0.00 6.35 7.00 0.00 0.00 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 8.17 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.41 4.30 0.00 2.19 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 2.37 2.47 0.00 33 V 7.92 4.77 2.00 0.00 0.00 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 0.97 0.00 0.00 34 Y 8.97 4.87 0.00 3.01 2.93 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 35 K 8.73 4.95 0.00 1.77 1.62 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.32 1.36 7.81 36 G 8.47 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 0.00 0.00 0.00 37 V 7.85 4.36 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 0.94 0.00 0.00 0.94 0.00 0.00 38 L 9.18 4.32 0.00 1.79 1.72 1.00 0.82 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 39 H 9.23 4.67 0.00 3.10 3.43 0.00 6.04 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.62 4.63 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 41 V 8.62 5.07 2.12 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 1.05 0.00 0.00 0.98 0.00 0.00 42 D 8.57 5.05 0.00 2.91 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 43 N 8.68 4.20 0.00 2.68 2.87 0.00 0.00 6.87 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 44 Q 7.95 3.87 0.00 1.88 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.72 0.00 0.00 0.00 0.00 0.00 2.12 2.25 0.00 45 L 7.87 3.75 0.00 1.70 1.86 1.02 1.02 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 46 N 9.21 4.95 0.00 3.00 2.86 0.00 0.00 6.82 7.45 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 47 I 8.70 4.89 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.11 0.94 0.00 0.00 48 V 8.94 4.69 2.17 0.00 0.00 0.00 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 1.19 0.00 0.00 49 L 8.82 5.11 0.00 1.52 1.54 0.99 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 50 A 9.25 4.74 1.20 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 0.00 0.00 51 N 8.28 4.21 0.00 2.79 2.86 0.00 0.00 6.85 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 52 A 8.01 5.13 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.36 5.73 0.00 3.91 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 54 N 8.26 5.09 0.00 2.29 1.42 0.00 0.00 6.74 7.87 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 55 K 8.46 3.75 0.00 1.65 1.86 0.00 1.57 0.00 0.00 1.63 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.46 7.81 56 A 7.98 4.09 1.28 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 0.00 0.00 0.00 57 G 8.23 3.89 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 0.00 58 E 8.17 4.13 0.00 2.16 1.60 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 2.31 2.30 0.00 59 K 7.87 5.02 0.00 1.38 1.55 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.22 1.29 7.81 60 F 9.30 4.82 0.00 2.93 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 61 N 9.20 4.37 0.00 2.83 2.85 0.00 0.00 6.89 7.65 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 62 R 7.85 4.91 0.00 1.46 0.84 0.00 3.02 0.00 0.00 2.88 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.52 0.00 63 V 8.25 3.93 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 0.40 0.00 0.00 0.67 0.00 0.00 64 F 8.67 5.03 0.00 2.90 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 65 I 8.49 4.44 1.89 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 1.09 0.79 0.94 0.00 0.00 *67 Y 8.47 4.77 0.00 3.29 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.13 3.78 0.00 1.39 1.46 0.00 2.95 0.00 0.00 3.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.80 0.00 69 Y 7.81 4.41 0.00 3.09 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 70 I 7.58 4.28 2.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.59 1.04 0.00 0.00 71 V 8.94 4.05 2.21 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 0.87 0.00 0.00 0.98 0.00 0.00 72 H 7.73 4.99 0.00 3.20 3.38 0.00 5.45 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.25 4.98 1.77 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.74 0.93 0.00 0.00 74 D 9.46 5.10 0.00 2.53 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 75 S 8.45 4.93 0.00 3.78 3.63 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 76 T 8.78 4.32 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 77 E 7.48 4.31 0.00 1.99 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 2.29 2.26 0.00 78 R 8.26 4.42 0.00 1.71 1.78 0.00 3.24 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 79 R 8.24 4.57 0.00 1.75 1.83 0.00 3.38 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 80 I 8.39 3.93 1.97 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 1.27 0.47 1.17 0.00 0.00 81 D 8.65 4.88 0.00 2.86 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 *83 R 8.22 3.74 0.00 1.86 1.70 0.00 2.96 0.00 0.00 3.02 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 84 E 8.07 3.99 0.00 2.19 2.32 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 2.46 2.38 0.00 85 F 8.04 3.31 0.00 2.03 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 86 A 8.02 3.89 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.52 3.88 0.00 1.88 1.85 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.61 7.81 88 Q 8.05 4.04 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 89 A 7.86 3.93 1.05 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 0.00 0.00 90 E 8.32 4.20 0.00 2.13 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 2.30 2.39 0.00 91 K 7.59 4.07 0.00 1.82 1.80 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.62 7.81 92 I 7.35 3.91 1.41 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.64 -0.03 0.00 0.00 93 F 8.20 4.94 0.00 2.90 2.93 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 94 P 0.00 4.38 0.00 2.17 2.09 0.00 3.53 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 95 G 8.80 3.57 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 0.00 0.00 0.00 *97 V 7.47 4.12 2.30 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 0.78 0.00 0.00 1.03 0.00 0.00 98 K 8.72 4.62 0.00 1.84 1.58 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.37 7.81 99 Y 8.83 4.79 0.00 3.01 2.90 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 0.00 100 I 7.90 4.14 1.63 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.68 0.86 0.00 0.00 101 E 8.37 3.74 0.00 2.15 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 2.25 2.31 0.00 102 E 8.15 4.06 0.00 1.89 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 2.34 0.00 103 T 7.44 4.40 4.19 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 1.16 0.00 0.00 104 N 7.92 4.13 0.00 2.93 2.93 0.00 0.00 6.88 7.84 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 0.00 105 V 7.23 4.73 2.16 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 0.73 0.00 0.00 0.85 0.00 0.00 106 V 9.01 4.86 2.37 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 0.97 0.00 0.00 1.30 0.00 0.00 107 L 8.86 4.90 0.00 1.61 1.53 0.88 0.78 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 0.00 108 I 8.55 4.21 1.55 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.14 -0.03 0.00 0.00 109 G 8.42 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 0.00 0.00 0.00 0.00 110 D 8.60 4.55 0.00 2.62 2.67 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 0.00 111 K 7.95 4.48 0.00 1.70 1.75 0.00 1.73 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 1.35 7.81 112 V 7.46 4.57 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 0.98 0.00 0.00 0.84 0.00 0.00 113 R 8.71 4.88 0.00 1.84 1.64 0.00 3.03 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.47 0.00 114 V 9.10 4.55 2.03 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 0.11 0.00 0.00 0.90 0.00 0.00 115 S 8.02 4.91 0.00 3.88 3.88 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 0.00 116 E 8.89 4.23 0.00 2.01 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 2.44 2.45 0.00 117 I 7.69 3.90 1.80 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 1.24 0.65 0.86 0.00 0.00 118 G 6.23 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 0.00 0.00 0.00 119 V 7.41 3.95 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 0.73 0.00 0.00 0.80 0.00 0.00 120 E 10.15 4.46 0.00 1.91 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 2.14 2.16 0.00 121 G 7.59 4.52 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 0.00 122 V 7.65 4.37 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 0.75 0.00 0.00 0.92 0.00 0.00 123 G 8.52 3.89 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 0.00 124 P 0.00 4.25 0.00 2.21 2.16 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 125 V 7.79 3.70 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 0.75 0.00 0.00 0.98 0.00 0.00 126 A 7.98 4.05 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 0.00 127 E 8.44 3.89 0.00 2.32 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 2.34 2.41 0.00 128 R 8.41 4.03 0.00 2.08 2.36 0.00 3.24 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.77 0.00 129 A 8.87 4.45 1.42 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 0.00 0.00 130 K 8.55 4.08 0.00 2.07 1.95 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.71 7.81 131 R 8.18 4.00 0.00 2.11 2.06 0.00 3.18 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 132 L 8.15 4.10 0.00 2.07 2.24 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 133 F 8.99 4.43 0.00 3.17 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 0.00 134 E 8.21 3.97 0.00 2.25 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 2.65 2.57 0.00 135 E 8.24 4.13 0.00 2.27 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 2.37 2.63 0.00 136 F 8.26 4.24 0.00 3.27 3.39 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 0.00 137 L 7.34 3.71 0.00 1.72 1.53 0.80 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 138 K 7.45 4.07 0.00 1.81 1.68 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.54 7.81 * Residues marked with a * may have inaccurate shift predictions.