NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.0733 8.1400 114.7909 57.8046 64.4172 174.1905 2 L 4.2024 8.2891 122.3618 57.7005 41.7015 177.8602 3 L 4.0566 8.5070 119.2182 57.5888 41.7496 178.5325 4 E 4.1621 8.4729 119.0647 58.9994 29.6417 178.6393 5 F 4.6689 8.4394 120.4154 61.5551 39.4949 177.3093 6 G 3.5269 8.5588 105.5180 47.3199 0.0000 175.7521 7 K 4.0117 7.6616 121.3431 59.7340 32.2704 178.8681 8 M 4.1197 8.2740 119.0041 58.3670 31.8177 178.7144 9 I 3.5690 7.6258 119.8879 64.4564 37.3095 178.3280 10 L 4.2624 7.7923 122.2253 57.3931 41.5870 178.9903 11 E 3.9336 7.8809 118.0674 59.6244 29.6375 178.8737 12 E 4.1715 8.5381 117.6373 58.4688 29.5958 177.8561 13 T 4.3402 8.1980 107.4723 60.6065 71.0149 175.6028 14 G 3.8182 7.9441 110.1672 45.5372 0.0000 173.1725 *16 R 4.7357 7.3966 117.1303 55.9333 31.2734 174.5861 17 L 4.2735 8.2365 120.2082 53.9656 42.8546 176.9598 18 A 4.1216 8.8199 125.8999 54.9240 18.4493 177.4720 19 I 4.8431 7.3829 115.0456 60.0742 38.5273 172.7366 20 P 4.9444 0.0000 0.0000 63.1096 28.6740 176.1422 21 S 4.3250 7.5025 112.5618 61.7538 62.8392 175.5757 22 Y 4.6057 7.8801 113.8794 57.4953 38.7678 176.3512 23 S 4.3771 8.1567 115.3354 58.4277 64.5955 174.5847 24 S 4.5647 7.6425 116.8240 57.8173 62.8400 173.0199 25 Y 4.5990 8.0782 121.7992 57.4358 40.8106 175.4178 26 G 3.6308 8.2839 117.9634 46.1703 0.0000 172.5239 27 C 4.5678 9.3211 116.3448 57.6271 40.8604 174.5423 28 Y 4.3076 8.2543 114.6474 57.6202 40.1542 174.9319 29 C 4.6172 8.4048 117.6239 59.0003 40.0731 172.0928 30 G 3.3511 6.9790 117.0430 45.4000 0.0000 172.4249 31 W 4.6765 8.2786 120.9087 57.4704 31.7018 176.8948 32 G 3.8864 8.7979 106.6591 47.8112 0.0000 173.3883 33 G 3.8417 7.9850 104.9993 45.5439 0.0000 171.8219 34 K 4.4892 7.5496 119.9003 56.3328 37.2231 178.2944 35 G 3.8863 8.7838 108.0581 44.9340 0.0000 172.0459 36 T 4.5552 8.1913 116.3864 60.7721 70.5466 172.4550 37 P 4.5134 0.0000 0.0000 63.4523 31.7993 176.3373 38 K 4.1113 8.5361 120.3285 57.8509 32.9127 176.2156 39 D 4.3767 7.4783 116.8004 50.9981 42.9147 175.6658 40 A 3.9883 8.5008 120.6700 56.2003 17.9567 179.9295 41 T 4.0085 7.8972 113.2315 66.8023 68.5475 176.3664 42 D 4.4834 8.9396 120.4921 57.4356 41.2451 178.5600 43 R 4.0009 8.4547 119.0660 59.1808 29.9793 178.2651 44 C 4.2638 8.1865 116.0619 60.3605 35.3275 175.5911 45 C 4.3640 8.2552 118.1309 59.8420 35.1243 175.9703 46 F 3.7851 8.2828 122.3449 61.2292 38.9743 177.3799 47 V 3.2499 8.3411 118.2136 65.9486 31.2659 177.4342 48 H 3.8465 8.0963 118.2791 59.1074 29.5857 176.5725 49 D 4.2587 7.4733 117.5566 55.0163 39.9445 177.2445 50 C 4.2270 7.3957 119.1435 59.9207 38.0940 174.8921 51 C 4.1365 7.9223 120.3035 59.8484 37.4048 175.2341 52 Y 4.1625 7.8790 118.1063 60.5075 37.1054 178.6120 53 G 3.5950 7.6507 108.6303 48.5978 0.0000 174.6579 54 N 4.4755 7.7820 114.8428 54.5057 39.0363 175.3615 55 L 4.6824 7.0774 119.1484 53.0615 41.1633 175.1825 56 P 4.2046 0.0000 0.0000 65.6542 32.2392 178.6461 *59 D 4.7469 7.8485 114.3449 53.2985 41.0544 175.2398 *61 C 5.1799 7.9245 116.7024 57.2821 35.5942 172.5696 *67 N 5.0641 8.0180 116.2239 52.1232 36.9189 172.8793 68 P 4.0000 0.0000 0.0000 65.7726 32.0216 178.6896 69 K 4.0440 8.2351 118.9777 58.8515 32.1322 178.0230 70 S 4.4950 7.7585 109.2530 58.1931 64.8914 173.8257 71 D 4.3246 7.8535 120.4759 54.5205 41.1680 175.6468 72 R 4.6275 8.6540 125.1093 54.3676 31.4831 174.8699 73 Y 4.9738 7.6163 118.0971 55.0366 41.4459 174.3423 74 K 4.9890 8.6177 118.0840 54.9148 35.6205 175.1219 75 Y 5.5490 8.1819 120.4664 56.0068 41.7878 173.3729 76 K 4.3775 9.1003 117.3677 56.5059 36.3099 174.3526 77 R 5.6959 8.4880 119.2735 54.2714 32.4464 176.6779 78 V 4.1885 7.8074 120.5946 62.0455 33.9078 175.1986 79 N 4.3007 9.8241 126.7464 54.4857 35.8553 175.6557 80 G 3.8829 8.2820 103.0930 45.7228 0.0000 173.3968 81 A 4.7397 7.5726 121.9496 50.2042 21.3677 176.7513 82 I 4.2788 8.2423 121.7768 61.3438 38.2749 175.8625 83 V 4.4371 8.9186 126.0250 61.2649 34.9359 173.5208 84 C 4.9610 8.9050 125.6834 56.4065 40.5399 173.4923 85 E 4.2733 8.8686 124.1530 56.2201 29.8062 176.9382 86 K 4.1818 8.5191 121.7001 55.9786 34.0426 176.1564 *88 G 4.3054 8.0975 110.5027 45.4116 0.0000 173.7319 89 T 4.2128 8.2324 113.8633 61.0736 71.1182 175.5626 90 S 4.0660 8.6320 116.5653 61.9935 62.2990 177.2177 91 C 4.2125 8.1143 118.3377 60.2318 34.7882 175.5059 92 E 4.0094 8.1155 119.8690 59.8841 29.2259 179.5466 93 N 4.2504 8.2535 116.1212 56.3609 38.6382 177.8251 94 R 3.8925 8.0805 119.5216 59.0867 30.1437 179.0509 95 I 3.5935 8.1049 120.0897 64.5782 37.0221 177.6624 96 C 3.4932 7.5863 118.8562 59.2958 41.6122 175.4910 97 E 3.6630 7.8608 119.8782 59.3336 29.0988 178.5583 98 C 4.1412 7.9843 116.5122 60.1325 41.1784 176.0123 99 D 3.8010 7.9028 120.2281 56.9790 40.4721 178.4438 100 K 3.6607 8.4742 120.6130 59.5854 32.0291 178.4358 101 A 3.8305 7.8256 120.3898 55.0495 18.2570 179.3030 102 A 3.4675 7.6322 118.7229 55.2474 18.3829 179.7698 103 A 3.6759 7.9911 119.2285 55.2445 18.3974 179.9835 104 I 3.6548 7.5709 118.3260 64.5033 37.0366 177.8190 105 C 4.2356 8.2105 119.8070 59.6794 43.1951 175.6995 106 F 4.5112 7.7565 118.7309 60.4128 38.7060 177.4072 107 R 4.1001 7.8440 118.1754 59.4920 29.7873 178.4349 108 Q 4.2569 8.1806 116.0169 57.6836 28.7375 176.7608 109 N 5.0615 7.5589 115.5783 52.9003 39.4136 176.4757 110 L 4.1835 7.9600 121.1204 57.2752 41.9115 179.1425 111 N 4.3646 8.3350 117.0439 55.9900 39.0088 175.3024 112 T 4.4645 7.5629 105.0401 61.0863 69.5481 173.4628 113 Y 4.0614 7.8095 124.6626 58.1503 38.6394 174.8710 114 S 5.1102 8.5163 121.8742 56.2494 65.8127 175.3724 115 K 4.1540 8.5147 121.2455 58.1994 32.1181 179.0255 116 K 3.9513 7.7381 117.3497 58.8425 32.8419 177.0424 117 Y 4.0842 6.9957 116.3732 57.8043 38.1818 175.0935 118 M 4.5182 7.4221 120.3112 55.8712 32.7393 175.9995 119 L 3.6563 9.0507 122.0726 55.6057 40.0049 174.5978 120 Y 4.1242 8.0053 118.3020 56.9647 39.6273 173.7463 121 P 4.0932 0.0000 0.0000 61.9367 32.3796 176.7999 122 D 4.0762 8.4973 121.9055 57.2042 41.1765 178.1357 *124 F 4.8231 7.8228 110.7742 56.3181 39.5125 175.1054 125 L 4.3816 7.0679 119.9815 54.7820 41.7764 175.4658 126 C 4.6849 7.9237 117.8395 55.6586 39.8385 172.9048 127 K 4.1410 8.0319 125.5577 57.6941 32.6151 180.1227 128 G 3.9213 7.7932 107.6877 45.8476 0.0000 170.8988 129 E 4.9436 8.5664 118.2166 54.3119 31.2904 175.6419 130 L 4.7426 8.4522 124.7710 53.3570 44.9414 175.0557 131 K 4.6916 8.4189 123.7731 54.6563 36.1174 175.2003 *133 C 4.8116 8.5414 113.0130 55.9676 42.9222 173.7236 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 1 S 8.14 5.07 0.00 4.17 4.17 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 0.00 0.00 0.00 0.00 2 L 8.29 4.20 0.00 1.98 1.89 1.33 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.51 4.06 0.00 1.83 1.70 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.47 4.16 0.00 1.81 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 1.96 2.30 0.00 5 F 8.44 4.67 0.00 3.37 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 6 G 8.56 3.53 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 0.00 0.00 0.00 7 K 7.66 4.01 0.00 2.21 2.18 0.00 1.69 0.00 0.00 1.79 0.00 0.00 3.21 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.76 1.54 7.81 8 M 8.27 4.12 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 1.91 0.00 9 I 7.63 3.57 1.81 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.29 0.65 0.00 0.00 10 L 7.79 4.26 0.00 1.77 1.81 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 11 E 7.88 3.93 0.00 2.23 2.04 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 2.40 2.53 0.00 12 E 8.54 4.17 0.00 1.88 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 0.00 2.47 2.42 0.00 13 T 8.20 4.34 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 1.25 0.00 0.00 14 G 7.94 3.82 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 *16 R 7.40 4.74 0.00 1.92 1.74 0.00 2.90 0.00 0.00 2.67 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.68 0.00 17 L 8.24 4.27 0.00 1.72 1.61 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.82 4.12 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 19 I 7.38 4.84 1.95 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 1.01 0.00 0.00 20 P 0.00 4.94 0.00 2.24 2.50 0.00 3.68 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 21 S 7.50 4.33 0.00 4.07 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 4.61 0.00 2.79 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 23 S 8.16 4.38 0.00 3.98 4.06 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 0.00 0.00 0.00 24 S 7.64 4.56 0.00 3.99 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 25 Y 8.08 4.60 0.00 2.98 2.69 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 0.00 0.00 0.00 0.00 26 G 8.28 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 0.00 0.00 0.00 27 C 9.32 4.57 0.00 2.94 3.07 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 28 Y 8.25 4.31 0.00 3.15 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 29 C 8.40 4.62 0.00 3.21 3.35 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 30 G 6.98 3.35 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 0.00 31 W 8.28 4.68 0.00 3.54 3.20 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 32 G 8.80 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 33 G 7.99 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 34 K 7.55 4.49 0.00 1.55 1.62 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.37 7.81 35 G 8.78 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 36 T 8.19 4.56 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 1.14 0.00 0.00 37 P 0.00 4.51 0.00 1.86 1.92 0.00 3.36 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.53 0.00 38 K 8.54 4.11 0.00 0.88 1.26 0.00 2.08 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 0.90 7.81 39 D 7.48 4.38 0.00 2.74 2.41 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 40 A 8.50 3.99 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 41 T 7.90 4.01 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 0.86 0.00 0.00 42 D 8.94 4.48 0.00 2.88 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 43 R 8.45 4.00 0.00 2.04 1.98 0.00 3.14 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.79 0.00 44 C 8.19 4.26 0.00 3.37 2.94 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 45 C 8.26 4.36 0.00 3.31 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.28 3.79 0.00 2.47 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 47 V 8.34 3.25 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 0.82 0.00 0.00 0.97 0.00 0.00 48 H 8.10 3.85 0.00 3.11 3.27 0.00 5.63 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.47 4.26 0.00 2.88 2.66 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 0.00 0.00 0.00 50 C 7.40 4.23 0.00 2.75 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 51 C 7.92 4.14 0.00 2.99 3.07 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 52 Y 7.88 4.16 0.00 3.08 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 53 G 7.65 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 0.00 0.00 0.00 0.00 54 N 7.78 4.48 0.00 2.71 2.85 0.00 0.00 6.95 7.52 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 55 L 7.08 4.68 0.00 1.52 1.55 0.83 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.20 0.00 2.17 2.09 0.00 3.58 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 *59 D 7.85 4.75 0.00 2.83 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 *61 C 7.92 5.18 0.00 2.94 3.06 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 0.00 0.00 0.00 *67 N 8.02 5.06 0.00 2.94 3.01 0.00 0.00 6.72 7.76 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 68 P 0.00 4.00 0.00 1.12 0.68 0.00 3.37 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.63 0.00 69 K 8.24 4.04 0.00 1.88 1.85 0.00 1.69 0.00 0.00 1.91 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.51 7.81 70 S 7.76 4.49 0.00 3.96 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 71 D 7.85 4.32 0.00 2.65 2.66 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 0.00 0.00 0.00 72 R 8.65 4.63 0.00 1.77 2.10 0.00 3.22 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.54 0.00 73 Y 7.62 4.97 0.00 3.02 2.97 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 74 K 8.62 4.99 0.00 1.76 1.72 0.00 1.64 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.44 7.81 75 Y 8.18 5.55 0.00 3.11 3.08 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 76 K 9.10 4.38 0.00 1.78 1.88 0.00 1.44 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.40 7.81 77 R 8.49 5.70 0.00 1.75 1.93 0.00 3.26 0.00 0.00 3.86 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.59 0.00 78 V 7.81 4.19 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 1.05 0.00 0.00 0.95 0.00 0.00 79 N 9.82 4.30 0.00 2.89 2.86 0.00 0.00 7.18 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 80 G 8.28 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 0.00 0.00 0.00 81 A 7.57 4.74 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 82 I 8.24 4.28 1.81 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 1.18 0.59 0.72 0.00 0.00 83 V 8.92 4.44 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 1.00 0.00 0.00 1.00 0.00 0.00 84 C 8.90 4.96 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 85 E 8.87 4.27 0.00 2.05 1.95 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 2.41 2.51 0.00 86 K 8.52 4.18 0.00 1.84 1.67 0.00 1.81 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.49 1.55 7.81 *88 G 8.10 4.31 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 0.00 89 T 8.23 4.21 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 90 S 8.63 4.07 0.00 3.89 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 91 C 8.11 4.21 0.00 2.99 3.09 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 92 E 8.12 4.01 0.00 2.20 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 0.00 2.53 2.44 0.00 93 N 8.25 4.25 0.00 2.93 2.80 0.00 0.00 7.05 7.10 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 94 R 8.08 3.89 0.00 1.79 1.91 0.00 3.09 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 95 I 8.10 3.59 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.65 0.95 0.00 0.00 96 C 7.59 3.49 0.00 1.71 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 97 E 7.86 3.66 0.00 2.11 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 2.45 2.42 0.00 98 C 7.98 4.14 0.00 3.27 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 99 D 7.90 3.80 0.00 2.80 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 0.00 100 K 8.47 3.66 0.00 1.68 1.87 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.35 1.37 7.81 101 A 7.83 3.83 1.24 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 0.00 0.00 102 A 7.63 3.47 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 0.00 103 A 7.99 3.68 1.30 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 0.00 0.00 104 I 7.57 3.65 1.92 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.75 0.87 0.00 0.00 105 C 8.21 4.24 0.00 2.96 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 0.00 106 F 7.76 4.51 0.00 2.98 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.84 4.10 0.00 1.96 2.07 0.00 3.10 0.00 0.00 3.42 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 108 Q 8.18 4.26 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.01 0.00 0.00 0.00 0.00 0.00 2.39 2.72 0.00 109 N 7.56 5.06 0.00 2.97 2.85 0.00 0.00 6.84 6.62 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 0.00 110 L 7.96 4.18 0.00 1.85 1.72 0.97 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.34 4.36 0.00 2.69 2.89 0.00 0.00 6.87 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 0.00 112 T 7.56 4.46 4.31 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 1.26 0.00 0.00 113 Y 7.81 4.06 0.00 3.12 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 0.00 114 S 8.52 5.11 0.00 3.97 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 0.00 115 K 8.51 4.15 0.00 1.84 1.89 0.00 1.69 0.00 0.00 1.90 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.64 1.52 7.81 116 K 7.74 3.95 0.00 1.55 1.73 0.00 1.23 0.00 0.00 1.50 0.00 0.00 2.59 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.00 0.29 7.81 117 Y 7.00 4.08 0.00 1.77 1.69 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 0.00 0.00 0.00 0.00 118 M 7.42 4.52 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.53 0.00 119 L 9.05 3.66 0.00 1.73 1.73 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 8.01 4.12 0.00 2.93 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 0.00 121 P 0.00 4.09 0.00 0.74 1.10 0.00 2.68 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 122 D 8.50 4.08 0.00 2.62 2.68 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 *124 F 7.82 4.82 0.00 3.12 3.21 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 0.00 125 L 7.07 4.38 0.00 1.12 1.53 0.02 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 126 C 7.92 4.68 0.00 3.09 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 0.00 127 K 8.03 4.14 0.00 1.77 1.77 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.48 1.43 7.81 128 G 7.79 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 0.00 129 E 8.57 4.94 0.00 1.97 1.90 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 2.23 2.27 0.00 130 L 8.45 4.74 0.00 1.55 1.61 0.86 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.42 4.69 0.00 1.83 1.72 0.00 1.81 0.00 0.00 1.94 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.38 7.81 *133 C 8.54 4.81 0.00 3.03 3.25 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 * Residues marked with a * may have inaccurate shift predictions.