NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 A 4.2374 8.2644 123.5959 51.5242 20.2621 176.2915 9 L 4.1631 8.0333 120.7272 54.6086 41.8963 174.4280 10 K 4.8394 10.2818 128.9736 56.0833 34.5533 175.8408 11 I 5.1260 9.2304 125.8683 59.3445 40.7858 174.1411 12 L 5.3438 9.1219 128.5562 53.4172 44.7506 174.7915 13 I 4.9032 9.0415 127.5397 59.5937 39.8425 174.7404 14 V 4.8196 9.1994 127.2356 61.3489 34.0238 173.9201 15 E 5.0628 9.0184 129.1807 55.0993 32.7942 175.6810 16 D 4.6955 8.9422 125.5891 54.6285 40.4683 176.2925 17 D 4.5877 8.6012 121.1960 53.6567 42.1025 176.6164 18 T 3.9120 8.5301 124.1358 66.8266 68.6681 176.1336 19 D 4.3887 8.1484 119.9724 57.5937 40.8791 178.7648 20 A 4.2527 8.5503 121.1697 55.0079 18.3218 179.7238 21 R 3.8943 8.2327 117.3668 59.8400 30.2803 178.7451 22 E 4.0574 8.6992 118.7457 58.7853 29.3535 179.2571 23 W 4.2145 8.4650 128.7202 60.4735 30.9904 177.9767 24 L 3.4550 8.2876 119.2016 57.7067 40.9887 179.4797 25 S 4.0505 8.1749 112.9199 61.6814 62.3875 176.2356 26 T 3.8955 8.1657 119.8217 66.1773 68.0707 176.7586 27 I 3.6737 7.3975 113.7237 63.8241 37.6202 177.8679 28 I 4.1164 7.5246 121.4287 64.0005 37.2982 178.2605 29 S 4.9465 8.3196 116.7526 61.0384 62.3849 176.2430 30 N 4.3762 7.8426 118.8348 55.5745 38.2557 175.1862 31 H 4.6015 8.0559 113.5056 54.8942 30.6283 173.4314 32 F 4.6021 7.8384 118.2014 55.0649 41.4777 173.7340 33 P 4.2749 0.0000 0.0000 64.6918 31.5024 176.4082 34 E 4.1759 7.9780 119.3388 53.9112 29.8026 173.7997 35 V 4.9046 7.4062 121.6979 60.4994 34.7008 174.1499 36 W 5.0406 9.6558 126.9626 54.8605 32.9634 174.5312 37 S 5.3413 8.8180 115.7480 56.7142 65.6979 172.9870 38 A 4.9341 9.7653 124.6800 50.3679 22.2736 176.8290 39 G 4.0702 10.0711 109.3976 45.3717 0.0000 173.0305 40 D 4.6329 7.5785 118.5581 51.2179 42.9831 176.3167 41 G 3.6653 8.3426 107.4398 47.8967 0.0000 175.8380 42 E 3.9032 8.1819 120.9310 59.2949 29.8825 178.3530 43 E 4.0853 9.1774 119.9311 59.0779 29.6595 178.9476 44 G 3.6473 8.4777 106.3191 47.7123 0.0000 175.2618 45 E 3.9621 8.4268 122.1128 59.0262 29.6692 179.0539 46 R 3.9235 8.0582 117.9985 59.4632 30.1883 179.1625 47 L 3.9614 8.0913 118.5651 57.3992 41.4613 179.4826 48 F 3.8976 8.2453 121.0505 61.2020 39.1842 177.4900 49 G 3.6781 7.9912 103.9686 47.6310 0.0000 175.3650 50 L 4.0184 7.4461 120.4282 57.0378 41.8310 178.1773 51 H 4.3745 7.3462 111.5965 54.2284 30.7991 174.6102 52 A 2.7001 7.4703 121.9580 52.2952 15.8522 175.0234 53 P 4.3937 0.0000 0.0000 61.8591 32.9826 177.3734 54 D 4.5932 8.6729 119.4454 56.4240 42.2357 176.4745 55 V 4.9440 8.2470 117.7933 60.9467 34.9625 174.5843 56 I 4.9688 8.8548 127.7687 59.5889 40.5033 174.4790 57 I 4.8912 9.2228 128.2288 59.9656 39.1594 174.4654 58 T 5.1514 8.8819 121.8923 60.1748 71.1070 172.7269 59 D 4.9109 8.8589 126.4520 54.0917 43.2187 176.4334 60 I 4.1159 8.3628 120.0052 63.0091 38.5659 176.1426 61 R 4.3752 7.6406 119.7639 54.7456 31.0297 174.4882 *63 P 4.1169 0.0000 0.0000 63.2530 32.5634 175.9135 64 K 4.1916 8.9524 123.1515 56.9659 30.5965 175.9912 65 L 4.6287 7.2355 118.4022 53.3255 45.0254 175.6115 66 G 4.3366 8.1821 113.6697 43.6708 0.0000 174.5912 67 G 3.8364 8.5823 109.6517 47.8865 0.0000 175.4782 68 L 4.0932 8.0406 119.7764 57.7387 41.8813 180.3895 69 E 4.1230 7.6231 115.6412 56.8632 28.9376 179.0051 *71 L 4.0664 8.0629 120.9277 54.8932 43.9493 178.7312 72 D 4.2357 8.4304 117.8272 57.5048 40.8568 178.5743 73 R 3.8984 7.6318 117.0297 59.3484 30.2152 178.8533 74 I 3.6801 7.4550 119.0211 64.1147 36.8650 178.5576 75 K 4.0044 8.2167 119.4332 59.4471 31.7185 179.1215 76 A 3.6461 8.2630 120.2152 55.0520 18.2375 179.1265 77 G 3.7714 7.4851 102.0759 45.4069 0.0000 174.6839 78 G 3.9596 9.0328 110.1077 44.9274 0.0000 174.0631 79 A 4.3507 7.5534 121.8712 51.9951 19.5909 177.7018 80 K 4.4921 8.0290 118.3140 54.0287 32.5730 174.3112 81 P 4.5562 0.0000 0.0000 62.0179 33.4196 176.8944 82 Y 3.8924 8.4521 119.1649 57.8018 39.1316 174.9237 83 V 4.8639 8.7390 122.0969 61.1444 35.0491 173.9163 84 I 4.9106 8.9401 128.4859 59.5234 40.2817 174.4282 85 V 4.6817 8.7391 128.0115 60.9181 33.1699 175.9729 86 I 5.2508 8.6375 123.0380 60.1045 38.1253 175.4062 87 S 4.6642 8.4683 116.5516 58.3502 63.8776 174.3934 88 A 4.4274 8.2204 131.6407 50.7711 17.5662 175.7926 89 F 4.4759 7.5397 117.4725 56.9010 39.2863 177.0568 90 S 4.9557 8.8081 114.2727 57.7623 64.0307 173.3353 91 E 4.7357 8.5570 124.2766 57.6001 30.3820 178.1801 *93 K 4.3468 8.6264 122.9716 55.8559 34.3158 175.5799 94 Y 3.9275 7.6871 115.7554 61.0431 37.7460 177.7826 95 F 4.1449 8.0733 121.0486 61.4111 39.5459 176.9463 96 I 3.2775 7.7038 118.6560 64.2870 37.0196 178.2233 97 K 4.0229 7.9076 120.0938 59.2805 32.1037 178.5875 98 A 4.0072 8.2482 121.5044 55.4058 18.1195 179.7605 99 I 3.7494 7.5011 117.1156 64.2565 37.1351 178.2694 100 E 4.0554 7.6722 118.7363 59.4452 29.3982 179.1498 101 L 4.1782 7.7074 117.8474 55.2731 42.8010 177.5057 102 G 3.8069 7.7312 106.3346 46.1233 0.0000 172.1452 103 V 4.0778 7.3077 121.9294 62.1288 33.3916 175.2454 104 H 4.8954 8.4086 121.8571 55.5487 29.8770 174.8209 105 L 4.4448 6.9972 117.3600 54.4154 45.2975 172.3838 106 F 5.1130 9.2770 124.9682 55.8309 40.8101 175.7206 107 L 4.9339 9.0033 127.0489 52.1267 41.7534 173.7154 108 P 4.8333 0.0000 0.0000 62.1237 32.6910 176.7512 109 K 4.6412 8.4339 119.8090 55.0092 33.1575 175.4160 110 P 4.3963 0.0000 0.0000 62.2806 32.0911 176.3960 111 I 3.8258 8.3370 122.8642 61.6271 37.7508 175.9715 112 E 4.4722 8.7426 125.2657 54.2036 28.6637 174.7931 113 P 4.2389 0.0000 0.0000 65.7801 31.4310 178.2894 114 G 3.8086 8.3124 106.5385 48.3469 0.0000 174.5535 115 R 3.9608 8.0350 120.5621 58.8369 30.4935 178.1521 116 L 4.2338 7.8664 116.7936 55.8231 41.6187 178.0755 *118 E 4.2548 8.2936 118.3143 56.3391 31.5654 178.3642 119 T 3.4464 7.5855 114.8429 66.4850 68.3003 176.7801 120 L 3.8173 7.7973 120.8330 57.7596 41.4540 179.4906 121 E 4.0329 7.9983 118.1004 59.2507 29.3543 178.8671 122 D 4.3126 7.9752 119.1905 57.4953 40.9211 178.8566 123 F 4.1231 7.5856 118.1402 60.4980 38.8090 177.7048 124 R 3.9948 8.3290 118.5382 59.7884 29.9138 178.3048 125 H 4.2926 8.4159 116.2344 58.9646 28.8279 177.8207 126 I 3.7781 8.0502 121.7977 64.3793 36.7465 178.4625 127 K 4.1487 8.0776 119.0998 59.1688 32.1628 178.6367 128 L 4.1368 7.9842 119.7245 57.5970 41.4818 178.8911 129 A 3.9767 8.4885 120.8560 54.9966 18.3751 178.8619 130 K 4.0958 7.9761 115.9400 56.2940 32.6030 176.3521 131 E 4.1726 8.2520 123.2589 56.9949 30.1957 174.0721 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 8 A 8.26 4.24 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 9 L 8.03 4.16 0.00 1.84 1.84 1.02 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 10 K 10.28 4.84 0.00 1.93 2.16 0.00 2.06 0.00 0.00 2.00 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.70 1.56 7.81 11 I 9.23 5.13 1.90 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.82 0.91 0.00 0.00 12 L 9.12 5.34 0.00 1.81 1.72 1.11 1.14 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 13 I 9.04 4.90 1.93 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 1.13 0.91 0.95 0.00 0.00 14 V 9.20 4.82 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 0.99 0.00 0.00 0.97 0.00 0.00 15 E 9.02 5.06 0.00 2.16 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 0.00 2.29 2.60 0.00 16 D 8.94 4.70 0.00 2.85 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 17 D 8.60 4.59 0.00 2.87 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 18 T 8.53 3.91 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 1.24 0.00 0.00 19 D 8.15 4.39 0.00 2.88 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 20 A 8.55 4.25 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 21 R 8.23 3.89 0.00 2.07 2.16 0.00 3.19 0.00 0.00 3.51 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 22 E 8.70 4.06 0.00 2.11 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 2.37 2.57 0.00 23 W 8.46 4.21 0.00 3.45 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 24 L 8.29 3.45 0.00 1.98 1.64 0.99 0.71 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 25 S 8.17 4.05 0.00 3.95 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 26 T 8.17 3.90 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 1.21 0.00 0.00 27 I 7.40 3.67 1.66 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.18 0.64 0.00 0.00 28 I 7.52 4.12 1.90 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.50 0.89 0.00 0.00 29 S 8.32 4.95 0.00 3.96 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 30 N 7.84 4.38 0.00 2.71 2.61 0.00 0.00 6.79 8.31 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 31 H 8.06 4.60 0.00 2.77 2.82 0.00 5.80 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 7.84 4.60 0.00 3.17 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 33 P 0.00 4.27 0.00 2.13 2.14 0.00 3.77 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 34 E 7.98 4.18 0.00 1.97 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 2.12 2.20 0.00 35 V 7.41 4.90 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 0.81 0.00 0.00 0.96 0.00 0.00 36 W 9.66 5.04 0.00 3.30 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 37 S 8.82 5.34 0.00 3.86 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 38 A 9.77 4.93 1.27 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 0.00 0.00 0.00 39 G 10.07 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 0.00 0.00 0.00 40 D 7.58 4.63 0.00 3.16 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 41 G 8.34 3.67 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 0.00 42 E 8.18 3.90 0.00 2.05 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 0.00 2.38 2.36 0.00 43 E 9.18 4.09 0.00 2.05 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 2.35 2.36 0.00 44 G 8.48 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.43 3.96 0.00 2.17 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 2.31 2.31 0.00 46 R 8.06 3.92 0.00 2.03 1.96 0.00 3.34 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.83 0.00 47 L 8.09 3.96 0.00 1.85 1.63 1.06 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 48 F 8.25 3.90 0.00 3.24 3.18 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 0.00 0.00 0.00 0.00 49 G 7.99 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 50 L 7.45 4.02 0.00 1.44 1.18 0.87 0.98 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 51 H 7.35 4.37 0.00 1.87 2.15 0.00 5.75 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.47 2.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.39 0.00 2.38 1.88 0.00 2.64 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 2.05 1.92 0.00 54 D 8.67 4.59 0.00 2.70 2.85 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 0.00 0.00 0.00 55 V 8.25 4.94 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 1.14 0.00 0.00 0.96 0.00 0.00 56 I 8.85 4.97 1.85 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.70 0.91 0.00 0.00 57 I 9.22 4.89 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.87 0.94 0.00 0.00 58 T 8.88 5.15 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 1.20 0.00 0.00 59 D 8.86 4.91 0.00 3.05 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.36 4.12 1.74 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.66 0.78 0.00 0.00 61 R 7.64 4.38 0.00 1.75 1.85 0.00 3.26 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.39 0.00 *63 P 0.00 4.12 0.00 2.08 2.03 0.00 3.82 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.13 0.00 64 K 8.95 4.19 0.00 1.92 1.96 0.00 2.06 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.42 7.81 65 L 7.24 4.63 0.00 1.66 1.43 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.18 4.34 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 0.00 67 G 8.58 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 68 L 8.04 4.09 0.00 1.74 1.71 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 69 E 7.62 4.12 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 2.33 2.33 0.00 *71 L 8.06 4.07 0.00 1.82 1.64 0.85 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.43 4.24 0.00 2.83 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 73 R 7.63 3.90 0.00 1.77 1.93 0.00 3.32 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 74 I 7.45 3.68 1.59 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.64 -0.25 0.00 0.00 75 K 8.22 4.00 0.00 1.79 1.77 0.00 1.68 0.00 0.00 1.50 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.63 1.49 7.81 76 A 8.26 3.65 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 77 G 7.49 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 0.00 0.00 0.00 0.00 78 G 9.03 3.96 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 0.00 0.00 0.00 79 A 7.55 4.35 1.45 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 0.00 0.00 80 K 8.03 4.49 0.00 1.58 1.56 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.25 1.33 7.81 81 P 0.00 4.56 0.00 2.10 2.23 0.00 3.63 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.80 0.00 82 Y 8.45 3.89 0.00 2.13 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 83 V 8.74 4.86 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 1.03 0.00 0.00 0.90 0.00 0.00 84 I 8.94 4.91 1.93 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.86 0.96 0.00 0.00 85 V 8.74 4.68 1.86 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 1.39 0.00 0.00 0.83 0.00 0.00 86 I 8.64 5.25 1.97 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 1.24 1.96 0.98 0.00 0.00 87 S 8.47 4.66 0.00 4.14 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.22 4.43 1.22 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 0.00 0.00 89 F 7.54 4.48 0.00 2.98 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 90 S 8.81 4.96 0.00 3.61 3.72 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 91 E 8.56 4.74 0.00 2.19 1.76 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 2.22 2.42 0.00 *93 K 8.63 4.35 0.00 1.71 1.86 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.04 7.81 94 Y 7.69 3.93 0.00 2.14 2.31 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 95 F 8.07 4.14 0.00 3.40 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 96 I 7.70 3.28 1.95 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 1.57 1.04 0.84 0.00 0.00 97 K 7.91 4.02 0.00 1.81 1.86 0.00 1.48 0.00 0.00 1.59 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.46 7.81 98 A 8.25 4.01 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 0.00 0.00 0.00 0.00 0.00 99 I 7.50 3.75 1.66 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.03 0.85 0.00 0.00 100 E 7.67 4.06 0.00 2.06 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 2.28 2.56 0.00 101 L 7.71 4.18 0.00 1.71 1.65 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 102 G 7.73 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 0.00 0.00 0.00 103 V 7.31 4.08 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 0.15 0.00 0.00 0.79 0.00 0.00 104 H 8.41 4.90 0.00 3.41 3.60 0.00 5.76 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.00 4.44 0.00 1.76 1.54 1.00 1.04 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 0.00 106 F 9.28 5.11 0.00 3.09 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 0.00 107 L 9.00 4.93 0.00 1.77 1.57 0.97 0.87 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 0.00 108 P 0.00 4.83 0.00 2.07 2.01 0.00 3.88 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 109 K 8.43 4.64 0.00 1.67 1.78 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.50 1.64 7.81 110 P 0.00 4.40 0.00 2.12 1.99 0.00 3.75 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 111 I 8.34 3.83 2.39 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.70 1.09 0.00 0.00 112 E 8.74 4.47 0.00 2.08 1.97 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 2.40 2.33 0.00 113 P 0.00 4.24 0.00 2.23 2.31 0.00 3.93 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.27 0.00 114 G 8.31 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 0.00 0.00 0.00 115 R 8.03 3.96 0.00 1.87 2.10 0.00 3.21 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 116 L 7.87 4.23 0.00 1.77 1.69 0.87 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 *118 E 8.29 4.25 0.00 2.03 1.97 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 2.27 2.66 0.00 119 T 7.59 3.45 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 0.00 120 L 7.80 3.82 0.00 1.56 1.05 0.64 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.00 4.03 0.00 2.11 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 2.48 2.33 0.00 122 D 7.98 4.31 0.00 2.39 2.50 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 0.00 123 F 7.59 4.12 0.00 3.03 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 0.00 124 R 8.33 3.99 0.00 2.16 2.08 0.00 3.14 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 125 H 8.42 4.29 0.00 3.39 3.31 0.00 5.68 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 0.00 126 I 8.05 3.78 1.98 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 1.45 1.38 1.07 0.00 0.00 127 K 8.08 4.15 0.00 1.87 2.04 0.00 1.99 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.55 7.81 128 L 7.98 4.14 0.00 2.01 1.72 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.49 3.98 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 0.00 130 K 7.98 4.10 0.00 1.95 1.94 0.00 2.01 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.50 7.81 131 E 8.25 4.17 0.00 2.14 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 2.30 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.