NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7605 8.4093 117.7927 52.4297 39.3688 173.3303 4 T 4.6673 8.1995 109.7008 58.7365 71.1941 173.2114 5 T 4.5146 9.3946 114.8428 60.5424 72.4438 176.6135 6 Y 3.8919 8.4969 121.3949 60.9224 38.7145 178.1818 7 V 3.7611 7.9713 118.5810 66.1166 31.6747 177.8341 8 Q 4.0384 8.1599 117.7143 59.1941 28.6147 178.6972 9 E 4.1119 8.3350 119.5769 59.3000 29.3522 178.6139 10 Y 3.7069 8.3628 120.0493 61.0066 38.8376 177.7437 11 H 4.0550 8.7433 119.0788 59.2793 29.9575 176.9964 12 A 4.0146 8.0171 122.4191 55.2901 18.2464 179.7278 13 I 3.3630 7.4738 118.3427 64.2971 37.0519 178.8473 14 V 3.3193 7.5246 119.3679 65.7038 31.0230 177.5642 15 E 3.8400 7.7246 118.2658 59.1765 29.8195 178.8592 16 V 3.6359 7.4721 117.5599 66.1531 31.7420 178.1589 17 L 3.7718 8.0646 118.9609 57.5079 41.2186 179.3822 18 S 4.0980 8.4519 113.7819 61.2915 62.1250 176.4552 19 K 3.9544 7.9304 120.7979 59.3519 31.8022 178.5119 20 Y 4.2056 7.9897 119.3274 61.0546 38.7650 177.9771 21 N 4.1855 8.2623 117.2059 56.1350 38.5767 177.1577 22 E 4.0058 8.5402 121.1678 59.1598 29.7093 178.9726 23 G 3.7218 8.4480 106.3626 47.7201 0.0000 175.8848 24 G 3.5245 7.9474 108.0512 47.5194 0.0000 175.8015 25 K 4.0437 8.1276 122.5727 58.4942 32.0172 178.0651 26 K 4.2604 8.1984 115.7799 55.0735 33.3734 176.0113 27 A 3.7498 7.6792 121.5181 53.2251 16.7356 178.3148 28 D 4.6174 8.3383 120.5659 52.2487 42.9810 175.9127 29 S 4.1752 9.2059 123.1227 60.7337 63.1949 176.1815 30 T 3.8191 7.8061 111.1882 64.4709 68.5856 175.5195 31 I 3.9056 7.2934 119.9559 62.1002 36.9092 176.4847 *33 R 4.1921 8.0208 122.9762 55.9020 31.2767 175.7770 34 P 4.3836 0.0000 0.0000 64.8064 31.6405 177.1470 35 A 4.0768 8.1324 120.4966 53.3117 18.7510 176.6074 36 F 5.2961 7.9208 114.8070 55.1188 41.4516 175.7386 37 S 4.3546 8.8771 120.1128 58.1600 62.7854 175.3350 38 S 4.2392 8.7321 120.2050 61.3550 62.6768 175.2248 39 Q 4.2110 8.1126 117.6470 56.3318 29.1347 175.9711 40 A 5.0110 8.2376 121.3532 51.8432 19.7375 176.6944 41 T 4.8563 8.4595 109.1982 59.7224 73.0361 172.3799 42 I 4.9550 8.1878 122.0855 59.3415 41.3609 174.1152 43 F 5.3735 9.0956 126.3452 56.6046 43.8430 174.3749 44 G 3.5415 8.8899 107.1875 45.4404 0.0000 171.2289 45 V 4.7859 8.0225 119.3488 60.8939 34.1927 176.3736 46 D 4.8382 8.7387 127.1368 51.9958 41.2315 177.1818 47 V 3.6671 8.3845 117.6014 64.6668 31.2097 176.4073 48 D 4.6882 8.2591 118.4140 53.8734 40.6971 176.0950 49 N 4.3242 8.2428 114.4829 53.9877 36.6550 174.1291 50 K 4.5121 8.2057 118.0557 54.2425 33.8213 176.0229 51 L 4.3698 8.3284 124.1426 55.6252 42.6873 176.2993 52 T 4.7316 9.7933 119.6579 59.9377 71.0499 172.4416 53 G 3.7109 9.3752 115.3985 45.4343 0.0000 170.3558 54 G 3.5487 7.0185 111.8129 43.4293 0.0000 170.9949 55 P 4.4589 0.0000 0.0000 62.7450 32.0618 177.1288 56 I 3.1915 8.0255 121.0807 63.6092 37.5597 178.0244 57 Q 3.7558 7.8213 119.9942 58.8715 28.8110 178.3488 58 G 3.3814 7.8159 106.9129 47.2392 0.0000 175.5780 59 L 3.6233 7.3531 122.5512 58.0508 42.0338 179.0354 60 F 4.3709 7.3611 117.1683 60.7574 38.7724 177.2443 61 D 4.3263 8.3688 118.7876 57.2223 40.5499 179.0058 62 V 3.4340 7.4302 118.1638 65.9500 30.6736 178.0527 63 I 3.2497 7.4682 119.4866 64.5750 36.7473 178.2819 64 D 4.5081 8.2649 118.5229 56.5802 40.7468 177.6292 65 N 4.8070 8.2738 115.0329 53.0928 39.9183 175.5796 66 V 4.2358 7.6756 117.9865 64.2679 33.2747 176.2568 67 F 4.6061 7.5321 113.3372 57.8573 39.3365 174.1076 68 H 5.1698 8.1580 119.2493 53.0383 31.9006 172.2807 69 P 4.4043 0.0000 0.0000 63.7269 31.9478 176.9784 70 S 4.7381 9.2136 120.0665 55.5125 62.6822 172.8872 71 P 4.2104 0.0000 0.0000 65.2301 31.4799 178.0348 72 E 4.3141 8.0356 115.6717 56.0219 29.7649 176.0031 73 A 4.5448 7.6689 121.7609 51.7441 19.2827 177.6887 74 K 4.6498 9.0057 119.8320 54.6389 36.1109 175.3444 75 A 5.3819 8.8665 125.8717 50.0149 22.1262 175.1270 76 A 4.5491 9.2445 121.9420 50.3230 22.1044 175.9134 77 I 4.3775 8.6025 124.2684 60.3127 35.5933 175.5084 78 A 4.2438 8.7525 129.1552 54.7793 19.2659 177.9092 79 R 4.6527 7.6690 113.1522 55.5186 33.8051 174.0606 80 I 4.9934 8.5387 125.9169 59.8377 40.4336 174.1906 81 D 5.1256 9.1469 128.0099 52.1600 42.7876 175.7766 82 I 4.7735 8.5865 123.4072 59.4591 40.5016 175.2855 83 V 4.3337 9.0171 126.8649 61.4232 34.4613 177.3594 84 G 3.9609 8.8776 119.4582 47.1998 0.0000 173.6881 85 T 3.9981 8.9285 116.5640 61.6791 69.7491 173.6538 86 A 5.6148 8.2611 124.4698 50.6979 22.4583 175.0974 87 A 5.0244 9.0542 120.2534 50.8727 23.3168 175.2858 88 S 5.3257 9.1305 114.0056 56.5444 66.0523 172.8532 89 A 5.3239 9.2233 126.3487 50.3038 23.1027 174.6763 90 R 5.1408 9.0816 120.7303 54.5919 33.1979 174.5849 91 I 5.1133 8.9066 126.6366 59.7241 40.8535 173.9411 92 D 5.4881 9.1669 127.1616 53.0735 43.3677 175.6505 93 T 5.1585 9.0006 119.0277 62.0029 72.5070 172.5796 94 D 5.0820 9.2024 126.2210 52.9893 43.8591 176.2643 95 D 4.0492 8.3772 119.7065 55.6224 38.2031 174.1458 96 I 4.1595 7.7668 120.0642 59.9067 38.5021 174.7939 97 S 3.6129 9.9071 124.8727 59.0780 61.0791 173.1888 98 G 3.6293 8.3674 105.0819 44.6143 0.0000 173.6216 99 F 4.8225 7.8434 118.4463 55.4802 42.5583 174.5881 100 R 4.9241 8.0434 119.9004 54.7452 32.9981 173.9196 101 F 5.6831 9.1668 124.3824 56.0823 43.1898 174.1649 102 T 5.0869 8.9985 117.7568 61.9841 71.2065 172.9499 103 D 5.3595 9.1952 126.1194 52.3984 44.3006 174.9946 104 F 5.4453 8.9822 121.3789 55.7193 42.1973 174.2476 105 F 5.2733 9.7240 122.1268 55.7398 42.2770 173.9383 106 N 5.4453 9.2182 120.5142 51.6463 40.8487 173.9061 107 L 5.4676 9.3161 123.4134 53.0004 46.0237 175.5816 108 L 5.3702 8.9901 120.6860 53.0183 46.2218 176.0210 109 K 3.8391 8.3812 124.2301 54.8711 32.1267 175.4507 110 V 4.0519 8.3722 128.1333 61.9621 32.9961 175.8366 111 E 3.8399 9.8482 128.2138 57.4492 26.9223 175.8721 112 G 3.8956 8.3291 105.4014 44.8592 0.0000 173.4532 113 K 4.5788 7.6347 119.3540 53.8845 35.4871 175.8576 114 W 4.6724 8.7653 125.0450 57.2085 29.9066 175.5314 115 T 4.8095 8.9470 117.8891 60.4433 71.0358 172.6728 116 V 4.3686 8.9009 128.7933 63.0313 32.4302 176.5822 117 V 4.3974 8.9272 120.1001 61.7507 34.1048 175.5709 118 S 5.0504 7.9415 115.0859 56.9590 66.0179 172.5448 119 K 4.8426 9.2043 128.8123 54.4406 34.8714 174.7377 120 I 5.7007 8.7686 119.8707 58.6743 41.2898 173.4937 121 Y 5.3525 7.7986 118.7244 56.1565 40.9912 173.2920 122 H 4.9772 9.5784 121.0264 54.8091 32.9092 172.4560 123 T 4.8705 8.4957 122.3343 62.7641 69.3004 174.5327 124 H 4.7143 9.1053 124.8984 54.1178 29.9196 173.8712 125 P 4.3273 0.0000 0.0000 63.5471 31.7075 177.2717 126 S 4.2593 8.5148 115.3451 58.5403 62.2009 174.0679 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 3 N 8.41 4.76 0.00 2.76 2.68 0.00 0.00 6.60 6.83 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 4 T 8.20 4.67 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 1.25 0.00 0.00 5 T 9.39 4.51 4.33 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 1.26 0.00 0.00 6 Y 8.50 3.89 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 7 V 7.97 3.76 2.14 0.00 0.00 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 0.97 0.00 0.00 8 Q 8.16 4.04 0.00 2.39 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 9 E 8.33 4.11 0.00 1.98 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 2.62 2.59 0.00 10 Y 8.36 3.71 0.00 2.89 3.12 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 11 H 8.74 4.05 0.00 3.44 3.52 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.02 4.01 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 13 I 7.47 3.36 1.26 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 -0.36 0.45 0.00 0.00 14 V 7.52 3.32 1.75 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 0.80 0.00 0.00 0.17 0.00 0.00 15 E 7.72 3.84 0.00 2.15 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 2.32 2.20 0.00 16 V 7.47 3.64 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 0.82 0.00 0.00 1.04 0.00 0.00 17 L 8.06 3.77 0.00 1.44 1.43 0.56 -0.17 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 18 S 8.45 4.10 0.00 3.85 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 19 K 7.93 3.95 0.00 2.04 2.04 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.61 7.81 20 Y 7.99 4.21 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 21 N 8.26 4.19 0.00 2.91 2.85 0.00 0.00 6.75 6.97 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 22 E 8.54 4.01 0.00 2.08 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 2.31 0.00 23 G 8.45 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 0.00 0.00 0.00 24 G 7.95 3.52 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 25 K 8.13 4.04 0.00 1.96 1.95 0.00 1.62 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.62 7.81 26 K 8.20 4.26 0.00 1.83 1.83 0.00 1.90 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.43 1.56 7.81 27 A 7.68 3.75 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 28 D 8.34 4.62 0.00 2.61 2.49 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 29 S 9.21 4.18 0.00 3.70 4.13 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 0.00 0.00 0.00 30 T 7.81 3.82 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 1.16 0.00 0.00 31 I 7.29 3.91 1.95 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 1.16 0.61 0.96 0.00 0.00 *33 R 8.02 4.19 0.00 1.30 1.74 0.00 3.06 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 34 P 0.00 4.38 0.00 2.09 2.11 0.00 3.90 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 2.02 2.07 0.00 35 A 8.13 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 F 7.92 5.30 0.00 3.32 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 37 S 8.88 4.35 0.00 3.91 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 38 S 8.73 4.24 0.00 4.05 4.04 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 39 Q 8.11 4.21 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 40 A 8.24 5.01 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.46 4.86 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 1.24 0.00 0.00 42 I 8.19 4.96 1.58 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.49 0.60 0.00 0.00 43 F 9.10 5.37 0.00 2.90 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 44 G 8.89 3.54 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 0.00 0.00 0.00 45 V 8.02 4.79 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 0.91 0.00 0.00 0.88 0.00 0.00 46 D 8.74 4.84 0.00 2.98 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 47 V 8.38 3.67 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 0.78 0.00 0.00 0.96 0.00 0.00 48 D 8.26 4.69 0.00 2.81 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 49 N 8.24 4.32 0.00 2.90 2.94 0.00 0.00 6.81 7.21 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 50 K 8.21 4.51 0.00 2.12 1.71 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.54 7.81 51 L 8.33 4.37 0.00 1.52 1.56 0.80 0.49 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 52 T 9.79 4.73 4.29 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 0.00 0.00 0.00 1.33 0.00 0.00 53 G 9.38 3.71 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 0.00 0.00 0.00 54 G 7.02 3.55 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 0.00 0.00 0.00 55 P 0.00 4.46 0.00 2.05 1.90 0.00 3.48 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 56 I 8.03 3.19 1.53 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 -0.36 0.59 0.00 0.00 57 Q 7.82 3.76 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 58 G 7.82 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.35 3.62 0.00 1.35 1.15 0.65 0.70 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 60 F 7.36 4.37 0.00 3.11 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 61 D 8.37 4.33 0.00 2.74 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 62 V 7.43 3.43 1.87 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 0.49 0.00 0.00 0.77 0.00 0.00 63 I 7.47 3.25 1.92 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.85 0.89 0.00 0.00 64 D 8.26 4.51 0.00 2.69 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 65 N 8.27 4.81 0.00 2.76 2.85 0.00 0.00 6.79 7.35 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 66 V 7.68 4.24 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 1.05 0.00 0.00 0.97 0.00 0.00 67 F 7.53 4.61 0.00 3.15 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 68 H 8.16 5.17 0.00 3.03 3.18 0.00 5.68 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.40 0.00 1.95 2.03 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.32 0.00 70 S 9.21 4.74 0.00 3.69 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 71 P 0.00 4.21 0.00 2.17 2.19 0.00 3.81 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 72 E 8.04 4.31 0.00 1.96 2.01 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 2.26 2.22 0.00 73 A 7.67 4.54 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 74 K 9.01 4.65 0.00 1.70 1.68 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.54 7.81 75 A 8.87 5.38 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 76 A 9.24 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 I 8.60 4.38 1.88 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.58 0.83 0.00 0.00 78 A 8.75 4.24 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 79 R 7.67 4.65 0.00 1.96 1.84 0.00 3.46 0.00 0.00 3.42 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 80 I 8.54 4.99 1.95 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.77 0.67 0.00 0.00 81 D 9.15 5.13 0.00 2.69 2.65 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 82 I 8.59 4.77 1.33 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.23 0.78 0.00 0.00 83 V 9.02 4.33 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 1.04 0.00 0.00 1.02 0.00 0.00 84 G 8.88 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 85 T 8.93 4.00 4.10 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 1.13 0.00 0.00 86 A 8.26 5.61 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 87 A 9.05 5.02 0.79 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 0.00 0.00 88 S 9.13 5.33 0.00 3.91 3.71 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 89 A 9.22 5.32 1.13 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 0.00 0.00 0.00 0.00 0.00 90 R 9.08 5.14 0.00 2.14 1.88 0.00 3.24 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.18 0.00 91 I 8.91 5.11 2.20 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.60 1.17 0.00 0.00 92 D 9.17 5.49 0.00 2.69 2.60 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 93 T 9.00 5.16 4.50 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 1.38 0.00 0.00 94 D 9.20 5.08 0.00 2.57 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 95 D 8.38 4.05 0.00 2.85 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 96 I 7.77 4.16 1.97 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.76 1.31 0.00 0.00 97 S 9.91 3.61 0.00 3.32 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 98 G 8.37 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 99 F 7.84 4.82 0.00 2.69 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 0.00 0.00 0.00 0.00 100 R 8.04 4.92 0.00 1.76 1.66 0.00 2.98 0.00 0.00 3.44 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.86 0.00 101 F 9.17 5.68 0.00 3.11 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 0.00 102 T 9.00 5.09 4.29 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 0.00 0.00 0.00 0.84 0.00 0.00 103 D 9.20 5.36 0.00 2.72 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 0.00 0.00 0.00 104 F 8.98 5.45 0.00 2.85 2.83 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 0.00 105 F 9.72 5.27 0.00 2.92 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 0.00 106 N 9.22 5.45 0.00 2.69 2.79 0.00 0.00 6.58 7.51 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 0.00 107 L 9.32 5.47 0.00 1.67 1.86 0.83 0.24 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 0.00 108 L 8.99 5.37 0.00 1.57 1.46 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.38 3.84 0.00 0.79 0.96 0.00 1.10 0.00 0.00 1.22 0.00 0.00 2.67 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.77 0.21 7.81 110 V 8.37 4.05 2.01 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 0.89 0.00 0.00 0.87 0.00 0.00 111 E 9.85 3.84 0.00 2.04 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 2.19 2.24 0.00 112 G 8.33 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 0.00 0.00 0.00 113 K 7.63 4.58 0.00 1.59 1.65 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.50 7.81 114 W 8.77 4.67 0.00 3.12 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 0.00 115 T 8.95 4.81 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 0.00 116 V 8.90 4.37 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 1.29 0.00 0.00 0.56 0.00 0.00 117 V 8.93 4.40 2.15 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 0.80 0.00 0.00 1.05 0.00 0.00 118 S 7.94 5.05 0.00 3.94 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 0.00 119 K 9.20 4.84 0.00 1.72 1.50 0.00 1.40 0.00 0.00 1.58 0.00 0.00 2.76 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.96 0.21 7.81 120 I 8.77 5.70 1.90 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 1.00 1.32 0.98 0.00 0.00 121 Y 7.80 5.35 0.00 3.00 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 0.00 122 H 9.58 4.98 0.00 3.26 3.22 0.00 5.76 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 8.50 4.87 4.33 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 1.17 0.00 0.00 124 H 9.11 4.71 0.00 3.09 3.24 0.00 5.67 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.33 0.00 2.19 2.09 0.00 3.87 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 126 S 8.51 4.26 0.00 3.65 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 * Residues marked with a * may have inaccurate shift predictions.