NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.0611 8.2644 123.5843 51.8497 19.6833 174.6129 2 K 3.5352 7.9860 130.4583 55.1630 32.1509 173.7153 3 Q 3.9828 8.7692 128.8817 59.1803 29.8583 177.5245 4 S 4.0430 7.9535 113.6491 61.7056 62.4864 175.5477 5 M 4.2847 7.9076 117.6805 56.4856 31.8618 177.2361 6 K 4.2598 7.5682 120.0039 58.2691 33.0698 177.8254 7 A 3.9921 8.3902 121.3950 55.2179 18.1730 179.4742 8 R 3.8691 7.9808 116.5421 59.6817 30.1051 178.3070 9 E 3.8380 7.8830 118.6936 59.4664 29.5616 178.7874 10 V 3.5389 7.8284 117.4034 66.1024 31.3887 177.7820 11 K 3.8792 7.7702 118.9186 59.8054 32.0252 178.8605 12 R 3.9631 8.1480 118.3995 59.2051 29.6604 179.3457 13 V 3.6518 7.9470 117.3503 65.7179 31.8235 177.5088 14 A 4.1777 8.3504 120.9084 55.4438 18.2629 179.6539 15 L 4.1245 8.2746 117.3856 57.7395 41.3708 179.1836 16 A 4.2986 7.3718 115.8032 52.5532 18.0860 177.5719 17 D 4.9862 7.9056 117.7774 54.5390 41.9901 177.0601 18 K 4.0906 8.1698 119.3577 59.6242 32.4780 177.2666 19 Y 4.2674 8.3751 115.3574 59.9205 39.0277 176.6333 20 F 4.3891 8.0621 117.4444 57.5018 39.7309 177.3301 21 A 4.1452 8.6760 122.1028 53.2348 19.1452 177.9473 22 K 4.4039 8.0098 112.8653 56.3577 30.5740 178.5595 23 R 4.0402 7.6495 118.6395 57.4617 29.7298 176.9382 24 A 4.2708 7.4565 120.1168 51.5485 19.2609 177.8233 25 E 4.1040 8.2036 116.7930 59.0703 30.2079 177.3154 26 L 4.6015 7.0128 120.7046 52.6231 39.4554 174.5803 27 K 4.3838 7.5946 120.4223 56.1677 38.5883 177.7862 28 A 3.9844 7.4282 122.1804 53.5326 17.8042 178.9924 29 I 3.6340 8.3369 118.5299 63.8186 37.7699 178.0334 30 I 4.0169 7.8192 118.6756 63.4428 36.9055 176.7854 31 S 4.6276 7.9499 114.0509 57.7964 63.9176 172.4813 32 D 4.7701 7.6193 118.9134 51.5610 44.1516 173.8735 33 V 3.6634 8.1885 121.6133 63.3045 30.5465 175.1228 34 N 5.2274 8.2992 124.5653 52.6464 41.1817 174.5262 35 A 4.6510 7.4232 126.9951 51.6655 19.2952 179.0784 *40 R 3.9869 8.5342 118.5934 57.5726 30.4203 175.0738 41 W 4.3838 8.3160 118.4621 56.6724 26.9956 176.2218 42 N 4.0583 8.6943 124.2769 55.9601 38.7002 176.2536 43 A 4.2019 7.4500 119.3677 53.9144 17.5460 178.7031 44 V 3.7373 7.1403 110.9953 63.4966 32.3613 176.5306 45 L 4.2709 7.4302 125.7322 55.3491 42.1329 177.9489 46 K 4.5402 7.6734 116.2751 56.5239 35.1728 178.4223 47 L 3.9688 7.5692 117.6848 56.5600 42.6635 176.8618 48 Q 4.3922 7.3133 120.9545 56.4957 27.4236 175.4926 49 T 4.6832 7.3441 103.2320 61.1891 70.3310 174.7856 50 L 4.2160 8.4296 121.0294 55.4128 43.6174 178.7446 51 P 3.8201 0.0000 0.0000 60.6369 33.5025 176.8532 52 R 5.1502 8.7452 135.0000 58.9093 29.5673 175.1110 53 D 3.9903 7.9282 115.7888 56.9733 40.8683 177.1449 54 S 4.3967 7.3023 113.4818 56.7547 60.7341 172.0862 55 S 4.1528 7.4851 121.5249 56.3706 64.9423 176.4268 56 P 5.0485 0.0000 0.0000 65.1814 31.2137 177.6591 57 S 4.3592 7.7947 111.0617 58.5952 63.1002 174.1908 58 R 4.3016 7.4312 120.1858 56.4121 30.6923 176.0320 59 Q 4.2970 7.5821 116.5314 56.1432 30.5341 175.9421 60 R 4.1547 9.4520 118.7414 55.0276 31.3530 174.7854 61 N 3.1400 8.3783 109.8015 52.6093 37.8769 173.8922 62 R 4.2758 7.1981 119.5944 54.5432 32.0788 175.6982 63 C 3.9524 8.9913 121.6924 59.7367 31.2307 174.3304 64 R 3.9997 8.2201 128.8336 58.8345 29.8075 176.9007 65 Q 4.5650 8.1250 114.4875 56.2523 30.9393 176.0273 66 T 4.3102 8.1712 105.8308 63.0068 70.3160 175.6762 67 G 4.0294 8.1435 109.6768 45.0568 0.0000 173.3822 68 R 4.1936 7.9459 120.5575 54.4016 29.4820 175.0992 69 P 4.3629 0.0000 0.0000 63.9898 30.3394 175.3904 70 H 4.8791 8.0407 115.9274 55.0171 32.9606 173.0311 71 G 4.2095 8.7576 106.1406 46.5552 0.0000 173.3352 72 F 4.8442 7.6262 121.2293 57.3013 40.3235 174.5846 73 L 4.8294 7.4069 126.0964 52.7450 44.5566 178.1578 74 R 4.0689 8.8175 122.6116 59.1651 30.0649 177.6679 75 K 3.6044 7.7284 117.6626 59.3156 32.1226 177.2650 76 F 4.3668 7.8152 116.8116 57.2289 39.7055 176.1521 77 G 3.8133 8.1931 109.2292 46.3900 0.0000 173.0772 78 L 4.7410 6.9172 119.7656 53.2701 45.3858 175.4394 79 S 5.6816 8.3830 113.0485 55.4508 66.7465 175.1313 80 R 3.7713 8.6498 120.3013 59.9533 28.6182 178.6765 81 I 3.8901 7.6289 120.0265 64.1383 37.5642 178.1896 82 K 4.1209 7.8161 118.5910 59.4197 31.9202 178.7857 83 V 3.4395 8.4847 120.2472 64.6979 31.4011 177.4619 84 R 3.9708 7.6916 116.5454 59.9812 29.8722 178.1050 85 E 3.8511 8.2316 116.4767 60.0026 29.7660 179.1392 86 A 4.0857 7.9930 119.3636 55.1284 18.3437 179.2842 87 A 3.9760 8.5351 118.9246 54.4036 18.4297 178.5063 88 M 4.4823 7.5430 114.8231 54.9935 32.6017 176.4168 89 R 4.4429 7.8491 117.4257 55.0704 30.7970 176.0212 90 G 3.9869 7.9338 105.1294 46.7855 0.0000 174.7857 91 E 4.1766 8.3192 117.9457 56.9444 29.9048 176.9841 92 I 4.4815 7.3996 120.6074 58.3209 39.4009 172.9566 93 P 4.3740 0.0000 0.0000 64.0494 31.3963 176.3075 94 G 3.9967 8.7250 112.7073 46.5514 0.0000 172.4063 95 L 4.7673 7.5123 120.0550 52.5413 44.0081 175.3551 96 K 4.6092 8.2571 123.1670 55.0093 35.2952 175.6355 97 K 3.9126 8.7137 119.6158 57.0116 32.2382 176.4176 98 A 4.9593 8.6148 126.2793 50.1572 21.9702 175.0043 99 S 4.6771 8.5863 114.4506 56.2224 66.1249 174.1953 100 W 4.8044 7.7036 118.0062 56.9883 27.8676 174.5814 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 A 8.26 4.06 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 2 K 7.99 3.54 0.00 2.05 1.82 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.49 7.81 3 Q 8.77 3.98 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 4 S 7.95 4.04 0.00 3.93 3.83 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 5 M 7.91 4.28 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 6 K 7.57 4.26 0.00 1.82 2.03 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.36 1.43 7.81 7 A 8.39 3.99 1.38 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 8 R 7.98 3.87 0.00 1.87 2.00 0.00 3.14 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.92 0.00 9 E 7.88 3.84 0.00 2.01 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 2.28 2.35 0.00 10 V 7.83 3.54 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 0.96 0.00 0.00 0.99 0.00 0.00 11 K 7.77 3.88 0.00 1.82 1.99 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.48 7.81 12 R 8.15 3.96 0.00 2.01 1.93 0.00 3.13 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 13 V 7.95 3.65 2.19 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 0.81 0.00 0.00 0.90 0.00 0.00 14 A 8.35 4.18 1.37 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 0.00 0.00 0.00 15 L 8.27 4.12 0.00 1.78 1.75 0.88 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.37 4.30 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 17 D 7.91 4.99 0.00 2.77 2.77 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 18 K 8.17 4.09 0.00 2.14 1.99 0.00 1.88 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.54 1.74 7.81 19 Y 8.38 4.27 0.00 3.20 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 20 F 8.06 4.39 0.00 3.07 3.03 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 21 A 8.68 4.15 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 22 K 8.01 4.40 0.00 1.77 1.09 0.00 1.50 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.34 7.81 23 R 7.65 4.04 0.00 1.86 1.89 0.00 3.08 0.00 0.00 3.08 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.49 0.00 24 A 7.46 4.27 -0.04 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 0.00 0.00 25 E 8.20 4.10 0.00 2.16 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 2.49 2.25 0.00 26 L 7.01 4.60 0.00 1.60 1.67 0.92 0.80 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 27 K 7.59 4.38 0.00 1.77 1.80 0.00 1.49 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.48 7.81 28 A 7.43 3.98 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 29 I 8.34 3.63 1.90 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 1.66 1.11 1.01 0.00 0.00 30 I 7.82 4.02 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 1.69 0.44 0.96 0.00 0.00 31 S 7.95 4.63 0.00 3.87 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 32 D 7.62 4.77 0.00 2.63 2.51 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 33 V 8.19 3.66 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 0.86 0.00 0.00 0.92 0.00 0.00 34 N 8.30 5.23 0.00 2.94 2.86 0.00 0.00 6.86 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 35 A 7.42 4.65 1.10 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 0.00 0.00 *40 R 8.53 3.99 0.00 1.51 1.52 0.00 2.21 0.00 0.00 2.68 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 41 W 8.32 4.38 0.00 3.57 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 42 N 8.69 4.06 0.00 2.80 2.87 0.00 0.00 6.98 8.60 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 43 A 7.45 4.20 1.39 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 0.00 0.00 44 V 7.14 3.74 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 1.00 0.00 0.00 0.84 0.00 0.00 45 L 7.43 4.27 0.00 1.56 1.60 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.67 4.54 0.00 1.77 1.76 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.63 1.34 7.81 47 L 7.57 3.97 0.00 1.65 1.70 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 7.31 4.39 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.01 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 49 T 7.34 4.68 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 1.22 0.00 0.00 50 L 8.43 4.22 0.00 1.72 1.57 1.09 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 3.82 0.00 1.87 1.05 0.00 3.28 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.47 0.00 52 R 8.75 5.15 0.00 1.90 1.87 0.00 3.21 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.40 0.00 53 D 7.93 3.99 0.00 2.65 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 54 S 7.30 4.40 0.00 3.59 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 55 S 7.49 4.15 0.00 3.10 3.34 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 56 P 0.00 5.05 0.00 2.20 2.25 0.00 3.47 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.90 0.00 57 S 7.79 4.36 0.00 3.94 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 58 R 7.43 4.30 0.00 1.67 1.94 0.00 3.23 0.00 0.00 3.35 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 59 Q 7.58 4.30 0.00 2.46 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.30 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 60 R 9.45 4.15 0.00 1.67 1.62 0.00 3.20 0.00 0.00 3.15 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.44 0.00 61 N 8.38 3.14 0.00 2.30 1.62 0.00 0.00 6.83 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 R 7.20 4.28 0.00 1.81 1.78 0.00 3.24 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 63 C 8.99 3.95 0.00 3.05 3.13 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 64 R 8.22 4.00 0.00 2.02 2.04 0.00 3.37 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 65 Q 8.12 4.56 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.61 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 66 T 8.17 4.31 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 1.22 0.00 0.00 67 G 8.14 4.03 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 0.00 0.00 0.00 68 R 7.95 4.19 0.00 1.94 1.91 0.00 3.13 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.60 0.00 69 P 0.00 4.36 0.00 2.19 2.12 0.00 3.76 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 70 H 8.04 4.88 0.00 3.19 3.20 0.00 5.77 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.76 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 72 F 7.63 4.84 0.00 3.24 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 73 L 7.41 4.83 0.00 1.66 1.60 1.00 0.88 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 74 R 8.82 4.07 0.00 1.83 2.06 0.00 3.50 0.00 0.00 3.46 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.64 0.00 75 K 7.73 3.60 0.00 1.37 0.92 0.00 1.35 0.00 0.00 1.46 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.69 0.43 7.81 76 F 7.82 4.37 0.00 2.91 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 77 G 8.19 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 78 L 6.92 4.74 0.00 1.55 1.47 0.91 0.84 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 79 S 8.38 5.68 0.00 3.83 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 80 R 8.65 3.77 0.00 2.00 2.23 0.00 2.96 0.00 0.00 3.35 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 81 I 7.63 3.89 1.86 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 0.60 0.90 0.00 0.00 82 K 7.82 4.12 0.00 1.74 1.83 0.00 1.68 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.43 7.81 83 V 8.48 3.44 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 0.36 0.00 0.00 0.70 0.00 0.00 84 R 7.69 3.97 0.00 1.89 2.09 0.00 3.14 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 85 E 8.23 3.85 0.00 1.93 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 0.00 2.53 2.48 0.00 86 A 7.99 4.09 1.36 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 0.00 0.00 87 A 8.54 3.98 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 88 M 7.54 4.48 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.85 0.00 89 R 7.85 4.44 0.00 1.87 1.91 0.00 3.40 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 90 G 7.93 3.99 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 0.00 0.00 0.00 91 E 8.32 4.18 0.00 2.03 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 2.34 2.30 0.00 92 I 7.40 4.48 1.93 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 1.44 1.05 1.22 0.00 0.00 93 P 0.00 4.37 0.00 2.05 2.04 0.00 3.90 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 94 G 8.72 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 0.00 0.00 0.00 95 L 7.51 4.77 0.00 1.69 1.73 1.01 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.26 4.61 0.00 1.85 1.73 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 1.55 7.81 97 K 8.71 3.91 0.00 1.78 1.84 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.46 7.81 98 A 8.61 4.96 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 99 S 8.59 4.68 0.00 3.86 3.69 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 0.00 100 W 7.70 4.80 0.00 3.35 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 * Residues marked with a * may have inaccurate shift predictions.