NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3731 8.2601 123.5811 51.7401 21.5437 178.2772 2 A 4.0168 7.9969 128.3074 51.7124 17.7595 177.2623 3 K 3.5716 10.0009 122.5394 56.6127 29.1884 171.2250 4 I 3.5755 7.8442 121.1163 60.2997 37.7676 172.9003 5 R 4.4029 8.5267 125.0966 55.1871 32.2265 172.8154 6 R 4.0275 8.5728 113.8288 58.1867 29.2311 175.4661 7 D 4.6386 9.0231 121.5172 55.2733 40.0061 174.0911 8 D 4.7354 7.6609 118.6504 51.8704 39.6946 175.7753 9 E 4.5585 8.2624 121.8833 56.5127 31.4375 176.1651 10 V 4.9280 7.9735 113.3025 61.0496 36.6550 172.4520 11 I 4.8584 8.9961 121.9602 59.6856 41.7396 175.4471 12 V 5.1755 8.0894 124.0786 60.8928 31.8697 176.2368 13 L 3.9980 8.8635 130.9840 57.4705 42.3277 177.2301 14 T 4.4497 7.5121 106.1722 60.5803 71.6079 170.6298 15 G 3.5767 8.6827 117.0763 46.1241 0.0000 174.3070 16 K 3.9733 9.2280 124.9958 56.7417 31.7465 176.4112 17 D 4.5973 8.2318 114.1043 55.5881 43.9287 174.6187 18 K 4.7219 7.4940 117.1060 57.3825 32.6488 176.8547 19 G 4.1696 8.8579 110.1762 45.7205 0.0000 174.6563 20 K 4.1015 7.5436 118.9163 55.8792 32.3858 177.3876 21 R 4.2904 8.5306 123.0642 56.7557 30.8398 177.3836 22 G 4.1056 8.4064 108.4932 43.7576 0.0000 173.3005 23 K 4.1984 8.2818 125.1308 57.1147 34.3711 182.1536 24 V 3.2952 6.6643 110.1124 60.8741 36.0528 176.6994 25 K 4.7277 9.6457 112.3839 57.4843 31.3985 176.4230 26 N 4.7942 9.6069 113.4034 55.0979 34.7687 173.8168 27 V 5.1614 7.0723 109.6226 59.0127 36.6176 175.4842 28 L 4.7224 8.1360 123.6816 53.8821 44.2772 174.7850 29 S 4.5006 8.7190 115.4366 58.9640 64.0292 175.2042 30 S 3.5964 8.6898 121.0094 57.8402 60.0162 170.0344 31 G 3.9949 7.1238 108.0773 44.4408 0.0000 171.0543 32 K 4.2352 8.0616 119.3760 56.3186 32.7917 176.3029 33 V 4.6739 7.8893 118.6340 61.8021 34.4046 173.5986 34 I 4.7381 8.6088 119.1253 58.3936 40.7776 173.5491 35 V 4.9554 8.1309 127.6718 61.0539 32.0322 172.0180 36 E 4.5268 8.4597 129.0125 55.5952 29.1547 177.6547 37 G 3.5846 10.9079 108.2430 48.3223 0.0000 177.4650 38 I 4.1789 8.0848 117.9571 61.4138 41.5682 174.2710 39 N 4.7330 8.4948 126.5860 53.3571 42.0962 176.7675 40 L 4.5451 9.2176 116.6516 57.0586 44.4279 173.0939 41 V 4.9276 7.4486 128.8393 62.4921 32.6340 171.5883 42 K 4.4782 8.4540 123.1210 55.4181 33.4830 173.0120 43 K 4.2444 7.3376 118.9545 55.2553 32.9478 175.3119 44 H 4.8567 8.6542 120.6290 53.9394 30.8560 173.9971 45 Q 4.5694 8.4410 124.6349 55.3719 30.0481 174.7054 46 K 4.7110 8.4694 121.5291 54.0315 35.1947 175.9601 47 P 4.5547 0.0000 0.0000 62.7529 32.1580 175.8379 48 V 4.7214 7.8758 113.2725 62.4502 31.2685 175.2187 49 P 4.4705 0.0000 0.0000 63.0818 32.1969 176.9356 50 A 4.9617 7.7790 125.6842 56.0483 22.1035 176.9775 51 L 3.5849 7.1892 120.8902 55.2156 41.0148 175.5546 52 N 4.1167 7.3772 117.9648 55.7884 39.1095 175.5322 53 Q 4.2018 7.9188 119.4873 54.8798 28.3087 173.2237 54 P 4.3753 0.0000 0.0000 61.7425 32.4874 173.3265 55 G 3.7481 8.3891 111.9310 45.9506 0.0000 174.4411 56 G 4.0884 8.0149 115.2839 44.1423 0.0000 172.3185 57 I 4.2127 7.5185 117.9940 59.8472 38.7666 174.0602 58 V 4.3628 8.0567 119.9868 61.3038 33.9628 175.5291 59 E 4.7068 8.4398 120.3053 54.7719 33.6219 174.7928 60 K 4.1884 8.9084 123.3401 57.9540 34.3089 176.3918 61 E 4.4063 7.8629 121.9026 53.4930 30.0280 174.1975 62 A 4.3589 8.4007 125.9261 51.0757 20.9818 175.7648 63 A 4.3000 8.6102 129.5614 51.1729 17.1638 176.6818 64 I 3.1699 9.0112 128.7188 62.1532 37.1752 172.8358 65 Q 4.6223 8.2539 123.0957 54.2453 33.0898 179.5057 66 V 2.3237 9.2832 114.0521 61.6850 34.4863 179.5110 67 S 3.7395 8.4862 105.9478 57.2072 60.2256 171.6891 68 N 4.5873 6.8052 131.3062 52.7762 45.7800 173.6010 69 V 4.4718 8.2494 106.7338 60.4670 36.9971 171.1570 70 A 4.7652 8.9149 126.1785 51.7707 19.3271 176.4145 71 I 3.6496 8.3666 123.7608 59.5974 39.8693 174.3596 72 F 5.5547 8.6072 127.7103 57.8607 42.3447 173.4965 73 N 4.7072 7.7638 121.8409 52.3195 38.9961 174.1709 74 A 4.0203 6.8061 124.1787 50.6366 21.5653 175.4744 75 A 3.9823 8.8457 117.5704 54.7205 17.9591 178.3994 76 T 4.4855 8.6692 102.1087 60.7655 73.5724 171.5276 77 G 3.9026 9.6300 116.5946 43.0813 0.0000 171.1816 78 K 3.8712 9.2441 123.8618 55.5664 32.6691 175.5473 79 A 4.2633 8.5807 127.2857 51.6030 18.2854 176.7383 80 D 4.6920 8.2083 124.7640 53.6522 40.1019 177.7272 81 R 4.2060 7.8475 120.4525 56.6170 29.5277 176.0668 82 V 4.3727 7.9252 121.2861 61.4815 34.7823 174.6390 83 G 3.9785 8.2464 111.6269 44.5855 0.0000 171.9834 84 F 4.7165 8.7440 129.6834 56.9038 41.9521 173.5301 85 R 4.6559 8.8026 117.7631 56.1189 33.8477 174.8223 86 F 3.8400 8.7169 113.6896 58.4860 36.9343 174.8196 87 E 4.7892 8.2197 119.2469 54.3863 33.5932 179.5751 88 D 4.0003 9.4086 118.2947 53.7470 41.4964 173.5686 89 G 3.7123 8.9974 117.5215 45.9498 0.0000 175.7991 90 K 4.1054 7.7341 118.2259 57.0976 32.4998 176.4097 91 K 4.3920 7.5935 116.7382 56.0264 35.9082 175.1449 92 V 3.8648 8.0308 121.1659 62.4668 32.1438 177.2214 93 R 4.2409 8.1049 118.4051 55.3523 28.1816 177.6077 94 F 4.6351 7.8612 125.7916 56.4939 38.5164 176.4831 95 F 4.2581 8.9506 120.1114 57.6514 41.2966 171.9836 96 K 4.5333 8.5996 125.5653 56.2591 34.7598 173.2783 97 S 4.6280 10.5200 121.4766 56.5995 59.0319 170.2544 98 N 4.8886 9.0132 114.6529 52.3991 40.8595 172.9408 99 S 4.5909 8.9609 108.3261 57.5310 62.8135 167.7387 100 E 4.5589 7.8661 121.2599 55.8066 33.7702 179.3887 101 T 4.6207 8.2712 121.1191 62.0041 67.7110 175.9735 102 I 4.4435 8.4018 119.5490 61.5105 40.8383 174.7547 *103 K 4.1330 8.0077 125.5710 55.4656 32.2370 180.8873 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 4.37 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 2 A 8.00 4.02 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 3 K 10.00 3.57 0.00 1.90 1.86 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.41 7.81 4 I 7.84 3.58 1.85 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 1.26 0.53 0.90 0.00 0.00 5 R 8.53 4.40 0.00 1.78 1.75 0.00 3.19 0.00 0.00 3.39 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 6 R 8.57 4.03 0.00 1.96 1.96 0.00 3.19 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 7 D 9.02 4.64 0.00 2.77 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 8 D 7.66 4.74 0.00 2.71 2.61 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 9 E 8.26 4.56 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 2.44 2.27 0.00 10 V 7.97 4.93 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 0.85 0.00 0.00 1.02 0.00 0.00 11 I 9.00 4.86 1.91 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 1.16 1.84 0.93 0.00 0.00 12 V 8.09 5.18 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 1.11 0.00 0.00 0.99 0.00 0.00 13 L 8.86 4.00 0.00 1.82 1.68 1.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 14 T 7.51 4.45 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 1.21 0.00 0.00 15 G 8.68 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.23 3.97 0.00 1.88 1.95 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.31 1.47 7.81 17 D 8.23 4.60 0.00 2.77 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 18 K 7.49 4.72 0.00 1.86 1.76 0.00 2.04 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.44 7.81 19 G 8.86 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 0.00 0.00 0.00 20 K 7.54 4.10 0.00 1.89 1.78 0.00 1.95 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.52 7.81 21 R 8.53 4.29 0.00 1.81 1.88 0.00 3.36 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 22 G 8.41 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 0.00 0.00 0.00 23 K 8.28 4.20 0.00 1.84 1.70 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.44 7.81 24 V 6.66 3.30 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 0.90 0.00 0.00 0.93 0.00 0.00 25 K 9.65 4.73 0.00 1.83 1.96 0.00 1.96 0.00 0.00 2.61 0.00 0.00 3.49 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.38 1.30 7.81 26 N 9.61 4.79 0.00 2.74 3.21 0.00 0.00 6.50 7.68 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 27 V 7.07 5.16 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 0.59 0.00 0.00 0.92 0.00 0.00 28 L 8.14 4.72 0.00 1.54 1.52 0.90 0.85 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 29 S 8.72 4.50 0.00 3.81 3.75 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 30 S 8.69 3.60 0.00 3.96 3.80 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 31 G 7.12 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 32 K 8.06 4.24 0.00 2.02 1.78 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.53 1.43 7.81 33 V 7.89 4.67 2.22 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 0.85 0.00 0.00 0.92 0.00 0.00 34 I 8.61 4.74 1.92 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.73 0.95 0.00 0.00 35 V 8.13 4.96 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 0.72 0.00 0.00 0.91 0.00 0.00 36 E 8.46 4.53 0.00 1.95 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 2.30 2.33 0.00 37 G 10.91 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.08 4.18 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.64 0.91 0.00 0.00 39 N 8.49 4.73 0.00 2.79 2.64 0.00 0.00 6.37 7.79 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 40 L 9.22 4.55 0.00 1.90 1.83 0.97 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.45 4.93 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 0.94 0.00 0.00 42 K 8.45 4.48 0.00 1.64 1.63 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.24 1.39 7.81 43 K 7.34 4.24 0.00 1.78 1.72 0.00 1.85 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.47 7.81 44 H 8.65 4.86 0.00 3.08 3.22 0.00 5.89 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.44 4.57 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.80 0.00 0.00 0.00 0.00 0.00 2.56 2.32 0.00 46 K 8.47 4.71 0.00 1.74 1.63 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.45 7.81 47 P 0.00 4.55 0.00 2.17 2.02 0.00 3.54 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 48 V 7.88 4.72 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 1.09 0.00 0.00 0.93 0.00 0.00 49 P 0.00 4.47 0.00 2.15 2.07 0.00 4.05 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.08 0.00 50 A 7.78 4.96 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 51 L 7.19 3.58 0.00 1.81 1.81 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 52 N 7.38 4.12 0.00 3.01 2.91 0.00 0.00 6.78 7.57 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 53 Q 7.92 4.20 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 54 P 0.00 4.38 0.00 2.19 2.15 0.00 3.71 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.13 0.00 55 G 8.39 3.75 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 0.00 0.00 0.00 56 G 8.01 4.09 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 0.00 0.00 0.00 57 I 7.52 4.21 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.27 0.96 0.00 0.00 58 V 8.06 4.36 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 0.77 0.00 0.00 0.94 0.00 0.00 59 E 8.44 4.71 0.00 1.93 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 0.00 2.26 2.27 0.00 60 K 8.91 4.19 0.00 1.83 1.85 0.00 1.42 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.24 1.44 7.81 61 E 7.86 4.41 0.00 1.92 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 2.18 2.24 0.00 62 A 8.40 4.36 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 63 A 8.61 4.30 1.03 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 64 I 9.01 3.17 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.73 0.91 0.00 0.00 65 Q 8.25 4.62 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.48 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 66 V 9.28 2.32 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 0.69 0.00 0.00 0.91 0.00 0.00 67 S 8.49 3.74 0.00 4.09 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 68 N 6.81 4.59 0.00 3.12 2.43 0.00 0.00 6.92 7.71 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 69 V 8.25 4.47 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 0.54 0.00 0.00 1.02 0.00 0.00 70 A 8.91 4.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.37 3.65 1.91 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.18 1.08 0.00 0.00 72 F 8.61 5.55 0.00 3.05 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 N 7.76 4.71 0.00 2.31 2.57 0.00 0.00 6.67 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 74 A 6.81 4.02 0.90 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 75 A 8.85 3.98 1.26 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 0.00 0.00 0.00 76 T 8.67 4.49 4.30 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 1.25 0.00 0.00 77 G 9.63 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 78 K 9.24 3.87 0.00 1.90 1.98 0.00 1.94 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.59 1.68 7.81 79 A 8.58 4.26 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 80 D 8.21 4.69 0.00 2.48 2.25 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 81 R 7.85 4.21 0.00 1.77 1.92 0.00 3.20 0.00 0.00 3.11 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 82 V 7.93 4.37 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 0.23 0.00 0.00 1.10 0.00 0.00 83 G 8.25 3.98 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 0.00 84 F 8.74 4.72 0.00 3.28 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 85 R 8.80 4.66 0.00 2.39 1.99 0.00 3.33 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 86 F 8.72 3.84 0.00 3.18 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 87 E 8.22 4.79 0.00 2.07 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 0.00 2.30 2.75 0.00 88 D 9.41 4.00 0.00 2.77 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 89 G 9.00 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 90 K 7.73 4.11 0.00 1.88 1.95 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.48 7.81 91 K 7.59 4.39 0.00 1.74 1.72 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.31 7.81 92 V 8.03 3.86 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 1.25 0.00 0.00 93 R 8.10 4.24 0.00 1.96 2.30 0.00 3.29 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 94 F 7.86 4.64 0.00 3.11 2.39 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 95 F 8.95 4.26 0.00 3.20 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 96 K 8.60 4.53 0.00 2.00 1.65 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.57 7.81 97 S 10.52 4.63 0.00 4.18 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 98 N 9.01 4.89 0.00 3.21 3.30 0.00 0.00 6.10 7.64 0.00 0.00 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 8.96 4.59 0.00 3.77 3.75 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 0.00 100 E 7.87 4.56 0.00 1.78 1.12 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 1.83 1.91 0.00 101 T 8.27 4.62 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 1.19 0.00 0.00 102 I 8.40 4.44 1.96 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 1.34 0.93 0.94 0.00 0.00 *103 K 8.01 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.