NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.5587 8.1844 122.7554 55.3220 43.6515 175.6396 3 E 4.4622 8.8239 124.3927 54.1780 33.7988 168.3235 4 V 4.6862 9.7946 128.5954 61.2438 34.3942 173.6806 5 I 4.6089 8.7197 129.2664 59.6285 39.6081 174.6972 6 I 4.8773 8.6012 126.8462 59.4156 40.9768 174.6960 7 K 5.2980 8.7684 124.1478 54.8770 36.9135 175.4433 8 A 5.0655 9.1628 125.9883 50.4433 22.5033 175.9544 9 K 4.6338 9.0122 122.4487 56.9099 34.4155 176.9823 10 V 4.5376 8.7182 121.5219 61.1029 34.0178 175.4450 11 K 3.9469 9.8994 128.5806 55.0029 32.8064 176.5284 12 P 4.1528 0.0000 0.0000 65.9866 31.1497 177.5514 13 T 4.2570 7.5537 104.2454 61.6234 69.2723 174.2982 14 E 4.3194 8.0763 122.4408 55.5140 31.0793 175.1247 15 D 4.7028 8.2228 120.6679 52.4122 42.0487 177.0779 16 K 4.0051 8.4886 127.6065 60.6923 32.1564 178.4578 17 Y 4.3291 8.0888 117.7489 60.6397 37.8760 178.2748 18 K 4.3197 8.4142 119.8062 59.1936 32.1377 179.6102 19 V 3.6950 7.7186 118.3626 65.8067 31.6450 177.7991 20 K 3.2112 8.2018 119.5923 59.2418 31.8380 178.9313 21 K 3.9899 8.2583 118.4809 59.0204 30.9061 179.2442 22 A 4.0434 7.9244 121.0702 54.9782 18.2508 179.8037 23 I 3.7196 7.7064 118.3110 64.7377 37.3309 178.6834 24 L 4.3364 7.9088 119.6177 57.9272 41.1465 179.3923 25 N 4.4029 8.1816 115.5911 55.4917 38.4169 176.4052 26 I 4.0434 6.8484 120.0882 61.0035 39.9705 175.9615 27 F 4.9118 8.1789 117.9873 54.2425 39.0777 173.2752 28 P 4.3455 0.0000 0.0000 64.5693 31.6597 177.7832 29 K 4.2713 7.9778 113.7161 56.3722 32.5063 176.6603 30 A 4.3638 7.9075 122.1321 52.1884 19.2194 177.3468 31 K 4.4603 8.9516 121.8185 55.1701 33.6471 175.7527 32 L 5.5897 8.6779 125.0837 53.1172 44.6704 176.0626 33 T 4.9523 9.5157 112.3355 59.9775 72.2601 172.2181 34 F 4.8153 8.7515 126.4814 56.1615 41.2038 174.4297 35 I 4.2247 7.6569 119.5716 58.8189 40.2739 174.5939 36 E 4.2248 8.3533 124.4114 55.1685 30.2111 176.8015 37 K 4.5624 8.8947 122.8715 56.9116 33.0049 176.2563 38 D 4.9446 8.4909 125.4365 54.5275 43.3613 175.2942 39 N 4.0014 9.4921 116.1888 54.8487 35.9422 175.1516 40 E 3.8850 8.4761 113.0869 56.7791 27.7229 175.1073 41 F 4.5053 8.1693 118.5702 57.5737 40.8342 174.9055 42 G 4.1321 8.8399 106.9251 46.1382 0.0000 170.8664 43 E 5.2562 7.9554 117.9632 55.0115 33.6713 174.1956 44 W 5.3920 9.5172 126.7394 55.3898 31.6514 175.0991 45 E 5.2481 9.3575 123.1959 54.8900 33.5763 175.0451 46 G 4.7259 8.4970 108.4641 47.0365 0.0000 171.8800 47 K 5.4856 7.8814 117.1397 54.9560 37.0441 175.4864 48 T 4.8174 8.1360 114.5191 61.2699 70.7823 173.9333 49 K 4.4226 8.7447 123.4512 55.9689 33.0184 175.9072 50 S 4.7670 8.1719 114.5856 56.7000 64.1291 173.9362 51 V 4.6173 8.2716 119.1292 61.3182 32.5764 177.2023 52 E 3.9489 8.2143 122.0561 59.5552 29.2658 179.1933 53 K 3.8262 7.9832 118.8303 59.4092 32.3289 178.1289 54 L 3.7873 7.7987 120.0030 58.2818 41.8322 178.9553 55 K 4.0072 8.2976 118.3766 59.3940 31.8977 179.2562 56 E 3.9285 8.1085 118.7597 59.4864 29.4254 179.3801 57 L 3.9553 7.9261 118.9464 57.7295 41.6175 179.6151 58 L 4.0199 7.9876 118.9509 57.7239 41.5079 179.8847 59 R 3.8899 7.7974 117.7528 59.3713 29.8798 178.9764 60 S 4.1217 8.3315 113.7764 61.9388 63.0512 176.5280 61 Q 4.1088 8.3427 117.4404 55.4913 29.3431 175.6019 62 S 3.8042 8.0236 114.1835 59.8733 61.3360 171.7465 63 I 4.6521 7.6900 107.9196 60.1186 38.3754 178.0574 64 L 4.0287 8.2348 123.6231 59.0470 41.2424 178.3766 65 D 4.3181 8.0639 117.4259 56.4090 39.3306 178.2001 66 A 4.0801 7.8957 120.5364 54.7573 18.8330 178.8614 67 A 3.5260 8.0610 119.3471 55.0511 18.4186 180.3625 68 R 3.7876 7.9319 113.8199 57.4659 29.9972 178.1814 *70 V 3.8668 7.7246 118.6186 62.3792 33.1531 177.5394 71 L 4.0082 7.8791 118.8994 57.7917 41.6404 178.4530 72 E 4.1020 8.0692 117.4163 59.1194 29.5538 178.3516 73 K 4.0297 8.1598 118.8631 58.7630 32.9547 177.3270 74 G 4.1608 8.0066 109.2860 43.1538 0.0000 172.6470 *76 T 4.5064 7.3609 111.6195 61.7752 70.4338 173.7303 77 E 4.0517 9.0135 120.8008 59.9017 29.6806 178.3242 78 N 5.1109 7.9446 113.1219 52.5731 40.4962 173.2502 79 A 5.0217 7.4474 118.6850 53.1027 22.9159 175.8203 80 T 5.2770 8.3685 110.5888 62.0629 70.6012 172.4325 81 K 5.5815 8.5567 123.8761 54.9981 36.9187 174.3293 82 F 4.7866 7.3308 114.3199 57.2191 40.4539 171.7306 83 Y 5.3823 8.8335 115.6855 56.3189 41.6009 174.9358 84 L 5.2031 8.9088 120.6605 52.7401 45.8892 175.6569 85 N 4.7656 9.6290 123.3252 53.6214 39.6181 175.9863 86 K 4.1219 9.8119 127.9316 59.5805 32.4734 179.1065 87 Q 4.0675 9.0019 118.7912 58.6538 28.6655 178.2579 88 A 4.1081 8.2810 121.2102 55.0963 18.5293 179.3740 89 A 4.1786 8.0668 120.7126 54.8519 18.1797 179.1322 90 Y 4.0684 7.7620 117.1892 60.4159 38.8270 177.2308 91 V 3.9560 7.2538 109.8435 61.1353 31.6722 176.4602 92 G 3.7504 8.0860 106.4670 45.9393 0.0000 173.6226 93 A 4.9130 8.1433 121.1329 49.7121 22.1700 176.3952 94 V 4.1222 9.6279 122.0172 61.4238 32.7892 175.0126 95 N 4.7570 8.1198 125.5949 52.1366 42.1742 174.4548 96 F 5.1561 9.1117 123.0078 57.2788 39.6394 175.0991 97 D 4.8076 7.8619 121.1721 52.0182 40.5058 176.2502 98 I 3.9120 8.2612 124.2182 61.1020 37.7296 175.8963 99 D 4.7413 8.5792 124.9734 52.6320 40.4345 177.1567 100 T 3.9303 8.4965 115.5558 66.6869 68.3787 174.9842 101 H 4.7111 8.4733 116.9821 55.6536 28.7487 175.1572 102 G 4.0071 8.4368 110.5704 44.1837 0.0000 175.7717 103 G 4.0722 8.2119 107.6837 44.8633 0.0000 171.9952 104 I 4.5834 8.6546 119.4564 59.3937 39.6548 175.2400 105 F 4.3349 9.1489 130.8620 57.3517 40.6383 174.2705 106 V 4.2242 8.1841 126.4899 60.5150 34.2462 173.9116 107 K 4.6193 8.1632 128.5414 54.5378 35.1908 174.4755 108 I 4.6326 8.5155 128.8307 59.8093 39.2469 174.5067 109 L 5.0795 9.2626 128.7421 52.9166 43.7092 175.8104 110 A 4.8295 8.7913 126.7949 50.9932 20.0293 177.0662 111 D 4.6551 8.5290 121.2891 51.8587 40.9544 176.9666 112 E 3.9031 8.6981 116.8513 58.7948 29.1672 177.4407 113 N 4.8434 8.7330 115.2781 52.8645 39.3200 174.1005 114 E 4.6460 8.1569 118.2957 54.4721 32.1621 174.7512 115 D 4.8274 8.2302 120.7002 52.3506 42.6856 178.2315 116 I 3.8270 8.2452 128.5050 60.9939 37.7319 177.5205 *118 K 4.3054 8.1759 119.8960 56.0812 34.2543 178.4854 119 I 3.7338 7.6834 119.4036 64.4887 36.9158 178.5349 120 I 3.7358 7.7253 120.5367 64.3558 36.7020 178.7282 121 K 4.0467 7.9338 117.9023 59.3651 31.9797 178.4702 122 D 4.4600 7.9938 117.7657 57.1291 41.2029 178.2006 123 I 4.0813 7.7509 119.3055 62.9488 38.4254 176.7533 124 A 4.6209 7.9100 123.8843 49.2403 18.6760 173.2872 125 P 4.5838 0.0000 0.0000 61.8859 32.5897 176.3601 126 R 4.3362 8.5557 121.8647 57.0088 31.5403 175.1561 127 T 4.7569 8.0869 109.2890 60.8915 72.3214 174.5378 128 K 4.3641 8.6949 121.1871 55.5147 33.1812 176.3443 129 G 3.7972 8.4582 112.2683 45.4895 0.0000 172.9693 130 G 3.9083 8.3386 106.2414 44.8605 0.0000 174.1420 131 V 4.3298 7.0002 119.9872 59.2092 33.0732 175.7923 132 I 4.1123 8.2747 124.9451 61.7673 36.8854 175.0039 133 I 3.9799 7.1370 123.9043 63.5410 37.7327 176.1835 134 N 4.5302 7.8831 124.1697 53.8175 38.4192 175.3288 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 2 L 8.18 4.56 0.00 1.68 1.64 0.95 0.60 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 3 E 8.82 4.46 0.00 2.01 1.68 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 2.15 2.27 0.00 4 V 9.79 4.69 1.88 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 0.31 0.00 0.00 0.92 0.00 0.00 5 I 8.72 4.61 1.59 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 1.07 0.74 0.79 0.00 0.00 6 I 8.60 4.88 1.74 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.52 0.88 0.00 0.00 7 K 8.77 5.30 0.00 1.88 1.75 0.00 1.88 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.38 7.81 8 A 9.16 5.07 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 9 K 9.01 4.63 0.00 1.94 1.95 0.00 1.76 0.00 0.00 1.86 0.00 0.00 2.77 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.57 7.81 10 V 8.72 4.54 2.30 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 0.99 0.00 0.00 1.22 0.00 0.00 11 K 9.90 3.95 0.00 1.80 1.37 0.00 1.55 0.00 0.00 1.56 0.00 0.00 3.08 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.48 1.55 7.81 12 P 0.00 4.15 0.00 1.79 1.99 0.00 2.73 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.66 0.00 13 T 7.55 4.26 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 1.16 0.00 0.00 14 E 8.08 4.32 0.00 2.20 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 2.28 2.30 0.00 15 D 8.22 4.70 0.00 2.66 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 16 K 8.49 4.01 0.00 1.63 1.63 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.44 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.66 0.21 7.81 17 Y 8.09 4.33 0.00 3.26 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 18 K 8.41 4.32 0.00 1.95 1.73 0.00 1.55 0.00 0.00 1.22 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.51 7.81 19 V 7.72 3.70 2.48 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 1.22 0.00 0.00 1.08 0.00 0.00 20 K 8.20 3.21 0.00 0.79 1.67 0.00 1.13 0.00 0.00 1.50 0.00 0.00 2.75 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.93 0.21 7.81 21 K 8.26 3.99 0.00 1.93 1.77 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.65 7.81 22 A 7.92 4.04 1.53 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 23 I 7.71 3.72 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 1.60 0.72 1.00 0.00 0.00 24 L 7.91 4.34 0.00 1.63 1.68 0.82 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.18 4.40 0.00 2.85 2.78 0.00 0.00 6.92 7.06 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 26 I 6.85 4.04 1.39 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.72 0.26 0.00 0.00 27 F 8.18 4.91 0.00 3.00 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 28 P 0.00 4.35 0.00 2.03 2.12 0.00 3.73 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.21 0.00 29 K 7.98 4.27 0.00 1.77 1.87 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.50 7.81 30 A 7.91 4.36 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 31 K 8.95 4.46 0.00 1.78 1.79 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.48 7.81 32 L 8.68 5.59 0.00 1.54 1.86 0.55 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 33 T 9.52 4.95 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 1.30 0.00 0.00 34 F 8.75 4.82 0.00 1.51 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 0.00 0.00 0.00 0.00 35 I 7.66 4.22 1.64 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.83 0.77 0.00 0.00 36 E 8.35 4.22 0.00 1.79 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 0.00 2.42 2.26 0.00 37 K 8.89 4.56 0.00 1.74 1.41 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.25 7.81 38 D 8.49 4.94 0.00 2.61 2.52 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 39 N 9.49 4.00 0.00 3.09 3.04 0.00 0.00 7.04 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 40 E 8.48 3.89 0.00 2.10 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 0.00 2.22 2.26 0.00 41 F 8.17 4.51 0.00 3.16 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 42 G 8.84 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 0.00 0.00 0.00 43 E 7.96 5.26 0.00 2.00 1.59 0.00 0.00 0.00 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 2.47 0.00 44 W 9.52 5.39 0.00 3.39 3.15 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 45 E 9.36 5.25 0.00 1.89 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 0.00 2.25 2.27 0.00 46 G 8.50 4.73 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 0.00 0.00 0.00 47 K 7.88 5.49 0.00 1.63 1.65 0.00 2.06 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.24 7.81 48 T 8.14 4.82 4.32 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 1.15 0.00 0.00 49 K 8.74 4.42 0.00 1.76 1.80 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.33 7.81 50 S 8.17 4.77 0.00 3.83 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 51 V 8.27 4.62 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 0.91 0.00 0.00 1.00 0.00 0.00 52 E 8.21 3.95 0.00 2.01 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 2.35 0.00 53 K 7.98 3.83 0.00 1.81 1.85 0.00 1.55 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.42 7.81 54 L 7.80 3.79 0.00 1.54 1.86 0.90 0.85 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 55 K 8.30 4.01 0.00 2.00 1.85 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.78 7.81 56 E 8.11 3.93 0.00 2.19 1.96 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 2.31 2.47 0.00 57 L 7.93 3.96 0.00 1.73 1.63 0.79 0.42 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 58 L 7.99 4.02 0.00 1.71 1.74 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 59 R 7.80 3.89 0.00 1.95 1.96 0.00 3.28 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 60 S 8.33 4.12 0.00 3.92 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 61 Q 8.34 4.11 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 62 S 8.02 3.80 0.00 3.97 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 63 I 7.69 4.65 1.95 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 1.30 0.77 0.97 0.00 0.00 64 L 8.23 4.03 0.00 1.71 1.76 0.92 0.99 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 65 D 8.06 4.32 0.00 2.82 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 66 A 7.90 4.08 1.47 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 0.00 0.00 67 A 8.06 3.53 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 68 R 7.93 3.79 0.00 2.07 2.00 0.00 3.13 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 *70 V 7.72 3.87 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 0.65 0.00 0.00 0.52 0.00 0.00 71 L 7.88 4.01 0.00 1.55 1.68 0.83 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.07 4.10 0.00 1.94 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 2.33 2.39 0.00 73 K 8.16 4.03 0.00 1.70 2.01 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.46 7.81 74 G 8.01 4.16 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 0.00 0.00 0.00 *76 T 7.36 4.51 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 1.24 0.00 0.00 77 E 9.01 4.05 0.00 1.95 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 2.30 2.35 0.00 78 N 7.94 5.11 0.00 2.72 2.75 0.00 0.00 6.69 7.88 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 79 A 7.45 5.02 1.18 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 0.00 0.00 80 T 8.37 5.28 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 1.34 0.00 0.00 81 K 8.56 5.58 0.00 1.85 1.77 0.00 2.10 0.00 0.00 1.96 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.67 1.47 7.81 82 F 7.33 4.79 0.00 3.31 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 83 Y 8.83 5.38 0.00 3.16 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 84 L 8.91 5.20 0.00 1.74 1.61 1.17 0.64 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 85 N 9.63 4.77 0.00 3.04 2.72 0.00 0.00 6.74 6.05 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 86 K 9.81 4.12 0.00 2.07 1.99 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.50 1.58 7.81 87 Q 9.00 4.07 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 88 A 8.28 4.11 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 89 A 8.07 4.18 1.51 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 0.00 0.00 90 Y 7.76 4.07 0.00 3.12 3.23 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 91 V 7.25 3.96 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 0.81 0.00 0.00 1.05 0.00 0.00 92 G 8.09 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 93 A 8.14 4.91 1.20 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 0.00 0.00 94 V 9.63 4.12 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 0.23 0.00 0.00 0.78 0.00 0.00 95 N 8.12 4.76 0.00 2.68 2.54 0.00 0.00 7.20 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 96 F 9.11 5.16 0.00 3.19 3.14 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 0.00 0.00 0.00 0.00 97 D 7.86 4.81 0.00 2.84 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 98 I 8.26 3.91 1.79 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 0.89 0.31 0.90 0.00 0.00 99 D 8.58 4.74 0.00 2.86 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 0.00 100 T 8.50 3.93 4.37 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 1.24 0.00 0.00 101 H 8.47 4.71 0.00 3.35 3.45 0.00 5.82 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 G 8.44 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 0.00 0.00 0.00 0.00 103 G 8.21 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 0.00 104 I 8.65 4.58 2.03 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.72 1.01 0.00 0.00 105 F 9.15 4.33 0.00 2.80 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 0.00 106 V 8.18 4.22 0.67 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 0.39 0.00 0.00 0.80 0.00 0.00 107 K 8.16 4.62 0.00 1.18 1.25 0.00 1.54 0.00 0.00 1.58 0.00 0.00 2.59 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.16 1.18 7.81 108 I 8.52 4.63 1.93 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.87 0.94 0.00 0.00 109 L 9.26 5.08 0.00 1.48 1.54 0.87 0.54 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 0.00 110 A 8.79 4.83 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 0.00 111 D 8.53 4.66 0.00 2.91 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 0.00 112 E 8.70 3.90 0.00 2.09 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 0.00 2.28 2.35 0.00 113 N 8.73 4.84 0.00 2.67 2.86 0.00 0.00 6.85 7.31 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 0.00 114 E 8.16 4.65 0.00 2.12 1.85 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 2.45 2.36 0.00 115 D 8.23 4.83 0.00 2.65 2.52 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 0.00 116 I 8.25 3.83 1.88 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 1.43 1.53 1.01 0.00 0.00 *118 K 8.18 4.31 0.00 2.07 1.89 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.47 7.81 119 I 7.68 3.73 2.09 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 1.76 0.87 0.94 0.00 0.00 120 I 7.73 3.74 1.87 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 1.54 0.84 0.89 0.00 0.00 121 K 7.93 4.05 0.00 1.86 1.87 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 122 D 7.99 4.46 0.00 2.81 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 0.00 123 I 7.75 4.08 1.89 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 1.50 0.90 0.94 0.00 0.00 124 A 7.91 4.62 1.18 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 0.00 0.00 125 P 0.00 4.58 0.00 1.95 1.99 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.35 0.00 126 R 8.56 4.34 0.00 1.76 1.86 0.00 3.09 0.00 0.00 3.38 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 127 T 8.09 4.76 4.41 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 1.24 0.00 0.00 128 K 8.69 4.36 0.00 1.74 1.73 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.36 1.37 7.81 129 G 8.46 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 0.00 0.00 0.00 130 G 8.34 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 0.00 0.00 0.00 131 V 7.00 4.33 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 0.74 0.00 0.00 0.93 0.00 0.00 132 I 8.27 4.11 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 0.53 0.91 0.00 0.00 133 I 7.14 3.98 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 0.75 0.91 0.00 0.00 134 N 7.88 4.53 0.00 2.71 2.73 0.00 0.00 6.72 7.56 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 * Residues marked with a * may have inaccurate shift predictions.