NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 14 V 4.0587 8.0549 114.0576 61.5590 32.3891 175.6707 15 C 4.6253 8.4008 122.3038 53.6829 43.5721 171.0924 16 P 4.4389 0.0000 0.0000 62.1244 32.4193 175.6136 17 Q 4.0243 8.4389 120.6354 58.2374 29.1696 177.1043 18 G 4.0022 9.2265 113.1035 44.9941 0.0000 172.3877 19 K 5.2805 7.8580 118.3326 54.6471 34.7431 175.1378 20 Y 4.8687 8.5483 119.5656 54.8477 41.6046 174.5464 21 I 3.9976 8.4166 121.9403 61.1269 39.1963 175.0184 22 H 4.1607 9.2076 129.9780 55.8269 30.2849 174.6078 23 P 4.4357 0.0000 0.0000 65.3160 31.4039 177.3393 24 Q 4.3500 8.2823 114.1695 56.0829 29.6105 175.1746 25 N 4.6814 7.8698 116.6100 52.2843 40.5291 174.4389 26 N 4.5391 8.7385 123.6852 55.1870 38.8308 176.5088 27 S 4.3371 8.5720 114.4507 59.8493 63.6365 174.0675 28 I 4.4722 7.7052 121.9924 59.6485 39.1425 174.0925 29 C 5.2401 8.6668 123.1846 55.2898 39.7631 173.9942 30 C 5.0333 8.3279 120.7208 54.9638 43.3211 173.5022 31 T 4.5975 8.3096 118.4357 63.4015 68.6621 174.8518 32 K 4.4643 9.0236 126.0465 56.6614 33.1705 176.0916 33 C 4.6561 9.1557 119.6557 57.0715 41.7012 173.3103 34 H 5.1109 8.3349 117.9461 54.2703 30.3734 175.2211 35 K 4.2845 8.5981 119.8747 58.9323 32.7470 177.3602 36 G 4.6030 10.2838 111.1181 45.1316 0.0000 172.8984 37 T 5.1906 7.7364 108.4453 59.8412 72.0484 172.1688 38 Y 4.8937 8.2472 119.6529 54.7587 42.1906 174.3318 39 L 4.2945 8.9988 122.8146 55.1959 42.1750 176.3201 40 Y 4.3309 8.6229 128.9931 59.7991 39.9519 175.7589 41 N 4.9539 7.8661 115.2392 51.8219 43.2703 174.6975 42 D 5.0807 9.0622 123.0497 53.4039 41.7489 174.8403 43 C 4.7851 8.3397 114.7787 54.1185 42.4269 172.1979 44 P 4.2327 0.0000 0.0000 65.6614 31.3092 175.9549 45 G 4.0590 7.3877 104.8048 43.8879 0.0000 170.1600 46 P 4.3757 0.0000 0.0000 63.7891 31.6876 177.1198 47 G 3.9536 8.8407 108.5971 45.5363 0.0000 173.2211 48 Q 4.5303 7.3086 118.1568 53.9006 30.0350 175.1226 49 D 4.5526 8.4292 121.1830 55.0089 42.5643 175.1521 50 T 4.3646 8.3817 120.2296 62.9376 70.2510 174.3755 51 D 4.6790 9.0064 125.8009 53.5585 41.7466 174.0275 52 C 5.3147 8.5924 122.8723 54.9985 44.1559 173.8020 53 R 4.6966 7.9657 121.1702 53.6817 33.5648 174.8020 54 E 4.5459 8.7820 122.8564 56.7601 30.2589 177.3560 55 C 4.7103 8.9958 123.9576 56.8755 35.3246 173.5571 56 E 4.2483 8.7386 122.5177 55.4201 30.1456 175.9996 57 S 4.2134 8.4751 117.9230 60.3628 62.7790 174.5543 58 G 4.0510 9.9960 114.9236 45.2301 0.0000 172.2194 59 S 5.4165 7.9635 114.3805 57.2051 68.0114 172.5826 60 F 5.0979 8.5509 115.6176 56.6733 42.0279 173.0666 61 T 4.5368 8.4295 108.2397 60.1263 71.3491 174.0583 62 A 4.9437 9.3149 127.8119 51.2940 19.3820 175.5163 63 S 4.7812 7.5455 110.3320 57.1135 66.0022 173.9919 64 E 4.3749 8.7320 118.5276 57.3934 29.8714 175.8623 65 N 4.9297 9.0907 119.1128 52.2289 41.4905 173.5503 66 H 4.9951 8.0590 113.0571 54.7553 28.2680 173.5268 67 L 4.0901 8.6254 121.7964 56.0668 42.6160 176.7491 68 R 4.7233 8.4352 123.1541 56.1077 30.1136 175.5588 69 H 4.4083 7.5899 113.6008 54.6981 32.6777 173.4590 70 C 4.6781 8.0182 118.6771 56.0230 43.1985 172.9863 71 L 4.6813 7.9812 121.0202 53.0289 43.3676 176.5515 72 S 4.6978 8.4706 117.6418 58.2739 63.8309 174.7008 73 C 4.7872 8.9446 121.3128 57.5572 40.4838 174.2353 74 S 4.4977 9.3755 119.8055 58.2886 63.2559 173.7458 75 K 4.5593 8.1583 122.0510 54.5423 33.6818 177.4545 76 C 4.2914 8.5237 120.9033 56.9645 41.1823 174.5552 77 R 4.1006 9.1441 123.2933 55.5017 28.3878 177.4930 78 K 3.9566 8.4262 123.7179 59.2273 32.4408 179.6526 79 E 3.8720 8.1304 117.1532 59.2092 29.6749 177.4602 80 M 4.1568 8.0715 116.9305 54.6810 32.0839 177.5691 81 G 3.8261 8.2143 107.1107 45.5752 0.0000 174.4688 82 Q 4.3817 7.6411 118.1006 55.9263 29.5594 175.8353 83 V 4.5611 8.6758 114.1403 59.2179 36.1753 174.5889 84 E 4.4910 8.7558 124.8155 56.3747 30.1277 176.6867 85 I 4.4166 8.4950 120.6765 60.8976 38.9790 175.7336 86 S 4.4761 7.3887 114.9076 57.6414 65.4840 174.8827 87 S 4.9902 8.7890 123.3476 57.8117 63.6817 174.5134 88 C 4.6389 8.7253 123.3692 56.9601 39.2217 172.6878 89 T 4.7336 8.8423 115.5831 59.2728 71.5064 175.2341 90 V 4.0259 8.6669 113.4285 63.2418 31.6286 177.5998 91 D 5.6213 7.7065 116.5029 52.0333 39.9079 175.3414 92 R 4.5354 7.8504 120.5156 55.3776 33.7408 174.1647 93 D 3.9879 7.9984 126.0323 53.4159 42.3995 175.4864 94 T 3.9936 8.1375 117.7895 64.3139 69.1484 173.7710 95 V 4.3490 8.7818 125.9838 61.4965 33.4290 173.9048 96 C 5.3966 8.9514 124.8775 55.9446 40.4714 174.0139 97 G 3.9841 9.1795 107.1181 46.1505 0.0000 171.0668 98 C 5.5320 7.8471 116.0975 54.7996 39.3188 174.7939 99 R 4.1777 8.4167 119.5119 55.4827 30.4777 176.2962 100 K 3.8802 8.2771 120.7516 58.4115 32.6849 176.2954 101 N 4.5778 9.2941 121.3169 53.7632 35.5473 173.1920 102 Q 5.2169 7.8936 116.2050 54.3590 32.5770 174.2443 103 Y 4.9618 8.8215 121.0716 55.2762 41.5773 174.5234 104 R 4.6799 8.9154 119.8198 55.4254 31.6064 175.7554 105 H 4.8001 9.0544 123.7337 54.4829 32.3480 172.3661 106 Y 4.5970 8.5084 124.4969 57.2364 38.3717 175.8657 107 W 4.7399 9.1325 126.5443 59.2082 29.5970 176.1945 108 S 4.7334 8.1798 110.0773 56.8782 65.3446 173.6358 109 E 4.0593 8.7375 121.1793 59.0453 29.2579 177.3570 110 N 5.0468 8.1899 112.6470 53.3185 41.0846 174.1872 111 L 4.4963 7.8754 121.4393 54.2557 42.9764 175.7668 112 F 5.1784 8.1885 120.5924 54.9269 41.1976 173.8264 113 Q 4.6125 8.7939 121.1026 54.4909 32.3739 173.3401 114 C 4.9851 8.7801 123.2224 56.0257 42.0438 173.2102 115 F 4.9953 8.4675 121.8472 55.0994 42.5719 174.3329 116 N 4.6294 9.1136 119.2243 54.2697 39.1871 175.2149 117 C 4.9067 8.8299 120.6561 56.4725 40.9179 174.2153 118 S 4.3500 9.4130 121.2550 58.6711 63.0968 173.7178 119 L 4.5138 8.1334 123.6436 53.3122 42.9919 177.6903 120 C 4.4298 8.5123 120.5956 56.2957 38.5229 172.6757 121 L 4.2236 8.1616 125.5067 54.7475 42.0672 177.9439 122 N 4.1665 8.8871 119.4868 53.3055 36.7867 173.7789 123 G 4.3415 7.1348 107.1428 44.8517 0.0000 172.1903 124 T 4.5942 8.3312 115.8730 62.0332 73.4684 174.6484 125 V 4.2258 8.4823 119.1221 61.8782 29.5145 175.3352 126 H 4.3662 8.8330 124.7965 58.5575 30.5994 174.9054 127 L 4.9261 8.0403 117.9659 52.6295 44.8698 176.6866 128 S 4.6267 8.7048 118.2950 57.6515 64.4690 174.3792 129 C 4.4594 8.7020 121.2175 57.1656 38.2514 172.8043 130 Q 4.6888 9.0116 124.5752 53.5046 31.5938 176.1731 131 E 4.0144 8.7701 119.1609 58.9042 29.5681 178.1283 132 K 5.0685 7.8497 115.7325 55.4652 33.3237 175.3769 133 Q 4.2187 7.9192 119.3022 54.4111 32.1354 173.5158 134 N 3.9917 7.5512 123.7508 53.1792 39.9795 174.2668 135 T 4.0419 8.1840 118.7979 63.7357 69.5139 173.9626 136 V 4.1871 8.8291 126.0295 61.7551 33.1619 174.1136 137 C 5.4780 8.7564 125.0497 55.6206 43.8537 173.6943 138 T 4.5159 8.8484 112.0104 59.8224 70.2417 172.8904 139 C 4.9132 8.8769 124.2238 57.8289 38.9722 172.5079 140 H 5.2055 8.4894 116.4759 53.3759 31.9739 174.1032 141 A 4.0891 8.6228 121.6103 54.4495 18.4076 176.8794 142 G 4.1890 9.3690 111.0017 44.9126 0.0000 172.8608 143 F 5.0477 8.5219 118.4675 55.8793 40.3782 175.7086 144 F 5.2014 9.2141 118.7489 54.7095 40.7856 174.4441 145 L 4.4508 8.7034 124.7664 56.0503 41.3085 176.9347 *146 R 4.4013 8.8312 125.9479 55.8137 31.5415 173.2651 *147 E 3.9249 8.6964 124.3910 56.0786 27.0671 172.7519 *148 N 5.1248 8.6185 116.7738 54.0999 37.9821 171.0737 149 E 4.7495 7.8253 116.1951 55.9828 33.8576 173.8163 150 C 5.0266 8.6547 118.2522 55.9887 39.9047 173.5591 151 V 4.4058 8.1286 124.8843 60.9947 33.4035 175.1059 152 S 3.5969 8.6084 119.4693 58.5396 62.6566 173.5757 153 C 3.9281 7.8371 129.2119 60.8283 31.8325 172.8175 *154 S 4.9003 8.7213 125.1123 56.6277 59.6856 171.3468 *155 N 4.0250 7.6509 121.6539 52.8808 38.2124 176.6568 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 14 V 8.05 4.06 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 0.91 0.00 0.00 0.93 0.00 0.00 15 C 8.40 4.63 0.00 3.14 2.96 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 16 P 0.00 4.44 0.00 2.16 1.98 0.00 3.58 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 17 Q 8.44 4.02 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.61 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 18 G 9.23 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 19 K 7.86 5.28 0.00 1.69 1.67 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.75 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.33 7.81 20 Y 8.55 4.87 0.00 2.68 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 21 I 8.42 4.00 1.88 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 1.24 0.70 0.98 0.00 0.00 22 H 9.21 4.16 0.00 3.22 3.37 0.00 5.64 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.44 0.00 2.13 2.14 0.00 3.49 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.22 0.00 24 Q 8.28 4.35 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 25 N 7.87 4.68 0.00 2.63 2.46 0.00 0.00 7.08 6.59 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 26 N 8.74 4.54 0.00 2.75 2.86 0.00 0.00 7.19 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 27 S 8.57 4.34 0.00 3.84 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 28 I 7.71 4.47 1.90 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.54 0.87 0.00 0.00 29 C 8.67 5.24 0.00 2.73 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 30 C 8.33 5.03 0.00 1.70 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 31 T 8.31 4.60 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 1.23 0.00 0.00 32 K 9.02 4.46 0.00 1.70 1.89 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.57 1.69 7.81 33 C 9.16 4.66 0.00 2.95 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 34 H 8.33 5.11 0.00 3.20 3.23 0.00 5.63 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.60 4.28 0.00 2.12 1.96 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.51 7.81 36 G 10.28 4.60 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 0.00 0.00 0.00 37 T 7.74 5.19 4.28 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 1.23 0.00 0.00 38 Y 8.25 4.89 0.00 3.20 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 39 L 9.00 4.29 0.00 1.71 1.75 1.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 8.62 4.33 0.00 2.62 2.96 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 41 N 7.87 4.95 0.00 2.85 2.72 0.00 0.00 7.15 8.08 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 42 D 9.06 5.08 0.00 2.62 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 43 C 8.34 4.79 0.00 3.33 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 44 P 0.00 4.23 0.00 2.07 2.18 0.00 3.73 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 2.04 2.12 0.00 45 G 7.39 4.06 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 0.00 46 P 0.00 4.38 0.00 2.17 2.03 0.00 3.78 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 1.94 0.00 47 G 8.84 3.95 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 0.00 0.00 0.00 48 Q 7.31 4.53 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 49 D 8.43 4.55 0.00 2.81 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 50 T 8.38 4.36 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 1.43 0.00 0.00 51 D 9.01 4.68 0.00 2.79 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 52 C 8.59 5.31 0.00 2.82 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 53 R 7.97 4.70 0.00 1.31 1.61 0.00 2.62 0.00 0.00 2.80 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.13 0.00 54 E 8.78 4.55 0.00 1.99 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 0.00 2.35 2.54 0.00 55 C 9.00 4.71 0.00 2.97 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 56 E 8.74 4.25 0.00 2.05 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 2.38 2.37 0.00 57 S 8.48 4.21 0.00 3.89 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 58 G 10.00 4.05 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 0.00 0.00 0.00 59 S 7.96 5.42 0.00 3.91 3.64 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 0.00 0.00 0.00 0.00 60 F 8.55 5.10 0.00 3.20 3.27 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 61 T 8.43 4.54 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 1.20 0.00 0.00 62 A 9.31 4.94 1.52 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 63 S 7.55 4.78 0.00 3.88 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 64 E 8.73 4.37 0.00 1.99 2.02 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 2.30 2.35 0.00 65 N 9.09 4.93 0.00 2.76 2.94 0.00 0.00 6.34 7.60 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 66 H 8.06 5.00 0.00 2.18 2.50 0.00 5.72 0.00 0.00 0.00 0.00 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.63 4.09 0.00 1.89 1.70 0.83 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.44 4.72 0.00 1.83 1.91 0.00 3.30 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 69 H 7.59 4.41 0.00 2.96 2.97 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 C 8.02 4.68 0.00 2.70 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 71 L 7.98 4.68 0.00 0.54 1.31 0.70 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.47 4.70 0.00 3.90 3.86 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 0.00 0.00 0.00 73 C 8.94 4.79 0.00 2.94 3.11 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 74 S 9.38 4.50 0.00 3.83 3.79 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 75 K 8.16 4.56 0.00 1.71 1.69 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.36 7.81 76 C 8.52 4.29 0.00 2.92 2.96 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 77 R 9.14 4.10 0.00 1.79 1.76 0.00 3.21 0.00 0.00 3.02 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 78 K 8.43 3.96 0.00 1.77 1.82 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.43 7.81 79 E 8.13 3.87 0.00 1.87 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 2.36 0.00 80 M 8.07 4.16 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 81 G 8.21 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 0.00 0.00 0.00 82 Q 7.64 4.38 0.00 2.04 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.71 6.71 0.00 0.00 0.00 0.00 0.00 1.93 2.10 0.00 83 V 8.68 4.56 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 0.71 0.00 0.00 1.00 0.00 0.00 84 E 8.76 4.49 0.00 2.05 1.83 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 2.37 2.30 0.00 85 I 8.49 4.42 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 1.24 0.80 0.95 0.00 0.00 86 S 7.39 4.48 0.00 3.86 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 87 S 8.79 4.99 0.00 3.79 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 88 C 8.73 4.64 0.00 2.94 2.99 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 89 T 8.84 4.73 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 1.22 0.00 0.00 90 V 8.67 4.03 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 0.91 0.00 0.00 0.98 0.00 0.00 91 D 7.71 5.62 0.00 2.69 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 92 R 7.85 4.54 0.00 1.90 1.71 0.00 3.07 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 93 D 8.00 3.99 0.00 1.58 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 0.00 0.00 0.00 94 T 8.14 3.99 4.18 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 1.19 0.00 0.00 95 V 8.78 4.35 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 1.08 0.00 0.00 0.93 0.00 0.00 96 C 8.95 5.40 0.00 3.01 3.02 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 97 G 9.18 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 98 C 7.85 5.53 0.00 2.87 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 99 R 8.42 4.18 0.00 1.87 1.85 0.00 3.13 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.61 0.00 100 K 8.28 3.88 0.00 1.72 1.73 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.48 7.81 101 N 9.29 4.58 0.00 3.01 3.00 0.00 0.00 6.89 7.69 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 0.00 102 Q 7.89 5.22 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.71 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 103 Y 8.82 4.96 0.00 3.22 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 0.00 104 R 8.92 4.68 0.00 1.58 1.29 0.00 2.88 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.67 0.00 105 H 9.05 4.80 0.00 3.24 3.21 0.00 5.77 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 8.51 4.60 0.00 2.96 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 0.00 107 W 9.13 4.74 0.00 3.46 3.17 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 0.00 108 S 8.18 4.73 0.00 4.04 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 0.00 109 E 8.74 4.06 0.00 1.99 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 2.33 2.47 0.00 110 N 8.19 5.05 0.00 2.82 2.93 0.00 0.00 6.82 7.85 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 0.00 111 L 7.88 4.50 0.00 1.86 1.71 0.90 0.72 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 0.00 112 F 8.19 5.18 0.00 2.07 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 0.00 113 Q 8.79 4.61 0.00 2.31 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.93 0.00 0.00 0.00 0.00 0.00 1.21 2.15 0.00 114 C 8.78 4.99 0.00 2.74 2.86 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 0.00 0.00 0.00 115 F 8.47 5.00 0.00 2.06 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 0.00 116 N 9.11 4.63 0.00 2.70 2.85 0.00 0.00 7.03 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 0.00 117 C 8.83 4.91 0.00 2.99 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 0.00 118 S 9.41 4.35 0.00 3.80 3.78 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 0.00 0.00 0.00 119 L 8.13 4.51 0.00 1.61 1.56 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 120 C 8.51 4.43 0.00 2.92 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 0.00 121 L 8.16 4.22 0.00 1.63 1.50 0.89 0.66 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 0.00 122 N 8.89 4.17 0.00 2.61 2.26 0.00 0.00 6.77 7.74 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 0.00 123 G 7.13 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 0.00 124 T 8.33 4.59 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 1.23 0.00 0.00 125 V 8.48 4.23 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 0.62 0.00 0.00 0.93 0.00 0.00 126 H 8.83 4.37 0.00 3.13 3.41 0.00 5.69 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 L 8.04 4.93 0.00 1.51 1.43 0.86 0.67 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 0.00 128 S 8.70 4.63 0.00 3.86 3.85 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 0.00 129 C 8.70 4.46 0.00 3.00 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 0.00 130 Q 9.01 4.69 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.54 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 131 E 8.77 4.01 0.00 2.04 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 2.34 2.36 0.00 132 K 7.85 5.07 0.00 1.76 1.84 0.00 1.76 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.48 1.40 7.81 133 Q 7.92 4.22 0.00 1.99 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.87 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 134 N 7.55 3.99 0.00 1.78 2.32 0.00 0.00 7.19 7.70 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 0.00 135 T 8.18 4.04 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 0.00 136 V 8.83 4.19 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 0.89 0.00 0.00 0.83 0.00 0.00 137 C 8.76 5.48 0.00 2.84 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 0.00 138 T 8.85 4.52 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 1.19 0.00 0.00 139 C 8.88 4.91 0.00 2.95 3.30 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 0.00 140 H 8.49 5.21 0.00 3.05 3.18 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 0.00 141 A 8.62 4.09 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 0.00 142 G 9.37 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 F 8.52 5.05 0.00 3.05 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 0.00 144 F 9.21 5.20 0.00 3.14 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 0.00 145 L 8.70 4.45 0.00 1.76 1.69 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 *146 R 8.83 4.40 0.00 1.77 1.75 0.00 3.32 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 1.47 1.40 0.00 *147 E 8.70 3.92 0.00 2.08 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 2.18 1.86 0.00 *148 N 8.62 5.12 0.00 2.74 2.71 0.00 0.00 6.26 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 0.00 149 E 7.83 4.75 0.00 1.89 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 2.19 2.21 0.00 150 C 8.65 5.03 0.00 2.92 3.17 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 0.00 151 V 8.13 4.41 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 0.95 0.00 0.00 0.72 0.00 0.00 152 S 8.61 3.60 0.00 3.78 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 0.00 153 C 7.84 3.93 0.00 3.23 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 *154 S 8.72 4.90 0.00 3.73 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 *155 N 7.65 4.02 0.00 2.84 2.66 0.00 0.00 6.49 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.