NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2783 8.2649 123.5824 51.9935 19.9160 175.9128 2 D 4.6006 8.5148 120.6124 52.4768 41.9405 174.5733 3 L 4.8224 8.2832 124.2124 52.9325 45.2526 175.5376 4 T 4.6603 8.2698 111.2280 59.9925 71.4954 172.5453 5 A 4.7509 8.1184 124.3165 51.3083 22.4719 175.2700 6 S 4.7751 8.2049 112.2807 57.4147 65.8775 173.1663 7 F 4.5604 8.2949 121.8515 57.4185 42.0114 173.5823 8 T 4.2579 7.2565 121.8288 61.9520 68.8065 174.8322 9 A 4.3858 8.5551 130.4806 51.9605 19.2826 176.4141 10 T 4.7143 8.3561 111.0796 59.7267 71.7401 173.2252 11 A 4.6910 8.2903 124.5582 50.7972 22.3234 175.6324 12 T 4.5267 8.4760 116.8125 61.7593 70.4366 173.7622 13 L 4.7535 8.4522 126.4674 52.8489 43.8378 176.3954 14 V 4.3881 8.1863 115.4552 59.3794 34.6649 174.9406 15 E 4.4647 8.4603 123.7484 53.4563 30.0672 174.0063 16 P 4.3418 0.0000 0.0000 62.7803 31.9163 176.6932 17 A 4.3880 8.1943 122.9325 51.0687 17.3963 175.3380 18 R 4.5754 8.1121 119.7387 55.2018 32.2355 175.2358 19 I 5.1010 8.4452 124.7863 59.6576 39.8941 175.0184 20 T 4.7956 9.0142 117.1558 59.8807 72.3354 172.9498 21 L 5.1594 8.3122 123.5199 54.1784 45.2397 174.9220 22 T 4.6734 9.2863 123.6475 61.9973 71.3872 172.7257 23 Y 5.1267 8.7193 127.4534 55.9564 41.0753 174.2408 24 K 4.2564 8.5600 130.4466 54.4013 33.3357 175.0813 25 E 3.7856 8.6073 128.7457 57.2808 30.0256 177.0957 26 G 4.1376 8.2785 113.7243 44.8091 0.0000 173.1002 27 A 4.2607 8.4450 122.2465 51.1103 19.0027 176.0292 28 P 4.2678 0.0000 0.0000 63.1040 31.9484 175.9492 29 I 4.2567 8.0618 122.3560 59.9175 38.4874 175.4353 30 T 4.3208 8.1926 122.3012 62.4455 69.5993 174.2661 31 I 4.2229 7.9364 126.3611 60.2013 38.4158 175.8832 32 M 4.3061 8.9548 127.6359 55.2972 32.7673 177.7342 *33 D 4.4075 8.7611 118.7970 56.6967 39.6980 176.0314 34 N 4.6997 8.1070 114.7165 52.6619 37.4946 175.9492 35 G 3.8634 8.0489 106.0145 46.3751 0.0000 173.7782 36 N 4.9903 7.7324 117.0425 51.7168 40.1710 174.0513 37 I 4.5947 7.5418 112.4675 58.4664 40.3329 175.0260 38 D 4.3787 8.3001 120.7034 54.7432 41.6835 175.3915 39 T 4.3599 8.0611 117.5745 61.8616 68.8495 174.3871 40 E 3.9022 8.8985 125.2235 56.6899 27.8126 174.6652 41 L 4.0479 7.3761 120.2730 54.6712 42.8347 176.5158 42 L 4.5796 8.4723 125.7559 54.7103 41.3591 176.3029 43 V 3.7567 9.3150 128.6214 65.5868 32.6682 175.7493 44 G 4.5994 7.5785 104.0975 46.6242 0.0000 172.2151 45 T 5.1590 8.1578 117.6699 61.6121 71.2243 173.4763 46 L 5.3139 9.4543 127.2926 53.5028 44.4867 175.7478 47 T 4.9209 9.0925 120.2314 61.6915 71.4100 172.7501 48 L 4.9089 8.9105 130.2981 54.4403 43.7643 175.9594 49 G 4.0813 9.1425 112.7206 44.9610 0.0000 171.9286 50 G 4.2804 8.9248 106.3595 46.6689 0.0000 173.9984 51 Y 4.3205 6.9145 115.8341 56.2773 38.9353 175.4671 52 K 4.1977 8.5444 122.1470 56.0326 33.0818 176.4806 53 T 4.2780 8.4502 122.4658 65.0220 68.7546 173.6380 54 G 4.1316 9.5175 114.5488 46.1397 0.0000 174.4508 55 T 3.7575 7.9780 116.6590 64.4671 68.9709 173.2711 56 T 4.9935 7.6826 115.4097 59.3999 71.4286 175.6630 57 S 4.1832 8.9523 117.6879 61.5731 63.0959 176.3875 58 T 4.0638 7.9617 109.1975 62.9211 68.9198 175.0127 59 S 4.4123 7.8546 117.0373 58.4937 63.9560 173.1682 60 V 4.6590 7.4012 123.0089 61.3544 33.4894 173.8959 61 N 5.1682 8.9590 126.2747 51.9791 42.1106 172.8769 62 F 5.0324 9.2393 126.6912 56.6860 40.3670 175.2542 63 T 5.3032 9.1142 114.8158 59.9905 72.0695 172.6219 64 D 5.2322 8.9806 121.5256 51.8383 42.6532 175.2423 65 A 4.0245 8.6812 120.7769 55.1883 18.6378 178.7195 66 A 3.9766 8.0874 117.7772 54.6189 18.3814 178.7320 67 G 3.7801 8.3477 101.2406 46.1698 0.0000 172.9282 68 D 4.4492 7.9198 119.8650 52.7164 41.1775 173.8762 69 P 4.5513 0.0000 0.0000 64.6662 31.6462 176.8067 70 M 3.1235 9.2131 122.4505 55.0320 30.8765 176.2312 71 Y 5.1753 7.4275 115.1575 56.1005 42.0794 174.7656 72 L 4.6776 8.7338 123.3304 53.9530 43.7389 175.5678 73 T 4.9518 8.7766 120.9626 61.9978 70.2015 174.0133 74 F 4.7392 8.7544 125.8692 56.2895 41.2694 175.1840 75 T 5.4142 8.7058 118.9065 61.5002 72.3156 173.8028 76 S 3.9365 8.6145 120.5384 57.9961 63.8275 173.8090 77 Q 4.4224 8.1346 120.8713 56.2132 28.4121 176.4574 78 D 4.5068 7.9957 117.0239 53.3367 40.0936 177.3458 79 G 3.9219 8.2522 108.3730 45.6592 0.0000 173.6189 80 N 4.5262 8.4588 115.8890 52.3149 39.1093 174.2435 81 N 4.1107 7.8950 115.4417 54.7854 37.4943 173.7346 82 H 4.7098 8.0626 114.7253 55.8464 30.2144 175.8372 83 Q 5.4680 8.9275 121.3069 54.1959 32.5548 174.5041 84 F 5.3439 9.0060 116.8707 55.4614 41.9028 173.7173 85 T 5.2206 8.9363 110.8960 60.7030 71.5391 173.3729 86 T 5.4219 8.9488 112.2391 60.0655 72.9660 172.5261 87 K 4.9988 9.2325 121.1241 55.1112 36.2858 175.0123 88 V 4.7967 8.2567 121.3811 61.2415 33.1178 174.5630 89 I 4.9529 8.6215 120.3152 60.0316 41.8805 174.4252 90 G 4.3514 9.0738 108.5728 45.8213 0.0000 171.5129 91 K 5.4477 8.6443 118.4190 54.7249 35.4603 176.7987 92 D 4.7825 8.6661 124.1049 51.9660 41.6260 177.0422 93 S 4.1282 8.6284 113.0114 61.1690 62.8785 174.7571 94 R 4.2401 7.6020 115.9001 56.4264 29.7136 175.1235 95 D 4.4146 7.4854 114.0520 56.0740 40.6487 173.2363 96 F 5.0678 8.7955 114.8597 56.1289 40.1107 174.9592 97 D 5.2279 8.7312 123.8466 54.6224 41.1903 175.6726 98 I 4.9907 9.1730 116.8625 59.3870 41.6762 174.1505 99 S 4.9926 8.3413 115.5217 56.3342 65.6841 172.1485 100 P 4.7400 0.0000 0.0000 61.9221 32.8357 175.7164 101 K 4.2087 8.5665 119.4389 56.5912 33.4299 176.8083 102 V 4.6951 8.4579 123.3074 61.5520 34.5234 175.3491 103 N 4.1828 10.4778 127.6590 54.2978 36.6585 175.3969 104 G 4.0090 9.3300 105.0785 45.2200 0.0000 173.8794 105 E 4.6609 7.4770 118.1342 54.3089 33.5157 174.2976 106 N 4.7001 8.5504 120.2915 52.9296 39.4985 175.2038 107 L 4.0864 8.5022 125.4074 57.3602 42.6240 177.2116 108 V 4.3633 7.5101 115.0635 61.1215 34.2957 175.3582 109 G 3.9854 8.8556 109.3316 46.1944 0.0000 173.2316 *110 D 4.6801 8.1398 117.5808 51.4868 40.9238 175.5685 111 D 4.4810 8.5636 117.7218 56.1576 41.6092 176.0886 112 V 4.6624 8.4911 118.3050 59.2468 36.4364 174.9258 113 V 4.1609 8.3412 122.9174 62.6767 31.9108 176.0050 114 L 4.4273 8.6905 128.0635 54.2918 42.3157 177.0649 115 A 4.1300 8.8460 124.3426 52.4587 18.9042 178.1407 116 T 3.8772 8.2950 118.0659 65.0030 68.2283 173.3479 117 G 3.9059 8.9934 120.7332 44.6748 0.0000 172.8697 118 S 4.8004 7.1694 113.6184 55.8389 67.2779 172.5751 119 Q 4.3734 9.1357 121.3420 54.4328 31.9676 173.5935 120 D 4.9153 8.4387 126.3039 53.6748 42.0371 175.7489 121 F 4.9049 8.9283 121.3564 55.5723 43.0562 174.0427 122 F 5.3070 9.2543 121.4095 55.7343 41.4538 174.9969 123 V 4.3928 9.0041 125.0694 62.6808 32.4681 174.7997 124 R 5.3617 8.9345 127.8903 53.9197 33.2014 175.7673 125 S 4.2359 8.8352 118.9239 59.3231 63.6009 173.8950 126 I 4.0700 9.0875 124.3984 60.5470 37.0126 179.1207 127 G 3.9411 6.6822 110.1040 46.3149 0.0000 170.5986 128 S 4.8958 7.8356 114.7628 56.2574 64.7213 176.0586 129 K 4.1918 8.9265 127.1822 58.4020 32.2164 177.9764 130 G 3.7475 7.5884 104.1443 44.8816 0.0000 175.4557 131 G 3.8530 8.7302 108.6523 45.9327 0.0000 173.0366 132 K 3.9019 8.7344 115.9452 57.1776 29.1896 176.2274 133 L 4.0535 7.9184 118.2238 55.0817 42.0701 177.0104 134 A 4.6326 8.0162 125.4289 49.9960 20.9188 176.8851 135 A 4.1457 8.2890 122.9750 52.8342 19.1921 177.4086 136 G 3.8153 8.2541 105.4715 43.9845 0.0000 172.3985 137 K 4.6439 8.5995 119.2411 55.4599 33.7577 175.4407 138 Y 5.3098 9.0039 122.8956 56.5139 40.1930 175.2153 139 T 5.0299 9.2632 113.4928 60.2619 72.7143 172.2244 140 D 4.7950 8.4680 120.4752 52.6560 44.6844 174.4007 141 A 4.4762 8.4361 126.8088 50.4734 20.0317 175.7975 142 V 4.5554 8.1469 122.3055 62.0727 33.7851 174.9000 143 T 4.4055 8.7213 124.8911 62.1911 70.4158 173.8609 144 V 4.1574 8.2326 126.5970 61.6007 32.6742 174.8008 145 T 4.3487 8.5789 126.6585 62.1210 70.1086 174.1686 146 V 4.4891 8.2405 126.9864 61.3491 33.1403 175.7554 147 S 4.5306 9.0364 126.2574 57.1327 62.1740 173.7764 148 N 4.4597 8.4679 122.0442 52.7962 39.1837 175.6799 149 Q 4.1683 8.6312 120.0006 56.3878 28.7504 176.3231 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 4.28 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 2 D 8.51 4.60 0.00 2.76 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.28 4.82 0.00 1.60 1.55 0.92 0.86 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 4 T 8.27 4.66 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 5 A 8.12 4.75 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 6 S 8.20 4.78 0.00 3.95 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 7 F 8.29 4.56 0.00 2.95 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 8 T 7.26 4.26 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 1.16 0.00 0.00 9 A 8.56 4.39 1.29 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 0.00 0.00 0.00 10 T 8.36 4.71 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 11 A 8.29 4.69 1.21 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 12 T 8.48 4.53 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 13 L 8.45 4.75 0.00 1.61 1.57 0.92 0.92 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 14 V 8.19 4.39 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 0.93 0.00 0.00 15 E 8.46 4.46 0.00 1.88 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 2.19 2.32 0.00 16 P 0.00 4.34 0.00 2.22 2.05 0.00 3.80 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 17 A 8.19 4.39 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 18 R 8.11 4.58 0.00 1.94 1.86 0.00 3.05 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 19 I 8.45 5.10 1.89 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.91 0.95 0.00 0.00 20 T 9.01 4.80 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 1.21 0.00 0.00 21 L 8.31 5.16 0.00 1.66 1.60 1.15 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 22 T 9.29 4.67 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 1.25 0.00 0.00 23 Y 8.72 5.13 0.00 3.12 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 24 K 8.56 4.26 0.00 1.77 1.56 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.78 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.27 1.30 7.81 25 E 8.61 3.79 0.00 1.99 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 2.41 2.56 0.00 26 G 8.28 4.14 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 0.00 0.00 0.00 27 A 8.44 4.26 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 28 P 0.00 4.27 0.00 2.03 2.01 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 29 I 8.06 4.26 1.69 0.00 0.00 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 1.28 0.62 0.62 0.00 0.00 30 T 8.19 4.32 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 1.17 0.00 0.00 31 I 7.94 4.22 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.40 0.94 0.00 0.00 32 M 8.95 4.31 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.49 0.00 *33 D 8.76 4.41 0.00 2.69 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 34 N 8.11 4.70 0.00 2.79 2.91 0.00 0.00 6.05 7.00 0.00 0.00 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 G 8.05 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 0.00 0.00 0.00 36 N 7.73 4.99 0.00 2.88 2.68 0.00 0.00 6.52 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 37 I 7.54 4.59 1.59 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.45 0.65 0.00 0.00 38 D 8.30 4.38 0.00 2.58 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 39 T 8.06 4.36 4.22 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 1.20 0.00 0.00 40 E 8.90 3.90 0.00 2.16 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 2.22 2.41 0.00 41 L 7.38 4.05 0.00 1.51 1.53 0.83 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.47 4.58 0.00 1.60 1.60 1.19 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 43 V 9.31 3.76 2.26 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 0.79 0.00 0.00 0.93 0.00 0.00 44 G 7.58 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 45 T 8.16 5.16 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 1.28 0.00 0.00 46 L 9.45 5.31 0.00 1.88 1.86 0.96 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 47 T 9.09 4.92 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 1.24 0.00 0.00 48 L 8.91 4.91 0.00 2.10 1.78 1.08 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 49 G 9.14 4.08 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 0.00 0.00 0.00 50 G 8.92 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 0.00 0.00 0.00 0.00 51 Y 6.91 4.32 0.00 3.06 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 52 K 8.54 4.20 0.00 1.87 1.78 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.49 7.81 53 T 8.45 4.28 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 1.25 0.00 0.00 54 G 9.52 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 55 T 7.98 3.76 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 0.91 0.00 0.00 56 T 7.68 4.99 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 1.24 0.00 0.00 57 S 8.95 4.18 0.00 4.22 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 0.00 58 T 7.96 4.06 4.23 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 1.24 0.00 0.00 59 S 7.85 4.41 0.00 4.14 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 0.00 60 V 7.40 4.66 2.18 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 0.81 0.00 0.00 0.90 0.00 0.00 61 N 8.96 5.17 0.00 2.76 2.53 0.00 0.00 6.76 8.27 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 62 F 9.24 5.03 0.00 2.96 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 63 T 9.11 5.30 4.22 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 1.18 0.00 0.00 64 D 8.98 5.23 0.00 2.63 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 65 A 8.68 4.02 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 66 A 8.09 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 67 G 8.35 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 0.00 0.00 0.00 68 D 7.92 4.45 0.00 2.83 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 69 P 0.00 4.55 0.00 2.05 1.96 0.00 3.81 0.00 0.00 3.83 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 70 M 9.21 3.12 0.00 1.49 1.44 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 71 Y 7.43 5.18 0.00 2.85 2.88 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 72 L 8.73 4.68 0.00 1.71 1.61 0.90 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 73 T 8.78 4.95 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 1.18 0.00 0.00 74 F 8.75 4.74 0.00 1.64 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 75 T 8.71 5.41 4.22 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 1.19 0.00 0.00 76 S 8.61 3.94 0.00 3.45 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 77 Q 8.13 4.42 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.84 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 78 D 8.00 4.51 0.00 2.75 2.75 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 79 G 8.25 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 0.00 0.00 0.00 80 N 8.46 4.53 0.00 2.78 2.74 0.00 0.00 6.92 8.55 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 81 N 7.90 4.11 0.00 2.77 2.81 0.00 0.00 7.12 7.89 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 82 H 8.06 4.71 0.00 3.35 3.52 0.00 5.61 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 83 Q 8.93 5.47 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 84 F 9.01 5.34 0.00 3.31 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 85 T 8.94 5.22 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 1.18 0.00 0.00 86 T 8.95 5.42 4.42 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 1.40 0.00 0.00 87 K 9.23 5.00 0.00 1.85 2.12 0.00 1.34 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.58 1.42 7.81 88 V 8.26 4.80 1.64 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 0.18 0.00 0.00 0.58 0.00 0.00 89 I 8.62 4.95 2.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.02 0.96 0.00 0.00 90 G 9.07 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.64 5.45 0.00 1.71 1.76 0.00 1.89 0.00 0.00 1.99 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.45 7.81 92 D 8.67 4.78 0.00 2.85 2.89 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 93 S 8.63 4.13 0.00 3.96 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 94 R 7.60 4.24 0.00 1.42 1.78 0.00 2.84 0.00 0.00 2.97 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.50 0.00 95 D 7.49 4.41 0.00 2.70 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 96 F 8.80 5.07 0.00 3.41 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 97 D 8.73 5.23 0.00 2.61 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 98 I 9.17 4.99 1.98 0.00 0.00 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 1.39 1.10 1.02 0.00 0.00 99 S 8.34 4.99 0.00 3.91 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 0.00 100 P 0.00 4.74 0.00 2.10 1.67 0.00 3.60 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.85 0.00 101 K 8.57 4.21 0.00 1.90 1.82 0.00 1.70 0.00 0.00 1.54 0.00 0.00 2.74 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.36 7.81 102 V 8.46 4.70 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 0.99 0.00 0.00 0.79 0.00 0.00 103 N 10.48 4.18 0.00 2.91 2.81 0.00 0.00 7.30 8.17 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 0.00 104 G 9.33 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 0.00 105 E 7.48 4.66 0.00 1.85 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 2.25 2.21 0.00 106 N 8.55 4.70 0.00 2.68 2.72 0.00 0.00 6.95 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 0.00 107 L 8.50 4.09 0.00 1.41 1.62 0.84 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.51 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 0.74 0.00 0.00 0.94 0.00 0.00 109 G 8.86 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 *110 D 8.14 4.68 0.00 2.71 2.47 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 0.00 111 D 8.56 4.48 0.00 2.61 2.64 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 0.00 112 V 8.49 4.66 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 0.80 0.00 0.00 0.99 0.00 0.00 113 V 8.34 4.16 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 0.85 0.00 0.00 0.94 0.00 0.00 114 L 8.69 4.43 0.00 1.30 1.51 0.44 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.85 4.13 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 0.00 116 T 8.30 3.88 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 1.20 0.00 0.00 117 G 8.99 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 0.00 118 S 7.17 4.80 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 0.00 119 Q 9.14 4.37 0.00 2.10 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.00 0.00 0.00 0.00 0.00 0.00 1.51 1.23 0.00 120 D 8.44 4.92 0.00 2.24 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 0.00 0.00 0.00 121 F 8.93 4.90 0.00 2.85 2.64 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 0.00 122 F 9.25 5.31 0.00 3.07 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 0.00 123 V 9.00 4.39 2.28 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 1.19 0.00 0.00 1.12 0.00 0.00 124 R 8.93 5.36 0.00 1.81 1.83 0.00 3.43 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 125 S 8.84 4.24 0.00 3.85 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 0.00 126 I 9.09 4.07 1.96 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.92 0.81 0.00 0.00 127 G 6.68 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 0.00 0.00 0.00 128 S 7.84 4.90 0.00 3.94 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 0.00 129 K 8.93 4.19 0.00 1.78 1.86 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.34 7.81 130 G 7.59 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 0.00 131 G 8.73 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 0.00 0.00 0.00 132 K 8.73 3.90 0.00 1.97 2.02 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.53 7.81 133 L 7.92 4.05 0.00 1.68 1.57 0.65 0.73 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 0.00 134 A 8.02 4.63 1.17 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 0.00 135 A 8.29 4.15 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 0.00 136 G 8.25 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 0.00 0.00 0.00 137 K 8.60 4.64 0.00 1.85 1.80 0.00 1.73 0.00 0.00 1.93 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.45 7.81 138 Y 9.00 5.31 0.00 3.05 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 0.00 139 T 9.26 5.03 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 1.27 0.00 0.00 140 D 8.47 4.79 0.00 1.58 1.70 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 0.00 141 A 8.44 4.48 1.17 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 0.00 142 V 8.15 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 1.04 0.00 0.00 0.83 0.00 0.00 143 T 8.72 4.41 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 1.14 0.00 0.00 144 V 8.23 4.16 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 0.65 0.00 0.00 145 T 8.58 4.35 4.14 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 1.15 0.00 0.00 146 V 8.24 4.49 2.06 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 0.79 0.00 0.00 0.88 0.00 0.00 147 S 9.04 4.53 0.00 3.71 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 0.00 148 N 8.47 4.46 0.00 2.72 2.77 0.00 0.00 7.20 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 0.00 149 Q 8.63 4.17 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.65 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.