NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6809 8.4249 118.0851 53.1121 38.7870 173.7895 3 Y 4.1095 8.1142 120.5012 55.9836 38.9181 173.6598 4 P 4.2919 0.0000 0.0000 62.8196 32.7894 176.1606 5 V 4.0959 8.1334 122.3559 60.8864 32.3695 175.0928 6 N 4.3726 8.6786 126.6023 53.1887 39.1468 173.8140 7 P 4.3795 0.0000 0.0000 65.3372 31.8534 177.3153 8 D 4.4921 8.7894 118.3720 56.5802 41.1088 178.6514 9 L 3.7354 7.7106 116.1233 55.4781 41.3434 176.9795 *11 P 4.2654 0.0000 0.0000 62.5517 33.4593 177.8792 12 A 4.0751 8.0088 120.9951 55.2375 18.5119 180.3568 13 L 3.4913 7.9816 115.5646 55.3647 41.5746 178.5480 *15 A 4.2707 8.1260 121.8363 51.7391 20.6223 180.1031 16 V 3.5861 7.7444 114.9181 66.2634 31.5476 178.1103 17 F 4.5903 8.0049 117.5636 60.8321 38.7659 177.4968 18 Q 4.0018 8.1883 118.4771 59.4402 28.9744 177.6058 19 H 4.1615 8.4171 119.2396 59.2530 29.9421 177.1766 20 V 3.4307 8.1054 120.3602 66.1003 31.3742 177.8352 21 R 3.8787 8.1617 118.2741 59.7464 29.8726 178.5099 22 T 3.8614 7.9924 115.3714 66.7932 68.4752 176.8952 23 R 3.8758 7.8353 119.8275 59.1605 30.0676 179.0797 24 I 3.6421 7.6675 119.5966 64.4821 37.0780 178.4118 25 Q 3.9416 8.0674 118.5752 59.2740 28.4853 179.1225 26 S 4.1436 8.1484 116.0144 61.7997 62.3653 176.7848 27 E 3.9999 8.2100 121.2066 59.2055 29.3170 179.3347 28 L 4.0341 7.9275 119.2240 57.8458 41.8006 179.2453 29 D 4.4384 8.2930 118.7050 57.1449 40.4398 178.6641 30 C 4.1432 7.5021 117.1077 62.9286 28.1874 174.6636 31 Q 4.1912 7.7629 114.4213 55.3500 28.7008 176.0574 32 R 3.7170 7.4143 114.0949 57.1870 28.6449 176.7159 33 L 4.1381 7.8201 115.0515 55.6783 42.7683 176.9146 34 D 4.3842 7.9848 116.9833 55.4273 39.5594 172.7377 35 L 4.9700 7.6957 115.2312 52.6632 45.6652 177.1065 36 T 5.0394 8.3296 113.2658 58.8931 72.2691 174.0265 37 P 4.2588 0.0000 0.0000 65.4625 31.2601 177.2014 38 P 4.2893 0.0000 0.0000 65.5238 31.2849 178.2936 39 D 4.3449 7.8949 117.7988 57.4159 40.7720 178.9566 40 V 3.6153 7.8033 118.6763 66.3387 31.4553 177.4661 41 H 4.2504 8.3549 117.9739 59.1834 29.5838 177.4250 42 V 3.4893 7.8863 119.9922 66.0990 31.3705 177.9277 43 L 3.9521 7.9027 118.7177 57.6341 41.3260 179.5963 44 K 3.8645 8.1205 119.4524 59.5373 32.2181 178.9454 45 L 3.9684 8.0492 119.3332 57.7096 41.2706 179.6036 46 I 3.5912 7.7870 119.0852 64.5135 37.1898 177.6526 47 D 4.4170 8.0401 117.6949 57.1856 41.0110 177.7022 48 E 4.2239 8.3438 119.3893 58.0653 31.0540 177.2336 49 Q 4.4499 7.8510 120.8326 52.7378 28.4067 173.7664 50 R 3.8969 8.1438 120.1141 57.8856 30.5863 176.5999 51 G 3.2849 7.3006 111.5034 45.1735 0.0000 173.3319 52 L 3.6977 7.3330 121.5784 55.7331 42.5263 176.2168 53 N 5.4505 8.3625 124.2178 51.7170 41.5605 175.5031 54 L 3.9001 8.4112 126.1384 58.4740 42.1154 179.0826 55 Q 3.9829 8.1325 118.8573 59.3309 28.9902 177.9396 56 D 4.3445 10.1342 120.1603 57.0251 40.7278 178.3087 57 L 4.0400 7.9794 120.2693 58.2336 42.3445 179.0506 58 G 3.7005 8.2211 105.5977 47.5966 0.0000 175.7918 59 R 3.9586 7.4885 119.9810 59.1964 30.2260 179.8633 60 Q 4.1117 8.1429 114.9761 56.0794 29.6323 176.7964 *62 C 4.4168 7.9447 114.1895 59.6067 29.3575 174.2702 63 R 4.6631 8.0969 117.1334 53.2214 34.3045 176.4131 64 D 4.5622 8.4631 121.3654 53.0416 41.3869 177.5489 65 K 3.8346 8.5258 120.6680 59.5663 32.2273 178.6029 66 A 3.9318 7.9448 120.4580 55.1610 18.4739 179.1778 67 L 3.8438 7.9459 118.1727 58.4709 42.2144 179.2898 68 I 3.7252 7.9397 119.8863 64.6806 37.0387 178.5958 69 T 3.8270 8.4398 116.9952 66.5760 68.2040 176.7292 70 R 3.8893 7.9845 120.7516 59.1359 30.0888 178.5177 71 K 3.9600 7.9143 119.3471 59.3365 32.0785 178.9920 72 I 3.6963 7.7610 120.3317 64.1978 36.9284 178.2444 73 R 3.9884 7.9979 119.5789 59.3444 29.3950 177.9639 74 E 3.8942 8.2380 119.0172 59.5826 29.6684 178.9748 75 L 4.0507 8.0300 118.6771 57.5514 41.5128 179.4756 76 E 4.3834 7.9626 120.6284 59.0105 29.2673 179.4942 77 G 3.7055 8.1213 104.4056 47.4863 0.0000 174.7382 78 R 4.3665 7.3152 116.8853 54.9341 30.3804 175.6488 79 N 4.2555 8.5021 116.4315 54.8125 38.1538 174.7576 80 L 4.5908 8.0215 117.6677 55.3199 43.8253 177.0906 81 V 5.1662 7.6269 110.1811 59.5542 36.8499 174.7025 82 R 4.7459 9.0244 118.1656 54.7611 32.6816 174.5103 83 R 4.8956 8.5317 121.9355 55.7052 31.7358 175.7967 84 E 4.6722 9.5285 123.6172 54.2536 33.0823 174.3242 85 R 3.6928 8.9551 127.4815 56.7820 30.8609 175.1760 86 N 4.5035 9.2068 126.4169 53.0308 39.1642 173.9861 87 P 4.2415 0.0000 0.0000 65.5836 31.6961 177.7573 88 S 4.1581 7.9656 114.0328 61.0009 62.4253 174.6192 89 D 4.4644 8.1497 117.9830 53.3605 39.9145 176.2555 90 Q 3.5146 8.0045 117.3006 56.8400 27.1904 173.6346 91 R 4.3265 9.0999 115.0295 57.7453 32.3910 176.6223 92 S 4.6384 7.8780 111.3296 57.8128 65.6435 172.2411 93 F 5.1187 8.6233 118.3364 55.6738 41.1853 175.3629 94 Q 4.5504 9.4473 124.0681 55.7904 29.7377 175.1832 95 L 5.1822 8.4734 122.4856 53.1101 44.5358 175.6688 96 F 5.1269 8.8462 120.5286 55.7247 43.6293 174.0356 97 L 4.9289 8.6710 120.9300 54.4510 43.1275 176.7432 98 T 4.3787 8.4114 112.7495 60.7061 71.0804 175.4236 99 D 4.3437 8.7302 120.5235 57.6151 40.6104 178.6974 100 E 4.1215 8.2139 119.4903 58.9234 29.6364 178.9442 101 G 3.5881 8.1074 106.0714 47.6171 0.0000 175.4607 102 L 3.9902 8.2663 123.0763 57.6899 42.1102 178.7923 103 A 3.9946 7.8449 120.1546 55.5277 18.3468 179.7293 104 I 3.7205 8.1960 118.4714 64.6186 37.1174 178.3264 105 H 4.1858 8.6121 119.5372 59.3173 29.7832 177.3717 106 Q 3.8862 8.3403 120.1137 59.1925 28.5527 178.3369 107 H 4.1860 8.3773 118.9572 59.2038 29.7159 177.0813 108 A 3.9078 8.0712 121.7532 55.2425 18.2914 178.8958 109 E 3.9406 8.4321 116.7706 59.2221 29.9813 178.6602 110 A 4.1826 7.8720 120.8647 54.9710 18.4269 180.5773 111 I 3.8698 7.6702 116.0333 61.9545 37.1063 178.4746 *113 S 4.2639 8.0134 117.2504 58.7103 64.8753 176.3842 114 R 3.8759 7.7486 119.2760 59.3689 29.7365 178.6579 115 V 3.5597 7.7404 118.1241 66.3094 31.5122 177.7304 116 H 4.1311 8.1046 115.4883 58.8097 28.5612 177.2870 117 D 4.4090 8.0116 120.6599 57.4081 40.4812 178.4328 118 E 3.8941 7.8883 118.3152 59.3033 29.6926 178.5841 119 L 3.9138 7.6169 117.8045 57.0674 41.8932 178.5909 120 F 4.9708 7.7219 115.1455 57.3823 39.6320 177.5550 121 A 4.1030 8.1005 122.0980 54.6707 18.2203 176.9022 122 P 4.4660 0.0000 0.0000 63.9570 31.6586 175.9122 123 L 4.8052 7.8895 120.7028 53.3015 43.3481 177.1766 124 T 4.1991 8.7980 114.0540 60.8741 70.9081 173.9481 125 P 4.1998 0.0000 0.0000 65.8140 31.2231 179.2281 126 V 3.5932 7.6861 116.6207 65.9131 31.5028 177.8065 127 E 3.9387 7.9590 118.4348 59.4618 29.3308 179.2634 128 Q 3.8996 8.3124 118.0047 59.0399 28.8257 178.9492 129 A 4.0009 8.0116 121.6515 55.3434 18.3346 179.8543 130 T 3.8121 8.1125 114.4759 66.6566 68.5469 176.6471 131 L 3.9080 8.2674 122.7137 58.0461 42.0950 179.1847 132 V 3.5272 7.7908 118.2046 66.2820 31.5031 177.5330 133 H 4.1028 8.3137 117.9521 59.1461 29.7061 177.3120 134 L 3.9954 8.1529 120.9151 57.6483 41.5855 179.3685 135 L 3.9540 7.9234 118.8611 58.0867 41.5878 179.3767 136 D 4.3818 8.1549 118.6475 57.3806 40.4551 178.8070 137 Q 3.9342 7.7482 117.7692 59.2587 28.7886 178.4876 138 C 4.3012 7.7759 116.4287 62.8978 28.2471 175.9173 139 L 4.1437 7.7426 118.7982 57.0992 41.3262 177.5194 140 A 4.2909 8.3679 124.9072 52.6993 18.4882 176.9789 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 N 8.42 4.68 0.00 2.67 2.85 0.00 0.00 6.97 6.57 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 3 Y 8.11 4.11 0.00 3.01 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 4 P 0.00 4.29 0.00 2.08 2.02 0.00 3.82 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 2.08 2.11 0.00 5 V 8.13 4.10 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 0.79 0.00 0.00 0.96 0.00 0.00 6 N 8.68 4.37 0.00 2.84 2.68 0.00 0.00 7.17 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 7 P 0.00 4.38 0.00 2.08 2.11 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 2.03 2.12 0.00 8 D 8.79 4.49 0.00 2.81 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 9 L 7.71 3.74 0.00 1.89 1.67 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 *11 P 0.00 4.27 0.00 2.05 2.14 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.09 0.00 12 A 8.01 4.08 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 13 L 7.98 3.49 0.00 1.63 1.49 0.35 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 *15 A 8.13 4.27 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 16 V 7.74 3.59 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 1.15 0.00 0.00 0.93 0.00 0.00 17 F 8.00 4.59 0.00 3.15 2.97 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 0.00 0.00 0.00 18 Q 8.19 4.00 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 19 H 8.42 4.16 0.00 3.29 3.47 0.00 5.85 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.11 3.43 2.33 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 0.98 0.00 0.00 1.03 0.00 0.00 21 R 8.16 3.88 0.00 2.02 2.09 0.00 3.16 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 22 T 7.99 3.86 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 1.21 0.00 0.00 23 R 7.84 3.88 0.00 1.71 1.89 0.00 3.28 0.00 0.00 3.47 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 24 I 7.67 3.64 1.85 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 1.52 0.75 0.90 0.00 0.00 25 Q 8.07 3.94 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 26 S 8.15 4.14 0.00 3.89 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 27 E 8.21 4.00 0.00 1.97 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 2.47 2.46 0.00 28 L 7.93 4.03 0.00 1.82 1.69 0.95 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.29 4.44 0.00 2.83 2.71 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 30 C 7.50 4.14 0.00 3.05 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 31 Q 7.76 4.19 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.55 0.00 0.00 0.00 0.00 0.00 2.56 2.35 0.00 32 R 7.41 3.72 0.00 2.03 1.99 0.00 3.06 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 33 L 7.82 4.14 0.00 1.67 1.74 0.81 0.87 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 34 D 7.98 4.38 0.00 2.75 2.67 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 0.00 0.00 0.00 0.00 35 L 7.70 4.97 0.00 1.61 1.50 0.92 0.92 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 36 T 8.33 5.04 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 1.20 0.00 0.00 37 P 0.00 4.26 0.00 2.16 2.14 0.00 3.59 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 38 P 0.00 4.29 0.00 2.15 2.10 0.00 3.53 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 39 D 7.89 4.34 0.00 2.86 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 40 V 7.80 3.62 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 1.02 0.00 0.00 0.93 0.00 0.00 41 H 8.35 4.25 0.00 3.35 3.45 0.00 5.66 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.89 3.49 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 1.02 0.00 0.00 0.94 0.00 0.00 43 L 7.90 3.95 0.00 1.92 1.71 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.12 3.86 0.00 2.02 2.12 0.00 1.70 0.00 0.00 1.99 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.56 7.81 45 L 8.05 3.97 0.00 1.80 1.64 0.73 0.77 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 46 I 7.79 3.59 1.95 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 1.33 0.58 0.87 0.00 0.00 47 D 8.04 4.42 0.00 2.52 2.69 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 48 E 8.34 4.22 0.00 2.30 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 2.33 2.36 0.00 49 Q 7.85 4.45 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.64 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 50 R 8.14 3.90 0.00 1.80 1.90 0.00 3.43 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.92 0.00 51 G 7.30 3.28 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 52 L 7.33 3.70 0.00 1.90 1.45 0.90 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.36 5.45 0.00 2.80 2.63 0.00 0.00 7.31 6.66 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 54 L 8.41 3.90 0.00 1.83 1.70 0.88 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 8.13 3.98 0.00 2.14 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.71 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 56 D 10.13 4.34 0.00 2.83 2.67 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 0.00 0.00 0.00 0.00 57 L 7.98 4.04 0.00 1.56 1.84 0.85 1.11 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 58 G 8.22 3.70 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 0.00 0.00 0.00 59 R 7.49 3.96 0.00 1.86 2.09 0.00 3.31 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 60 Q 8.14 4.11 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 *62 C 7.94 4.42 0.00 2.98 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 63 R 8.10 4.66 0.00 1.72 1.74 0.00 3.32 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 64 D 8.46 4.56 0.00 2.86 2.80 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 65 K 8.53 3.83 0.00 1.83 1.83 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.50 7.81 66 A 7.94 3.93 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 67 L 7.95 3.84 0.00 2.05 1.78 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.94 3.73 2.07 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 1.50 0.63 0.92 0.00 0.00 69 T 8.44 3.83 4.20 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 1.08 0.00 0.00 70 R 7.98 3.89 0.00 2.04 2.04 0.00 3.07 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 71 K 7.91 3.96 0.00 1.93 1.93 0.00 1.71 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.50 7.81 72 I 7.76 3.70 1.98 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 1.55 0.77 0.87 0.00 0.00 73 R 8.00 3.99 0.00 2.08 1.89 0.00 3.04 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 74 E 8.24 3.89 0.00 2.13 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 0.00 2.30 2.35 0.00 75 L 8.03 4.05 0.00 1.87 1.70 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 76 E 7.96 4.38 0.00 2.22 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 2.52 2.39 0.00 77 G 8.12 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 78 R 7.32 4.37 0.00 1.96 1.97 0.00 3.32 0.00 0.00 3.15 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 79 N 8.50 4.26 0.00 2.78 2.87 0.00 0.00 7.03 8.44 0.00 0.00 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 L 8.02 4.59 0.00 1.66 1.69 0.93 0.70 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 81 V 7.63 5.17 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 0.94 0.00 0.00 82 R 9.02 4.75 0.00 1.87 2.02 0.00 2.78 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 83 R 8.53 4.90 0.00 1.90 2.12 0.00 2.66 0.00 0.00 2.94 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 84 E 9.53 4.67 0.00 2.17 2.05 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 2.25 2.29 0.00 85 R 8.96 3.69 0.00 1.76 1.72 0.00 3.17 0.00 0.00 2.55 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.42 0.00 86 N 9.21 4.50 0.00 2.78 2.87 0.00 0.00 6.52 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 87 P 0.00 4.24 0.00 2.20 2.15 0.00 3.83 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 88 S 7.97 4.16 0.00 3.87 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 89 D 8.15 4.46 0.00 2.80 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 90 Q 8.00 3.51 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 91 R 9.10 4.33 0.00 1.68 1.90 0.00 3.14 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 92 S 7.88 4.64 0.00 3.93 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 93 F 8.62 5.12 0.00 3.01 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 94 Q 9.45 4.55 0.00 2.18 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 95 L 8.47 5.18 0.00 1.43 1.47 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 96 F 8.85 5.13 0.00 3.02 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 97 L 8.67 4.93 0.00 1.58 1.62 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.41 4.38 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 1.28 0.00 0.00 99 D 8.73 4.34 0.00 2.72 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 0.00 100 E 8.21 4.12 0.00 2.04 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 2.39 2.38 0.00 101 G 8.11 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.27 3.99 0.00 1.79 1.85 0.99 1.42 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 0.00 103 A 7.84 3.99 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 0.00 104 I 8.20 3.72 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 1.43 0.92 0.93 0.00 0.00 105 H 8.61 4.19 0.00 3.28 3.60 0.00 5.79 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 0.00 106 Q 8.34 3.89 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 107 H 8.38 4.19 0.00 3.19 3.27 0.00 5.61 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.07 3.91 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 0.00 109 E 8.43 3.94 0.00 1.92 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 2.27 2.34 0.00 110 A 7.87 4.18 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 0.00 111 I 7.67 3.87 1.97 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 1.48 0.70 0.87 0.00 0.00 *113 S 8.01 4.26 0.00 4.05 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 0.00 114 R 7.75 3.88 0.00 1.88 2.03 0.00 3.09 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 115 V 7.74 3.56 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 0.92 0.00 0.00 0.91 0.00 0.00 116 H 8.10 4.13 0.00 3.45 3.51 0.00 5.70 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 0.00 117 D 8.01 4.41 0.00 2.91 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 0.00 118 E 7.89 3.89 0.00 1.94 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 2.27 2.33 0.00 119 L 7.62 3.91 0.00 0.60 0.77 0.66 0.45 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 0.00 120 F 7.72 4.97 0.00 3.15 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 0.00 121 A 8.10 4.10 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 0.00 122 P 0.00 4.47 0.00 2.21 2.20 0.00 3.65 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 2.03 1.99 0.00 123 L 7.89 4.81 0.00 1.89 1.65 1.03 0.77 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 0.00 124 T 8.80 4.20 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 1.22 0.00 0.00 125 P 0.00 4.20 0.00 2.18 2.15 0.00 3.60 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 2.12 2.16 0.00 126 V 7.69 3.59 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 1.13 0.00 0.00 0.92 0.00 0.00 127 E 7.96 3.94 0.00 2.15 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 2.32 2.35 0.00 128 Q 8.31 3.90 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 129 A 8.01 4.00 1.34 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 0.00 130 T 8.11 3.81 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 1.19 0.00 0.00 131 L 8.27 3.91 0.00 1.77 1.78 0.88 0.71 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 0.00 132 V 7.79 3.53 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 0.93 0.00 0.00 0.87 0.00 0.00 133 H 8.31 4.10 0.00 3.37 3.43 0.00 5.83 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 0.00 134 L 8.15 4.00 0.00 1.72 1.68 0.90 0.49 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 0.00 135 L 7.92 3.95 0.00 1.84 1.72 0.93 0.84 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 0.00 136 D 8.15 4.38 0.00 2.62 2.67 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 0.00 0.00 0.00 0.00 137 Q 7.75 3.93 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.96 0.00 0.00 0.00 0.00 0.00 2.36 2.25 0.00 138 C 7.78 4.30 0.00 3.17 3.01 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 0.00 139 L 7.74 4.14 0.00 1.74 1.73 0.94 0.70 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 0.00 140 A 8.37 4.29 1.34 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 * Residues marked with a * may have inaccurate shift predictions.