NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.7098 8.1693 120.5793 54.8071 43.2258 175.4656 3 I 4.5692 8.5729 114.8802 58.8682 41.5141 172.4255 4 S 5.1720 9.3521 120.5243 57.7089 64.4954 175.3257 5 V 4.7108 8.9039 116.9574 58.9930 36.2035 174.7188 6 L 4.0648 8.7420 125.1067 55.6248 42.1100 176.0952 7 K 4.4549 9.1422 127.4130 57.7455 34.6150 175.9950 8 S 5.1667 7.4923 110.9085 56.9718 68.0000 173.5094 9 K 4.8143 9.1202 124.1287 55.0691 35.9221 174.6175 10 I 4.8368 9.0408 128.6760 59.8168 39.3524 174.6464 11 S 4.6944 9.0019 123.8374 57.1261 65.5668 174.0965 12 Y 3.6863 8.5590 119.5965 59.1128 34.9283 169.9491 13 A 4.3118 8.1561 122.3616 52.0919 19.7129 177.8089 14 T 4.8841 8.4484 120.0587 62.4063 69.9915 175.2382 15 V 3.9323 8.8918 128.0086 63.6942 31.8952 176.2598 16 T 4.3785 8.8838 118.3337 62.4216 70.5939 174.4733 17 G 4.3538 7.8199 107.7036 45.5382 0.0000 172.1589 18 K 5.2755 8.2104 118.1260 56.1476 35.7439 175.3672 19 D 4.4684 8.5617 122.1982 52.6295 43.3106 174.9173 20 L 3.8482 8.6806 128.8932 57.0679 42.9344 177.5287 21 F 4.9099 7.4970 117.4879 56.2471 37.7037 175.2019 22 Y 4.3899 7.6864 121.9622 57.7393 40.0157 175.6226 23 V 4.1584 7.1648 126.1665 62.1125 32.4381 174.0403 *25 S 4.5449 7.5232 114.3955 58.1137 65.3509 171.8850 26 I 4.7116 7.5568 119.0217 60.0218 40.4565 175.6128 27 T 4.9884 8.8271 126.7348 62.3094 70.4484 173.8095 28 I 4.9346 8.2637 126.7132 59.5042 41.0980 174.0241 29 D 4.7583 8.8729 125.6767 53.9623 41.1065 178.0552 30 S 4.2064 8.6790 121.6522 61.2107 63.5524 175.6956 31 E 4.1316 8.7661 121.2867 59.3534 29.5858 179.6341 32 I 3.6732 7.6480 118.1273 61.5517 36.7147 177.9256 *34 K 4.1973 8.2375 123.1933 56.6374 33.6434 177.6517 35 Q 3.9227 8.0551 116.1449 58.7617 28.6100 177.3816 36 A 4.2853 7.8705 117.5264 51.2868 19.1257 176.1445 37 N 4.1458 7.6370 113.4771 54.6959 37.9696 173.8294 38 I 4.5946 7.7521 116.1558 59.2446 39.6047 175.6598 39 I 4.4430 8.4236 118.2843 58.4545 39.7275 174.7321 40 E 4.0914 8.4669 122.0839 58.0103 29.7618 176.7885 41 N 4.5560 9.4369 121.7573 53.4860 37.3487 174.1480 42 E 4.2164 7.9194 120.5483 55.8134 30.9505 175.8588 43 K 4.7850 8.6276 127.6380 56.6646 33.2037 176.2944 44 V 4.7493 8.9861 119.6469 59.6636 36.4919 174.0763 45 Q 4.8825 9.0986 125.2128 55.2592 30.8477 174.4612 46 V 4.8194 8.9696 126.5322 61.2236 34.1784 174.4933 47 V 4.9554 8.8392 121.0035 59.4686 35.5286 174.0601 48 N 5.0952 8.5721 123.1801 51.7975 40.2361 175.3004 49 L 3.8146 8.6860 127.6057 57.8001 41.8740 178.9322 50 N 4.4232 8.7046 116.5454 55.7501 38.5567 175.8069 51 N 4.6902 8.2920 111.1012 51.8561 38.3292 175.5451 52 G 3.9069 8.2902 107.3155 45.4653 0.0000 173.9103 53 E 4.1743 8.5167 120.4492 56.5631 30.7361 176.2445 54 R 5.2556 8.4110 121.4900 54.3964 33.5566 174.5048 55 L 4.7683 8.9241 122.7250 54.5663 44.6515 174.2706 56 E 5.1649 8.6155 118.5099 55.3075 32.2849 175.6569 57 T 4.6742 8.5999 117.3595 61.5042 71.1200 171.3700 58 Y 5.3321 8.1595 117.0280 55.3740 42.1133 174.3862 59 V 4.6390 8.4094 119.9346 61.8993 33.4747 174.5853 60 I 4.8915 8.5583 128.5115 59.1383 40.0732 175.1797 61 K 4.3813 9.1997 126.6478 56.6240 32.7384 177.2056 62 G 4.1265 9.0045 112.5609 44.3456 0.0000 172.6153 63 E 4.5982 8.5572 119.4989 55.2196 30.6498 175.4289 64 P 4.5205 0.0000 0.0000 64.2656 31.8295 175.7950 65 N 4.3237 9.1444 117.0769 54.1795 36.0728 175.3572 66 S 4.2145 7.9550 113.8788 58.9255 63.4887 174.9698 67 K 3.8860 8.6869 118.8476 57.3310 30.1630 175.3014 68 T 4.0193 7.6944 116.5973 63.9998 69.5216 173.6257 69 I 5.0119 8.8563 126.2474 59.6143 40.9799 174.0699 70 A 5.5148 8.8779 128.8083 48.8843 22.6676 174.3098 71 L 4.8758 8.4722 122.1770 53.3181 43.5710 175.5343 72 N 5.1172 8.7580 121.7183 52.3714 41.6068 176.9566 73 G 4.2108 8.5280 108.5852 45.2178 0.0000 172.7941 74 P 4.1257 0.0000 0.0000 65.5421 31.1690 178.1205 75 A 3.9745 8.0119 118.8737 54.8078 17.8305 179.0370 76 A 3.8609 8.0727 119.6454 55.4698 18.1397 179.4950 77 R 4.1524 7.9062 114.3423 57.7620 30.1504 177.4787 78 R 4.5110 7.5803 117.4973 55.5597 30.3378 174.9707 79 C 4.7966 7.3673 110.9909 57.4645 32.8665 172.6045 80 E 4.7508 9.0104 118.3201 53.9537 32.9383 175.7083 81 I 3.8304 8.2029 121.5518 63.4155 37.4776 176.7261 82 G 4.0243 8.8799 113.9985 45.1038 0.0000 173.7041 83 D 4.5473 7.8991 119.8726 54.5904 42.2981 175.2837 84 Q 4.9752 8.5569 120.3602 54.6249 30.9071 174.6596 85 L 5.1503 9.0335 123.8369 52.9610 45.4750 175.2439 86 F 5.6040 8.8021 120.4370 56.0265 41.7793 174.8310 87 I 4.9278 8.9839 123.8272 59.6056 40.1651 174.5384 88 I 4.9713 8.8880 128.1321 59.2785 40.6272 174.7714 89 S 4.9731 8.8459 120.6842 56.7153 66.0744 172.6576 90 Y 5.1999 8.5910 118.6026 56.6631 41.2392 174.6722 91 T 4.7555 9.0722 114.7005 60.6646 71.4037 172.4176 92 Q 4.9957 8.7119 126.4464 55.2105 29.9377 175.5159 93 V 4.5759 8.8132 116.5950 59.3052 37.0596 174.4853 94 D 4.6624 8.5975 122.8690 53.4098 41.2537 175.2353 95 P 4.5458 0.0000 0.0000 64.4351 31.8255 177.3385 96 T 3.9966 8.0565 109.1775 63.7500 68.9602 174.9603 97 R 4.2545 7.6221 123.6462 55.4932 31.1130 176.4425 98 E 4.1151 8.5467 117.2558 56.4901 30.1461 175.3015 99 N 4.5438 8.4593 117.9651 52.2350 38.2746 175.5515 100 I 3.8757 8.2237 123.7433 60.2890 37.6041 175.5312 101 K 4.3015 8.4878 127.6757 54.1897 32.2675 174.1890 102 P 4.6023 0.0000 0.0000 62.6130 32.4792 175.8586 103 K 4.2410 8.7822 124.2364 55.9300 33.2282 175.2479 104 L 5.0007 8.4907 127.7988 52.9359 43.9770 176.0233 105 V 4.2239 8.8743 124.9384 61.1729 33.7898 173.7251 106 D 5.2061 8.7056 128.5433 52.9326 41.8691 175.7568 107 L 4.4441 9.0122 126.2706 54.8123 42.6224 177.1553 108 K 4.0458 8.3431 125.6191 56.6177 32.0076 176.1201 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 8.17 4.71 0.00 1.55 1.67 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.57 4.57 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 1.23 1.34 0.91 0.00 0.00 4 S 9.35 5.17 0.00 3.66 3.73 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 5 V 8.90 4.71 2.13 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 0.74 0.00 0.00 1.03 0.00 0.00 6 L 8.74 4.06 0.00 1.64 1.57 0.65 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 7 K 9.14 4.45 0.00 1.83 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.38 7.81 8 S 7.49 5.17 0.00 3.70 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 9 K 9.12 4.81 0.00 1.60 1.43 0.00 1.40 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.04 1.21 7.81 10 I 9.04 4.84 1.85 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 1.20 0.43 0.91 0.00 0.00 11 S 9.00 4.69 0.00 3.64 3.36 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 12 Y 8.56 3.69 0.00 3.32 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 13 A 8.16 4.31 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 14 T 8.45 4.88 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 1.28 0.00 0.00 15 V 8.89 3.93 2.19 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 1.08 0.00 0.00 0.96 0.00 0.00 16 T 8.88 4.38 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 1.33 0.00 0.00 17 G 7.82 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 18 K 8.21 5.28 0.00 1.73 1.70 0.00 1.11 0.00 0.00 2.61 0.00 0.00 2.65 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.26 7.81 19 D 8.56 4.47 0.00 2.82 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 20 L 8.68 3.85 0.00 1.58 1.27 0.66 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 21 F 7.50 4.91 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.69 4.39 0.00 2.86 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 23 V 7.16 4.16 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 0.82 0.00 0.00 0.90 0.00 0.00 *25 S 7.52 4.54 0.00 2.99 2.91 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 26 I 7.56 4.71 1.74 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.48 0.81 0.00 0.00 27 T 8.83 4.99 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 1.25 0.00 0.00 28 I 8.26 4.93 1.86 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 1.09 0.65 0.90 0.00 0.00 29 D 8.87 4.76 0.00 2.82 2.56 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 0.00 0.00 0.00 0.00 30 S 8.68 4.21 0.00 4.06 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.77 4.13 0.00 2.17 2.04 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 2.33 2.43 0.00 32 I 7.65 3.67 2.01 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 1.19 1.02 0.91 0.00 0.00 *34 K 8.24 4.20 0.00 2.01 1.84 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.47 7.81 35 Q 8.06 3.92 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 36 A 7.87 4.29 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 37 N 7.64 4.15 0.00 2.83 2.84 0.00 0.00 7.00 7.95 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 38 I 7.75 4.59 1.86 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 1.45 0.89 0.91 0.00 0.00 39 I 8.42 4.44 1.88 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 1.39 0.71 0.92 0.00 0.00 40 E 8.47 4.09 0.00 1.98 1.94 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 2.37 2.54 0.00 41 N 9.44 4.56 0.00 2.89 2.91 0.00 0.00 6.95 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 42 E 7.92 4.22 0.00 2.20 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 2.33 2.28 0.00 43 K 8.63 4.79 0.00 1.87 1.75 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.49 1.54 7.81 44 V 8.99 4.75 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 0.72 0.00 0.00 0.92 0.00 0.00 45 Q 9.10 4.88 0.00 2.28 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 46 V 8.97 4.82 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 0.89 0.00 0.00 0.90 0.00 0.00 47 V 8.84 4.96 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 0.70 0.00 0.00 1.00 0.00 0.00 48 N 8.57 5.10 0.00 2.69 2.70 0.00 0.00 7.07 6.08 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 49 L 8.69 3.81 0.00 1.51 1.59 0.59 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.70 4.42 0.00 2.84 2.84 0.00 0.00 6.85 8.04 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 51 N 8.29 4.69 0.00 2.75 2.86 0.00 0.00 6.06 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 52 G 8.29 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 53 E 8.52 4.17 0.00 1.93 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 2.39 2.55 0.00 54 R 8.41 5.26 0.00 1.63 1.79 0.00 3.18 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.75 0.00 55 L 8.92 4.77 0.00 1.70 1.69 0.88 0.46 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 56 E 8.62 5.16 0.00 1.86 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 2.25 2.29 0.00 57 T 8.60 4.67 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 58 Y 8.16 5.33 0.00 3.02 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 59 V 8.41 4.64 2.13 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 0.81 0.00 0.00 0.93 0.00 0.00 60 I 8.56 4.89 1.78 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 1.40 0.65 1.00 0.00 0.00 61 K 9.20 4.38 0.00 1.77 1.77 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.43 7.81 62 G 9.00 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 63 E 8.56 4.60 0.00 1.92 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 0.00 2.42 2.27 0.00 64 P 0.00 4.52 0.00 2.18 2.06 0.00 3.91 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 1.99 2.00 0.00 65 N 9.14 4.32 0.00 2.90 2.96 0.00 0.00 7.05 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 66 S 7.95 4.21 0.00 3.99 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 67 K 8.69 3.89 0.00 1.92 1.94 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.40 7.81 68 T 7.69 4.02 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 69 I 8.86 5.01 2.07 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 1.33 1.12 0.89 0.00 0.00 70 A 8.88 5.51 1.16 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 71 L 8.47 4.88 0.00 1.53 1.50 0.92 0.57 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 72 N 8.76 5.12 0.00 2.10 2.27 0.00 0.00 7.07 7.20 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 73 G 8.53 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 0.00 0.00 0.00 0.00 74 P 0.00 4.13 0.00 2.13 2.09 0.00 3.58 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 2.11 2.13 0.00 75 A 8.01 3.97 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 76 A 8.07 3.86 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 77 R 7.91 4.15 0.00 1.88 1.96 0.00 3.09 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 78 R 7.58 4.51 0.00 1.84 1.88 0.00 3.52 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 79 C 7.37 4.80 0.00 3.04 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 80 E 9.01 4.75 0.00 1.94 1.80 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 2.19 2.37 0.00 81 I 8.20 3.83 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 1.34 0.45 0.96 0.00 0.00 82 G 8.88 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 0.00 0.00 0.00 83 D 7.90 4.55 0.00 2.68 2.56 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 0.00 0.00 0.00 0.00 84 Q 8.56 4.98 0.00 1.93 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 85 L 9.03 5.15 0.00 1.52 1.51 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 86 F 8.80 5.60 0.00 2.77 2.66 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 0.00 0.00 0.00 0.00 87 I 8.98 4.93 1.85 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 1.21 0.74 0.89 0.00 0.00 88 I 8.89 4.97 1.78 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.78 0.26 0.00 0.00 89 S 8.85 4.97 0.00 3.89 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 90 Y 8.59 5.20 0.00 2.86 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 91 T 9.07 4.76 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 1.28 0.00 0.00 92 Q 8.71 5.00 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 93 V 8.81 4.58 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 0.71 0.00 0.00 1.00 0.00 0.00 94 D 8.60 4.66 0.00 2.68 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 95 P 0.00 4.55 0.00 2.22 2.16 0.00 3.82 0.00 0.00 3.87 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 96 T 8.06 4.00 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 1.26 0.00 0.00 97 R 7.62 4.25 0.00 2.09 1.93 0.00 3.17 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 1.66 1.57 0.00 98 E 8.55 4.12 0.00 1.98 1.74 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 2.23 1.88 0.00 99 N 8.46 4.54 0.00 2.73 2.64 0.00 0.00 6.77 7.72 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 0.00 100 I 8.22 3.88 1.88 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 1.31 1.23 0.91 0.00 0.00 101 K 8.49 4.30 0.00 1.70 1.72 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.40 7.81 102 P 0.00 4.60 0.00 2.06 2.14 0.00 3.79 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 1.95 1.93 0.00 103 K 8.78 4.24 0.00 1.89 1.70 0.00 1.45 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.46 7.81 104 L 8.49 5.00 0.00 1.49 1.49 0.87 0.81 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 0.00 105 V 8.87 4.22 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 0.93 0.00 0.00 0.91 0.00 0.00 106 D 8.71 5.21 0.00 2.72 2.57 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 0.00 0.00 0.00 0.00 107 L 9.01 4.44 0.00 1.93 1.75 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.34 4.05 0.00 1.42 1.52 0.00 0.61 0.00 0.00 1.33 0.00 0.00 2.49 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.20 0.97 7.81 * Residues marked with a * may have inaccurate shift predictions.