NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3533 8.3149 120.0850 55.8984 35.0323 175.5509 4 I 4.6824 7.2360 121.5437 58.3867 38.9375 173.2955 5 R 5.7543 9.0344 127.7266 53.7916 32.9053 174.0733 6 I 5.0958 8.3806 118.6677 59.2634 40.6524 174.7998 7 K 4.4156 8.9173 125.6755 55.5019 34.4635 175.7490 8 L 4.8943 8.7998 122.5736 53.0200 42.9595 175.9849 9 R 4.8237 8.7655 122.3150 54.2248 32.7140 175.5094 10 G 4.0753 7.3276 107.8996 46.9165 0.0000 173.8176 11 F 4.9827 8.3425 118.0264 59.7196 39.7913 176.3859 12 D 4.6734 8.0356 121.6776 53.5665 41.6124 176.3159 13 H 4.2696 8.8690 122.9204 58.3577 29.0598 177.4218 14 K 3.8437 7.6154 117.8210 58.0677 32.3890 177.4010 15 T 4.3752 7.6658 108.2584 63.2249 70.1415 175.8882 16 L 4.0481 7.7841 121.5173 56.5836 42.2671 177.9370 17 D 4.4692 8.3724 118.1787 57.3611 41.0163 177.9691 18 A 4.3247 7.8961 120.1187 54.4782 18.1941 178.6181 19 S 4.3629 7.9095 111.7500 59.3590 63.4277 175.3363 20 A 4.4030 8.2142 124.3714 54.3780 19.6231 179.1457 21 Q 3.9800 7.9503 117.1414 58.7100 29.0714 178.3417 22 K 3.8912 7.6816 120.1854 59.7263 32.1742 178.8220 23 I 4.0976 7.5984 117.3883 63.4199 37.1250 178.0572 24 V 3.7675 7.7256 119.9868 65.6599 31.3641 177.4872 25 E 4.0576 8.2816 117.6179 58.1411 29.3872 177.7497 26 A 4.6088 8.3141 119.5116 51.9519 18.8190 177.4697 27 A 4.6325 8.2709 123.3280 54.8281 25.2193 179.5483 28 R 4.0533 7.5902 113.7285 57.8176 30.0863 177.2959 29 R 4.5080 7.7773 113.0455 56.4248 31.4793 177.1674 30 S 4.3683 8.0743 113.6345 59.4910 63.5703 173.4417 31 G 4.2470 8.7742 107.7021 42.9622 0.0000 173.3301 32 A 4.3684 8.1470 122.7741 51.8229 18.6199 177.2848 33 Q 4.2686 8.5834 113.4175 56.7215 30.3867 175.9095 34 V 4.5795 8.0636 121.1557 60.6712 34.2566 175.0626 35 S 4.0868 8.8218 123.3956 58.7473 62.9380 174.7273 36 G 3.9121 8.9042 113.9023 44.0249 0.0000 170.6654 37 P 4.3987 0.0000 0.0000 62.7820 31.5769 176.0258 38 I 4.2742 8.8491 120.9203 59.0022 39.1649 173.3630 39 P 4.9763 0.0000 0.0000 61.6518 31.7182 176.0771 40 L 4.4166 9.0004 125.8511 53.1555 42.6582 175.6477 41 P 4.2452 0.0000 0.0000 63.3325 31.6582 176.5169 42 T 4.2430 8.5082 119.1904 63.9020 70.1917 172.9010 43 R 4.5788 9.0939 122.9157 54.6284 32.4139 175.5409 44 V 4.4442 8.3741 123.6817 61.4807 33.6597 176.0558 45 R 4.7800 7.9680 124.9414 54.9119 30.3951 173.9660 46 R 4.6132 8.0721 120.0184 56.3055 31.7594 177.0276 47 F 4.5004 9.7213 121.2474 56.1862 42.0092 173.9794 48 T 4.8463 8.4071 120.8702 62.3071 70.0665 174.7389 49 V 4.5783 8.0864 123.7334 60.6359 35.5696 172.9653 50 I 4.4882 8.1104 115.0863 59.4064 38.8231 175.5192 51 R 4.0711 9.0631 125.1272 59.2153 30.0627 177.5574 52 G 3.8563 7.8949 105.2099 44.8962 0.0000 171.7510 53 P 4.4825 0.0000 0.0000 63.6446 31.4617 175.2688 54 F 4.9066 7.5054 117.8687 58.2907 42.2724 175.2503 55 K 4.2500 7.5947 131.1205 56.6899 33.7924 176.6654 56 H 4.7641 8.6488 126.1785 56.7654 29.7375 176.8810 57 K 4.2496 7.3270 121.1259 58.4030 33.5082 174.8525 58 D 4.9077 8.5669 120.1935 56.5095 43.1930 177.4183 59 S 3.6203 7.7150 110.1183 60.6182 60.4214 172.6513 60 R 4.5870 7.1532 124.6344 55.7944 31.1846 175.6844 61 E 4.6105 8.4466 116.2722 55.4677 33.0567 174.3458 62 H 4.5094 8.3429 119.8660 54.1256 32.0138 172.5358 63 F 5.4906 7.6978 119.2732 56.5767 42.6353 173.6227 64 E 5.2690 8.8333 115.0639 56.0917 32.1201 174.8623 65 L 4.4035 8.5989 124.0331 53.4347 43.5184 175.3361 66 R 4.5536 8.3432 125.4561 56.3053 31.3855 177.2045 67 T 4.8292 9.1135 119.8148 61.9586 69.8247 172.1375 68 H 4.8093 8.8674 122.6337 54.8239 30.6782 173.8661 69 N 5.3131 8.8215 119.0229 51.5791 41.6987 173.4525 70 R 5.0799 8.7769 122.6764 54.2114 33.8372 174.6649 71 L 5.0669 9.4849 124.9140 53.4538 45.5378 175.3413 72 V 4.8084 8.3021 123.9361 61.6969 35.4430 173.1627 73 D 5.1960 9.0267 126.4433 52.4839 45.0969 174.4711 74 I 4.7454 8.1851 114.2981 59.5956 40.0629 176.0103 75 I 3.7321 8.2023 118.7068 63.1469 38.0833 176.1932 76 N 4.6566 7.9373 127.6119 50.0830 38.6617 174.6612 77 P 4.5946 0.0000 0.0000 62.6378 29.3657 176.2034 78 N 4.4317 7.7173 119.6431 54.2108 39.6857 175.5932 79 R 4.0449 8.5658 123.7104 58.0681 30.4343 177.6754 80 K 4.1068 9.2184 119.0716 57.2974 32.8922 177.0178 81 T 4.3353 7.9692 114.9037 66.0888 69.5778 176.2593 82 I 4.0591 7.1503 118.5448 61.8547 36.4176 176.1823 83 E 4.2475 7.4503 121.0142 58.1432 29.9757 177.4648 84 Q 4.0458 7.2623 118.2597 56.9181 29.3963 178.3562 85 L 3.8906 8.2969 118.7214 58.6258 42.4372 179.4740 86 M 3.9775 8.0834 116.3977 58.6918 32.1303 176.8273 87 T 5.1366 7.5657 102.9136 61.1874 71.6216 174.2262 88 L 4.4174 8.5988 125.2149 55.3577 42.0158 176.2357 89 D 4.3960 8.4526 118.6986 54.3793 41.0264 177.0155 90 L 5.1604 8.2641 128.8694 53.6249 42.5870 174.2447 91 P 4.7697 0.0000 0.0000 61.5622 33.2266 174.5816 92 T 4.3807 8.7090 116.4000 63.0069 68.7590 175.3060 93 G 4.2445 7.8168 108.1489 44.9922 0.0000 171.9676 94 V 4.4641 7.7670 118.2654 60.7323 34.4535 174.1052 95 E 4.8119 8.6949 128.3205 54.8687 32.2287 174.3059 96 I 5.2305 7.8928 115.0318 59.1378 40.7823 173.8092 97 E 4.8947 8.7307 122.1218 54.9011 33.5847 175.0093 98 I 5.0976 8.0831 121.6943 60.1960 41.2405 174.3993 99 K 4.6264 8.9659 125.4550 55.3999 37.4549 176.0356 100 T 4.7204 8.0246 113.2677 64.0167 70.8000 175.3163 *101 V 3.8961 7.8201 121.7190 60.8283 32.4044 176.5311 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 3 K 8.31 4.35 0.00 1.66 1.94 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.70 7.81 4 I 7.24 4.68 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 1.09 1.63 0.91 0.00 0.00 5 R 9.03 5.75 0.00 1.85 1.75 0.00 3.07 0.00 0.00 3.31 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.78 0.00 6 I 8.38 5.10 1.86 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 1.22 1.08 0.91 0.00 0.00 7 K 8.92 4.42 0.00 1.67 1.74 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.40 1.55 7.81 8 L 8.80 4.89 0.00 1.72 1.53 0.99 1.21 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 9 R 8.77 4.82 0.00 1.65 1.77 0.00 3.25 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.55 0.00 10 G 7.33 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 11 F 8.34 4.98 0.00 3.08 3.03 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 0.00 0.00 0.00 12 D 8.04 4.67 0.00 2.77 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 13 H 8.87 4.27 0.00 3.27 3.17 0.00 5.52 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.62 3.84 0.00 1.76 1.82 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 0.91 7.81 15 T 7.67 4.38 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 1.27 0.00 0.00 16 L 7.78 4.05 0.00 1.77 1.82 1.00 1.07 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 17 D 8.37 4.47 0.00 2.90 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 18 A 7.90 4.32 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 19 S 7.91 4.36 0.00 4.02 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 20 A 8.21 4.40 1.30 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 0.00 0.00 21 Q 7.95 3.98 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.86 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 22 K 7.68 3.89 0.00 2.13 1.78 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.62 7.81 23 I 7.60 4.10 1.87 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 1.52 0.71 0.91 0.00 0.00 24 V 7.73 3.77 2.23 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 1.03 0.00 0.00 0.99 0.00 0.00 25 E 8.28 4.06 0.00 2.06 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 2.29 2.46 0.00 26 A 8.31 4.61 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.27 4.63 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 28 R 7.59 4.05 0.00 1.88 2.00 0.00 3.12 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 29 R 7.78 4.51 0.00 1.88 2.01 0.00 3.02 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 30 S 8.07 4.37 0.00 3.88 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 31 G 8.77 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 0.00 0.00 0.00 0.00 32 A 8.15 4.37 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.58 4.27 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 34 V 8.06 4.58 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 0.90 0.00 0.00 0.96 0.00 0.00 35 S 8.82 4.09 0.00 3.93 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 36 G 8.90 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 37 P 0.00 4.40 0.00 1.95 2.06 0.00 3.67 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 2.03 2.09 0.00 38 I 8.85 4.27 1.88 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 1.48 0.84 0.97 0.00 0.00 39 P 0.00 4.98 0.00 2.11 2.14 0.00 3.77 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 40 L 9.00 4.42 0.00 1.62 1.65 0.93 1.19 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 41 P 0.00 4.25 0.00 2.18 2.09 0.00 3.78 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 2.00 2.00 0.00 42 T 8.51 4.24 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 43 R 9.09 4.58 0.00 1.71 1.86 0.00 3.28 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 44 V 8.37 4.44 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 0.77 0.00 0.00 0.93 0.00 0.00 45 R 7.97 4.78 0.00 1.86 2.00 0.00 3.31 0.00 0.00 3.49 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.68 0.00 46 R 8.07 4.61 0.00 1.66 1.80 0.00 3.24 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 47 F 9.72 4.50 0.00 3.04 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 48 T 8.41 4.85 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 49 V 8.09 4.58 2.11 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 0.66 0.00 0.00 0.96 0.00 0.00 50 I 8.11 4.49 1.88 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 1.58 0.92 0.89 0.00 0.00 51 R 9.06 4.07 0.00 1.82 2.09 0.00 3.42 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 52 G 7.89 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 0.00 0.00 0.00 53 P 0.00 4.48 0.00 2.26 2.24 0.00 3.81 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 54 F 7.51 4.91 0.00 2.84 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 55 K 7.59 4.25 0.00 1.33 1.48 0.00 1.47 0.00 0.00 1.34 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 1.10 7.81 56 H 8.65 4.76 0.00 3.16 3.21 0.00 5.65 0.00 0.00 0.00 0.00 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.33 4.25 0.00 1.66 1.76 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.56 7.81 58 D 8.57 4.91 0.00 2.50 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 59 S 7.72 3.62 0.00 3.88 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 R 7.15 4.59 0.00 2.08 1.90 0.00 3.01 0.00 0.00 3.23 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 61 E 8.45 4.61 0.00 1.96 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 2.11 2.27 0.00 62 H 8.34 4.51 0.00 2.98 2.98 0.00 5.54 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 7.70 5.49 0.00 2.99 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 64 E 8.83 5.27 0.00 1.98 1.92 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 2.23 2.33 0.00 65 L 8.60 4.40 0.00 1.67 1.63 0.13 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.34 4.55 0.00 1.79 1.72 0.00 3.24 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 67 T 9.11 4.83 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 1.28 0.00 0.00 68 H 8.87 4.81 0.00 3.21 3.28 0.00 5.76 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 69 N 8.82 5.31 0.00 2.61 2.70 0.00 0.00 6.89 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 70 R 8.78 5.08 0.00 1.88 1.79 0.00 3.24 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 71 L 9.48 5.07 0.00 1.64 1.57 1.01 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.30 4.81 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 0.91 0.00 0.00 0.93 0.00 0.00 73 D 9.03 5.20 0.00 2.61 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 74 I 8.19 4.75 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 1.39 0.93 0.91 0.00 0.00 75 I 8.20 3.73 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 1.48 0.62 0.91 0.00 0.00 76 N 7.94 4.66 0.00 2.79 2.83 0.00 0.00 6.91 8.02 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 77 P 0.00 4.59 0.00 2.17 2.10 0.00 3.77 0.00 0.00 3.72 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 78 N 7.72 4.43 0.00 2.74 2.75 0.00 0.00 7.07 7.65 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 79 R 8.57 4.04 0.00 1.88 1.95 0.00 3.33 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.56 0.00 80 K 9.22 4.11 0.00 1.69 1.86 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.58 7.81 81 T 7.97 4.34 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 82 I 7.15 4.06 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 1.32 0.73 0.91 0.00 0.00 83 E 7.45 4.25 0.00 2.14 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 2.25 2.26 0.00 84 Q 7.26 4.05 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 6.54 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 85 L 8.30 3.89 0.00 1.83 1.75 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 86 M 8.08 3.98 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.67 0.00 87 T 7.57 5.14 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 88 L 8.60 4.42 0.00 1.58 1.68 0.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.45 4.40 0.00 2.70 2.60 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 90 L 8.26 5.16 0.00 1.52 1.55 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.77 0.00 2.36 2.01 0.00 3.84 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.91 0.00 92 T 8.71 4.38 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 93 G 7.82 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 0.00 0.00 0.00 0.00 94 V 7.77 4.46 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 0.88 0.00 0.00 0.90 0.00 0.00 95 E 8.69 4.81 0.00 2.06 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 2.17 2.24 0.00 96 I 7.89 5.23 1.90 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 1.34 2.02 0.90 0.00 0.00 97 E 8.73 4.89 0.00 1.86 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 2.26 2.23 0.00 98 I 8.08 5.10 1.87 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 1.34 0.35 0.91 0.00 0.00 99 K 8.97 4.63 0.00 1.60 1.66 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.54 7.81 100 T 8.02 4.72 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 1.28 0.00 0.00 *101 V 7.82 3.90 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 0.66 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.