NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 T 4.1972 8.1701 112.9183 59.0122 69.9959 175.9316 18 A 3.8600 8.0223 124.7094 55.2049 19.2289 178.8636 19 P 3.7291 0.0000 0.0000 60.4286 34.4075 176.1975 20 K 4.2939 10.0059 118.9410 55.4862 29.3703 175.5789 21 S 4.1032 7.9937 123.2659 59.0714 62.6898 170.5956 22 D 4.2716 9.6126 121.7650 52.6621 39.2195 173.7488 23 N 4.1621 9.0659 108.3871 55.4862 33.1832 173.1772 24 V 3.4343 7.4579 128.3371 65.9135 32.3843 177.8392 *25 Y 4.2327 7.6099 121.9597 62.0405 37.2044 181.1299 26 L 4.2140 8.0353 126.7207 59.9866 41.3301 182.1073 27 K 4.3444 7.5025 125.3231 60.1294 31.6653 181.1930 28 L 4.2427 8.3339 126.7086 60.0729 40.7163 181.5939 29 L 4.2169 8.3634 126.2786 60.1943 40.6687 181.9923 30 V 3.8840 7.7950 122.9448 66.8147 31.2267 180.5159 31 K 4.2017 8.0213 126.6553 60.4585 31.3835 181.1006 32 L 4.2841 8.1320 124.8424 60.3762 40.4759 181.9831 *33 Y 4.2902 7.7959 122.5609 62.9727 37.1472 180.5216 34 T 4.2808 8.5430 118.2600 66.2667 68.4323 178.8014 *35 F 4.4704 9.4477 123.5126 63.3078 38.5370 180.6659 36 L 4.3503 8.4156 118.2049 54.2537 41.8491 174.9467 37 A 3.5883 9.1925 125.7448 55.0457 18.3158 177.8584 38 R 4.2144 8.9623 125.5421 58.2796 29.7187 178.7099 39 R 4.0569 8.5102 112.5029 58.2889 28.1532 182.1985 40 T 4.1302 9.2924 106.4901 62.5249 70.2260 176.8875 41 D 4.9166 8.2132 126.9345 54.9694 39.6514 177.2308 42 A 3.7940 9.7694 122.6043 54.6532 16.0231 175.9887 43 P 5.1853 0.0000 0.0000 65.1812 37.9700 174.2762 *44 F 3.8696 8.2387 118.7890 59.5257 37.7567 178.8809 45 N 4.6890 8.4414 123.0839 56.5055 37.2641 184.5678 46 K 4.6816 7.4560 124.7165 59.7848 33.1799 180.7755 47 V 3.8665 8.0822 122.2545 67.2182 31.3628 181.6089 48 V 4.0544 8.3872 122.0538 65.8353 31.6249 180.9518 49 L 4.4361 7.8498 122.9851 60.4822 40.9089 184.9601 50 K 4.0674 7.9146 123.8647 59.0522 31.9278 180.9224 51 A 4.4026 8.1234 121.9386 56.4773 18.4029 179.9885 52 L 4.0191 7.9274 122.0572 60.3131 40.8339 181.3842 *53 F 5.0700 8.0377 117.7388 59.8516 38.2189 178.8407 54 L 3.9820 7.4523 122.7443 54.7572 41.1557 179.7645 55 S 4.6034 8.4785 118.9199 57.5482 63.3722 176.7133 56 K 3.9305 8.7114 121.9310 58.7088 31.6636 176.5876 57 I 4.3912 7.2717 117.0890 59.8978 37.6626 181.7111 58 N 4.3031 8.8128 116.3096 54.3941 35.6398 176.1758 59 R 4.5673 7.5858 118.1937 54.7722 30.5782 181.0434 60 P 4.0477 0.0000 0.0000 63.8813 29.9529 174.3224 61 P 4.2794 0.0000 0.0000 63.2702 30.0062 176.0381 62 V 3.8464 7.7778 123.8682 61.2243 33.0781 178.0099 63 S 5.1734 8.4201 122.5502 56.1626 64.9314 174.0524 64 V 3.7452 8.3468 123.1917 68.0986 31.2249 180.5025 65 S 4.4044 8.3319 121.4012 64.3804 61.9706 179.0636 66 R 4.2707 8.7461 126.8366 61.4980 29.2322 181.3901 67 I 4.0907 7.7822 120.0503 64.2752 35.2408 179.2194 68 A 4.5335 7.8573 121.3686 55.6732 19.5094 179.4556 69 R 4.0331 7.8602 117.7807 62.4402 29.5144 180.0931 70 A 4.2098 8.5925 122.8017 54.7881 18.4294 178.7622 71 L 3.9335 7.6237 119.9520 54.6851 41.8496 180.8361 72 K 3.7777 8.3019 114.5471 57.2695 27.3327 174.4306 73 Q 4.3724 7.5136 121.3966 51.4688 32.0008 175.8265 74 E 3.8145 8.6504 112.0678 55.5425 28.2921 177.2623 75 G 3.9431 8.3332 105.6501 45.4451 0.0000 172.3497 76 A 4.7260 7.0398 124.5757 51.8818 21.0712 176.6509 77 A 4.4308 7.8860 126.7439 53.6103 24.0196 177.9749 78 N 4.5759 8.4767 113.0935 53.5152 37.3696 181.2158 79 K 4.4730 7.6618 122.3709 55.6470 33.2558 181.7638 80 T 5.2237 9.3205 115.2930 60.2777 69.9000 174.6001 81 V 4.0259 8.4457 129.2803 61.7508 32.8852 175.2891 82 V 4.9405 8.3115 125.7269 60.3406 32.7668 175.8174 83 V 3.7606 8.2713 122.2629 61.7785 31.3546 179.7784 84 V 4.1452 8.4552 120.9206 60.3353 32.3897 173.2128 85 G 3.9976 7.9735 114.3162 46.4849 0.0000 172.7354 86 T 4.5891 8.5488 119.9788 63.1846 70.5375 172.1280 87 V 4.9806 7.9367 115.4690 64.3205 35.2087 169.4845 88 T 4.1374 8.4355 123.6496 60.9870 69.5396 171.7129 89 D 4.2750 8.9685 121.7229 54.1848 40.4485 178.2677 90 D 4.7758 8.0482 118.7879 52.6444 39.3665 176.5249 91 A 4.6104 8.1210 121.9570 52.3068 19.3255 176.6261 92 R 4.3720 7.9480 123.8445 54.1604 28.4834 173.5210 93 I 3.9741 7.5649 124.6056 59.0071 35.5009 176.8210 *94 F 3.9001 8.7305 124.2572 57.1727 38.4220 175.7103 95 E 3.6792 8.5796 116.2053 57.7305 27.7700 169.1340 *96 F 3.6982 8.7404 123.5375 58.3688 37.1551 169.9284 97 P 5.7409 0.0000 0.0000 62.0813 30.4407 170.7871 98 K 3.7654 8.1336 114.9826 56.6691 27.9378 176.3229 99 T 4.7512 7.7210 120.2602 60.7657 73.5856 171.2106 100 T 4.9939 8.0908 117.0244 61.5871 71.4906 174.9720 101 V 4.6810 8.2764 120.8304 61.2214 36.2872 168.6979 102 A 4.4645 7.5984 127.7723 53.2061 22.5406 176.3574 103 A 4.5968 8.5179 123.4378 54.0482 21.5849 178.5326 104 L 3.1554 8.1762 114.0097 58.6548 41.3785 178.3580 105 R 4.9647 6.8020 123.6412 56.5974 34.3859 177.6324 *106 F 4.8600 8.4539 116.0696 58.5673 41.8459 171.1850 107 T 3.8555 8.3687 116.4424 61.0872 69.1269 173.2550 108 A 3.5893 9.2732 119.6445 56.6031 18.2686 179.9121 109 G 4.0541 8.5598 108.1781 47.5582 0.0000 175.6037 110 A 4.2345 8.1690 123.3136 52.6020 17.2421 178.6965 111 R 4.2416 9.0182 122.4622 57.2803 28.8885 178.1350 112 A 5.2962 7.9139 135.0000 53.1264 18.0027 180.0387 113 K 4.1679 8.4755 122.7726 60.1072 31.8732 182.3437 114 I 4.1035 7.7929 122.3515 65.1392 35.1742 181.2734 115 V 4.1992 7.7782 119.3617 65.7333 31.8232 184.0392 116 K 4.2571 8.2559 120.9744 62.1690 31.8204 185.0000 117 A 3.5459 7.7084 118.9301 49.5967 20.2769 176.6378 118 G 4.3417 7.6405 100.1412 42.9088 0.0000 169.9383 119 G 4.8662 8.9293 113.0530 45.7759 0.0000 177.4001 120 E 4.6435 8.9179 129.6094 55.3361 33.8362 174.0664 121 C 4.4890 9.0596 125.4586 57.8956 26.0340 171.2688 122 I 3.8414 8.3361 125.7111 60.8670 35.6672 175.9428 123 T 3.5335 7.8380 106.3083 63.0314 64.9868 179.1711 124 L 3.9256 8.5443 130.0115 56.1180 41.0263 176.8134 125 D 4.5873 8.8197 120.1610 56.8247 40.7118 183.7774 126 Q 4.1126 8.2611 119.8945 58.8234 28.6702 182.2869 127 L 4.4877 7.4145 118.0030 52.7652 39.3292 177.8817 128 A 4.5671 7.4663 127.8299 54.0838 25.4470 179.8931 129 V 3.8439 8.5332 114.9472 63.1997 32.2051 181.2899 130 R 4.3895 8.0282 114.6365 58.7211 30.5667 182.9595 131 A 4.2128 8.4964 122.2441 54.2564 18.6445 179.2670 132 P 4.3645 0.0000 0.0000 67.2563 31.1019 183.0769 133 K 4.1345 7.2896 120.6290 54.2561 32.1588 178.2516 134 G 3.6005 8.1902 113.9244 46.0092 0.0000 175.0555 135 Q 4.0138 8.1077 121.0988 56.5903 28.7323 181.5185 136 N 4.2179 8.7840 116.3892 54.6630 34.9513 175.7591 137 T 5.2943 7.6742 113.9533 59.4795 72.6708 177.0060 138 L 4.5589 8.6111 131.4833 52.6863 43.0317 173.2552 139 I 4.2569 8.5340 128.4378 60.2406 35.7138 173.0341 140 L 4.8174 8.6004 133.2595 52.8067 43.7984 173.5936 141 R 4.7411 8.3908 122.3260 53.8298 33.3131 171.2375 142 G 3.9748 8.2197 111.0676 43.6291 0.0000 170.7912 143 P 5.4506 0.0000 0.0000 60.4627 31.7294 171.7867 144 R 4.4442 7.7298 118.9611 56.7727 29.8479 176.1398 145 N 3.8265 9.6167 122.9003 53.5346 37.0424 174.5233 146 S 5.0346 10.0638 117.7146 59.8419 59.9335 169.0012 147 R 4.7273 7.5828 118.9654 54.8396 32.9743 176.7206 148 E 4.7684 8.7671 117.8094 53.2024 32.9288 170.9651 149 A 4.5749 8.4075 125.7930 52.4125 21.9055 178.7849 150 V 4.4217 7.4250 116.9210 59.5552 34.3967 178.0364 151 R 4.4040 8.3663 118.0697 56.6954 31.4253 170.8946 *152 H 4.1571 8.9853 123.8447 56.0398 27.9178 172.9836 *153 F 5.7112 7.8077 135.0000 56.0609 39.2100 169.2258 154 G 4.2055 7.9285 115.8336 47.4947 0.0000 171.8305 155 M 4.5429 7.7274 116.9004 53.1105 33.9122 177.3464 156 G 3.8052 8.1749 107.5484 46.6784 0.0000 171.4006 157 P 4.3021 0.0000 0.0000 63.3229 31.0867 172.2424 *158 H 4.9575 8.4613 113.6011 55.0234 31.5733 172.6132 159 K 4.2630 8.7838 118.9702 55.7460 31.5379 177.0660 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 17 T 8.17 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 1.21 0.00 0.00 18 A 8.02 3.86 1.41 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 0.00 0.00 0.00 19 P 0.00 3.73 0.00 2.15 1.29 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.63 0.00 20 K 10.01 4.29 0.00 1.82 2.14 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.19 0.88 7.81 21 S 7.99 4.10 0.00 3.81 3.84 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 22 D 9.61 4.27 0.00 2.66 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 23 N 9.07 4.16 0.00 2.72 3.16 0.00 0.00 6.70 7.67 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 24 V 7.46 3.43 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 0.74 0.00 0.00 0.93 0.00 0.00 *25 Y 7.61 4.23 0.00 2.32 2.29 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 26 L 8.04 4.21 0.00 1.72 1.66 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.50 4.34 0.00 1.81 1.86 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.34 7.81 28 L 8.33 4.24 0.00 1.59 1.73 0.92 0.62 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 29 L 8.36 4.22 0.00 1.60 1.74 0.92 0.88 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 30 V 7.80 3.88 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 0.93 0.00 0.00 31 K 8.02 4.20 0.00 1.78 1.84 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.35 7.81 32 L 8.13 4.28 0.00 1.64 1.74 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 *33 Y 7.80 4.29 0.00 2.43 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 0.00 0.00 0.00 0.00 34 T 8.54 4.28 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 *35 F 9.45 4.47 0.00 2.38 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 0.00 0.00 0.00 0.00 36 L 8.42 4.35 0.00 1.62 1.54 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 37 A 9.19 3.59 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 38 R 8.96 4.21 0.00 2.01 1.92 0.00 3.30 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 1.44 1.17 0.00 39 R 8.51 4.06 0.00 1.82 1.33 0.00 3.27 0.00 0.00 3.26 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.22 0.00 40 T 9.29 4.13 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 41 D 8.21 4.92 0.00 2.69 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 0.00 0.00 0.00 0.00 42 A 9.77 3.79 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 43 P 0.00 5.19 0.00 1.96 1.97 0.00 3.78 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.58 0.00 *44 F 8.24 3.87 0.00 2.29 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 0.00 0.00 0.00 0.00 45 N 8.44 4.69 0.00 2.70 2.68 0.00 0.00 6.99 7.63 0.00 0.00 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 K 7.46 4.68 0.00 1.77 1.75 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.13 7.81 47 V 8.08 3.87 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 0.75 0.00 0.00 0.93 0.00 0.00 48 V 8.39 4.05 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 0.93 0.00 0.00 49 L 7.85 4.44 0.00 1.65 1.67 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.91 4.07 0.00 1.89 1.78 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.35 7.81 51 A 8.12 4.40 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 52 L 7.93 4.02 0.00 1.74 1.63 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 *53 F 8.04 5.07 0.00 2.29 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 0.00 0.00 0.00 0.00 54 L 7.45 3.98 0.00 1.69 1.54 0.92 0.86 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 S 8.48 4.60 0.00 3.65 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 56 K 8.71 3.93 0.00 1.77 1.77 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.01 7.81 57 I 7.27 4.39 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 1.16 0.63 0.91 0.00 0.00 58 N 8.81 4.30 0.00 2.90 2.84 0.00 0.00 6.45 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 59 R 7.59 4.57 0.00 1.83 1.77 0.00 3.27 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.41 0.00 60 P 0.00 4.05 0.00 2.08 1.62 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.63 0.00 61 P 0.00 4.28 0.00 2.16 2.16 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.36 0.00 62 V 7.78 3.85 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 0.67 0.00 0.00 0.93 0.00 0.00 63 S 8.42 5.17 0.00 3.63 3.74 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 0.00 0.00 0.00 64 V 8.35 3.75 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 0.93 0.00 0.00 65 S 8.33 4.40 0.00 3.72 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 66 R 8.75 4.27 0.00 1.76 1.91 0.00 3.27 0.00 0.00 3.20 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 67 I 7.78 4.09 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 1.57 0.53 0.91 0.00 0.00 68 A 7.86 4.53 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.86 4.03 0.00 1.94 1.90 0.00 3.29 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 70 A 8.59 4.21 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 71 L 7.62 3.93 0.00 1.62 1.49 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.30 3.78 0.00 1.84 1.70 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 0.98 7.81 73 Q 7.51 4.37 0.00 2.02 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.28 0.00 0.00 0.00 0.00 0.00 2.15 1.87 0.00 74 E 8.65 3.81 0.00 2.16 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 2.10 1.86 0.00 75 G 8.33 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 76 A 7.04 4.73 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 77 A 7.89 4.43 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 78 N 8.48 4.58 0.00 2.76 2.72 0.00 0.00 6.54 7.44 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 79 K 7.66 4.47 0.00 1.80 1.62 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.24 7.81 80 T 9.32 5.22 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 81 V 8.45 4.03 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 0.65 0.00 0.00 0.93 0.00 0.00 82 V 8.31 4.94 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 0.85 0.00 0.00 0.93 0.00 0.00 83 V 8.27 3.76 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 84 V 8.46 4.15 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 0.89 0.00 0.00 0.93 0.00 0.00 85 G 7.97 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 86 T 8.55 4.59 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 87 V 7.94 4.98 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 0.70 0.00 0.00 0.93 0.00 0.00 88 T 8.44 4.14 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 89 D 8.97 4.28 0.00 2.69 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.05 4.78 0.00 2.87 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 91 A 8.12 4.61 1.20 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 0.00 0.00 0.00 92 R 7.95 4.37 0.00 1.74 1.84 0.00 3.30 0.00 0.00 3.37 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.17 0.00 93 I 7.56 3.97 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 1.27 1.09 0.91 0.00 0.00 *94 F 8.73 3.90 0.00 2.34 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 95 E 8.58 3.68 0.00 2.17 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 2.10 1.86 0.00 *96 F 8.74 3.70 0.00 2.46 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 0.00 0.00 0.00 0.00 97 P 0.00 5.74 0.00 2.17 2.02 0.00 3.83 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.31 0.00 98 K 8.13 3.77 0.00 1.84 1.74 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 0.98 7.81 99 T 7.72 4.75 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 0.00 100 T 8.09 4.99 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 0.00 101 V 8.28 4.68 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 1.10 0.00 0.00 0.93 0.00 0.00 102 A 7.60 4.46 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 0.00 103 A 8.52 4.60 1.15 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 0.00 0.00 104 L 8.18 3.16 0.00 1.68 1.39 0.92 0.63 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 0.00 105 R 6.80 4.96 0.00 1.57 1.71 0.00 3.24 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.42 0.00 *106 F 8.45 4.86 0.00 2.00 2.01 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 0.00 107 T 8.37 3.86 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 0.00 108 A 9.27 3.59 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 0.00 109 G 8.56 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 0.00 110 A 8.17 4.23 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 0.00 111 R 9.02 4.24 0.00 1.84 1.83 0.00 3.44 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.24 0.00 112 A 7.91 5.30 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.48 4.17 0.00 1.73 1.82 0.00 1.82 0.00 0.00 1.68 0.00 0.00 3.17 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 114 I 7.79 4.10 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 1.50 0.54 0.91 0.00 0.00 115 V 7.78 4.20 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 0.94 0.00 0.00 0.93 0.00 0.00 116 K 8.26 4.26 0.00 1.89 1.74 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.32 7.81 117 A 7.71 3.55 1.35 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 0.00 118 G 7.64 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 0.00 119 G 8.93 4.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 E 8.92 4.64 0.00 1.61 1.77 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 2.21 1.88 0.00 121 C 9.06 4.49 0.00 2.75 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 0.00 122 I 8.34 3.84 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 1.27 0.54 0.91 0.00 0.00 123 T 7.84 3.53 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 0.00 124 L 8.54 3.93 0.00 1.65 1.64 0.92 0.98 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 0.00 125 D 8.82 4.59 0.00 2.61 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 0.00 126 Q 8.26 4.11 0.00 1.96 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 7.27 0.00 0.00 0.00 0.00 0.00 2.38 1.97 0.00 127 L 7.41 4.49 0.00 1.61 1.55 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.47 4.57 1.35 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 0.00 129 V 8.53 3.84 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 0.70 0.00 0.00 0.93 0.00 0.00 130 R 8.03 4.39 0.00 1.81 1.85 0.00 3.24 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 1.47 1.17 0.00 131 A 8.50 4.21 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 0.00 132 P 0.00 4.36 0.00 2.12 1.91 0.00 3.65 0.00 0.00 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.61 0.00 133 K 7.29 4.13 0.00 1.77 1.65 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.01 7.81 134 G 8.19 3.60 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 0.00 135 Q 8.11 4.01 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.66 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 136 N 8.78 4.22 0.00 2.73 2.80 0.00 0.00 6.56 7.22 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 0.00 137 T 7.67 5.29 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 0.00 138 L 8.61 4.56 0.00 1.31 1.59 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 139 I 8.53 4.26 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 1.20 1.10 0.91 0.00 0.00 140 L 8.60 4.82 0.00 1.29 1.55 0.92 0.82 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 0.00 141 R 8.39 4.74 0.00 1.76 1.66 0.00 3.27 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.19 0.00 142 G 8.22 3.97 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 0.00 0.00 0.00 143 P 0.00 5.45 0.00 2.19 2.06 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.34 0.00 144 R 7.73 4.44 0.00 1.76 1.70 0.00 3.38 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 145 N 9.62 3.83 0.00 2.83 2.67 0.00 0.00 7.21 7.64 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 0.00 146 S 10.06 5.03 0.00 3.67 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 0.00 147 R 7.58 4.73 0.00 1.76 1.66 0.00 3.17 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 1.44 1.18 0.00 148 E 8.77 4.77 0.00 1.92 1.69 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 2.11 1.83 0.00 149 A 8.41 4.57 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 0.00 150 V 7.42 4.42 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 0.77 0.00 0.00 0.93 0.00 0.00 151 R 8.37 4.40 0.00 1.76 1.71 0.00 3.26 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 *152 H 8.99 4.16 0.00 2.92 2.97 0.00 7.31 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *153 F 7.81 5.71 0.00 2.36 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 0.00 0.00 0.00 154 G 7.93 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 0.00 155 M 7.73 4.54 0.00 2.05 1.89 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.09 0.00 156 G 8.17 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 0.00 0.00 0.00 157 P 0.00 4.30 0.00 2.10 1.91 0.00 3.69 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.62 0.00 *158 H 8.46 4.96 0.00 2.87 2.82 0.00 7.14 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 K 8.78 4.26 0.00 1.83 1.99 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.19 0.87 7.81 * Residues marked with a * may have inaccurate shift predictions.