NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 R 4.4313 8.2549 120.8799 56.2501 31.2813 174.5191 12 Q 4.4673 8.4182 122.7530 51.6693 32.3702 173.8451 13 S 3.7108 7.5093 115.2972 57.8678 64.3344 173.2170 14 K 4.3281 8.6564 123.8399 55.7264 34.3421 175.7444 15 G 3.9176 8.8219 110.2230 44.7756 0.0000 172.5243 16 V 4.3954 8.3886 111.5190 59.4160 33.8673 176.0147 17 L 3.6719 8.4947 125.8659 55.8660 41.8274 176.0935 18 L 4.4101 8.8456 126.7208 56.3297 42.9048 177.1133 19 L 4.6886 7.2697 116.7568 53.2249 46.4445 175.0312 20 R 4.9677 8.3207 121.7512 55.2930 33.2165 173.6809 21 T 4.7378 9.1419 120.0107 61.1011 71.9072 171.1789 22 L 5.1700 8.4227 124.3064 53.0328 44.0931 175.6112 23 A 3.8413 8.9375 128.6806 52.0940 19.4434 176.3169 24 M 4.7314 8.0169 121.7570 52.7075 35.0097 175.3305 25 P 4.1803 0.0000 0.0000 65.8381 31.6595 178.9277 26 S 4.1771 7.9877 110.9624 60.4914 63.1699 174.2592 27 D 4.8414 7.9008 121.4776 54.2041 40.8194 176.1615 28 T 4.6880 7.2531 109.6415 60.6011 70.3716 174.1374 29 N 4.6165 8.9759 120.9452 51.3883 39.3729 175.4951 30 A 4.1406 8.2407 119.6409 54.4476 18.5958 178.4097 31 N 4.4179 8.0037 112.2464 54.4508 38.7841 176.4721 32 G 3.9044 8.1749 106.5969 44.9124 0.0000 173.1467 33 D 4.7866 7.7014 119.5409 53.1098 43.2777 175.2774 34 I 4.2790 8.4497 121.5300 60.9833 37.9530 176.5873 35 F 4.4104 9.2377 130.1023 58.4736 39.7584 176.2515 36 G 3.6459 9.1154 112.8444 47.8197 0.0000 175.7947 37 G 2.8281 5.3800 107.1102 47.1472 0.0000 175.4521 38 W 4.1009 7.7273 130.5903 60.0551 30.7526 178.1415 39 I 3.6857 7.9940 119.3350 64.7658 36.6343 178.1049 40 M 4.1570 8.4246 119.7897 58.4894 31.7776 178.9987 41 S 4.0536 8.0859 115.2014 61.6478 62.9321 176.6341 42 Q 3.6608 7.6564 120.7674 59.2118 28.3429 179.0267 43 M 3.8672 7.9096 119.1875 58.2726 31.9943 178.7614 44 A 3.4459 8.0631 120.9216 55.1155 18.5964 179.3479 45 M 3.9557 8.0331 116.8649 58.6006 32.1591 178.7682 46 G 3.4332 8.1442 106.0721 47.7352 0.0000 175.7304 47 G 3.6116 8.0809 109.2274 47.4088 0.0000 175.3634 48 A 2.8638 7.6494 123.0519 54.3800 18.2434 179.5502 49 I 3.4374 7.3796 118.2219 64.5811 37.2507 178.2804 50 L 4.2352 7.6594 121.9222 57.4280 41.8907 178.6741 51 A 3.8358 7.6727 120.6824 55.2731 18.2334 179.7870 52 K 4.4104 8.1739 118.4015 58.9707 31.6462 179.4019 53 E 3.8427 8.1982 118.9030 59.5422 29.2027 179.6156 54 I 3.7604 7.5036 117.9915 64.2673 37.3853 178.0670 55 A 4.1075 8.4251 119.3769 52.6544 18.6520 176.6383 56 H 3.8458 8.0825 113.3232 54.5711 27.5211 175.0002 57 G 3.8008 7.2769 106.1392 45.2802 0.0000 171.9218 58 R 4.2311 7.9666 119.5312 57.5042 30.9736 176.9375 59 V 5.0674 8.1467 115.7220 60.1422 36.1844 174.4710 60 V 4.6715 8.6598 115.0140 59.8934 35.3058 175.0668 61 T 4.6021 8.6273 119.8877 63.5148 68.5801 174.9259 62 V 4.3774 8.3543 118.9277 62.0678 34.1996 175.9428 63 A 4.5157 7.4273 119.6760 50.5554 22.7926 175.8210 64 V 4.1955 7.9342 119.4944 60.9451 32.7644 174.8189 65 E 4.1869 8.6188 126.9103 58.4509 30.6011 177.0302 66 S 4.6548 7.6125 113.5611 57.1246 66.2173 172.4214 67 M 5.1303 8.2520 124.0978 54.3804 35.4705 173.4651 68 N 4.9480 9.0774 122.7174 51.5749 42.8722 173.2396 69 F 4.8160 9.0656 122.8091 56.5844 39.5604 175.3045 70 I 4.2848 9.0376 125.6414 62.6226 38.1574 176.9549 71 K 4.7086 7.8075 118.2061 53.7431 36.0457 174.1688 72 P 4.6804 0.0000 0.0000 63.0462 32.5473 175.2992 73 I 4.6254 8.3516 120.9181 59.9720 39.8988 174.7995 74 S 5.0720 9.0630 121.3286 56.1306 66.2329 173.9786 75 V 3.6492 8.3889 122.0946 65.0563 31.4495 176.5036 76 G 4.0109 9.0892 115.5354 45.2382 0.0000 173.5634 77 D 4.5225 7.7488 120.3131 54.4236 42.1853 175.7742 78 V 4.3312 8.6046 122.9124 62.4099 33.1555 174.7578 79 V 4.9413 9.1009 128.0958 61.4366 34.0844 173.8506 80 C 5.3244 9.4187 125.6881 58.1168 31.8989 172.6702 81 C 5.3701 8.7180 120.1102 58.2344 30.6851 172.6002 82 Y 5.1045 9.5665 121.2873 56.1224 41.2335 174.9887 83 G 4.5231 9.2093 109.0776 44.5276 0.0000 171.3653 84 Q 4.8599 9.0946 123.7459 53.9344 32.3207 173.6768 85 C 4.6776 8.8799 127.7043 59.7688 31.5600 172.9481 86 L 4.4465 9.0813 126.9876 56.7558 42.6108 177.2596 87 K 4.5009 7.6357 117.1986 55.4219 35.6516 174.6174 88 V 4.7788 8.5730 126.2662 61.0837 34.5348 175.1505 89 G 4.3326 8.8427 118.2102 44.3644 0.0000 173.8498 90 R 4.0484 8.7915 119.1095 58.9364 30.6202 178.9121 91 S 4.6863 8.0152 110.1439 57.8545 65.1098 173.2260 92 S 5.2173 7.8338 116.5395 57.3041 65.2773 173.1575 93 I 4.7072 9.0865 123.2471 59.5208 40.8280 173.9922 94 K 5.1187 9.1619 128.9277 54.7823 34.4081 174.8437 95 I 5.1274 9.1137 128.1028 59.3595 40.9626 174.4635 96 K 4.6740 9.0957 129.5674 56.1258 33.5225 175.4942 97 V 4.9551 9.2886 127.7645 61.2377 34.1855 173.9588 98 E 5.2936 9.5541 127.0767 54.6219 33.0004 174.8598 99 V 4.9743 9.0187 124.1662 61.2458 33.5908 174.5395 100 W 5.1934 9.7851 127.5623 54.9130 32.8870 174.6250 101 V 4.9569 8.4984 122.2909 61.0152 34.3614 174.1637 102 K 5.0696 8.9631 126.9384 54.5476 35.5676 174.9770 103 K 4.6929 9.2416 127.5230 55.8345 32.4809 177.6150 104 V 3.6922 8.6477 117.8492 61.5678 33.8832 176.4992 105 A 4.8029 7.8008 121.5639 51.3890 19.5898 175.4431 106 S 4.7473 7.8812 111.8614 58.0072 66.2491 173.4849 107 E 4.3648 8.5128 121.0483 55.4264 30.4133 174.8811 108 P 4.4893 0.0000 0.0000 61.8438 31.9743 176.2129 109 I 4.2184 8.2324 125.2599 62.7262 37.4251 175.6707 110 G 4.0890 9.6036 114.6845 45.3026 0.0000 173.7701 111 E 4.1693 8.1755 121.3398 56.8292 30.4764 176.1871 112 R 5.8082 8.8791 125.0141 53.9038 33.6189 174.2295 113 Y 4.7694 7.7858 118.5395 56.1106 41.3451 173.0662 114 C 3.4509 7.4419 121.3201 59.0134 32.1098 173.4162 115 V 4.4097 8.5093 119.9156 62.3119 33.9714 175.7205 116 T 5.0268 7.3749 115.0745 62.5146 72.9160 172.2333 117 D 5.3502 8.6974 123.1802 52.3523 43.7945 173.6920 118 A 4.8273 8.6747 118.3081 51.1528 23.6203 175.5087 119 V 4.7952 8.3393 120.3393 61.3680 33.8211 174.4983 120 F 4.9222 9.4123 127.4681 56.1322 41.5852 174.9544 121 T 5.0161 8.4675 119.2944 61.8247 71.1821 173.4212 122 F 5.4127 9.4786 124.1533 55.6186 43.5720 174.1283 123 V 4.9352 8.9246 120.5070 60.7851 34.7766 174.5849 124 A 4.6365 9.3437 130.6447 52.3910 19.0462 176.7087 125 V 4.8235 8.2445 115.7526 59.4097 35.5499 176.2540 126 D 4.6789 8.4007 121.8218 52.9586 40.9950 175.5874 127 N 4.5562 8.5988 114.7271 54.8787 38.5836 175.5355 128 N 4.6379 8.5181 115.7907 52.9247 39.9533 175.3350 129 G 3.7729 8.0194 111.3838 47.0332 0.0000 173.9521 *131 S 4.4535 8.4184 117.3642 57.6940 64.1089 173.4656 132 R 4.7342 7.8725 116.5386 55.9658 32.6592 173.7060 133 T 4.8632 8.2254 115.4556 61.7009 70.9461 174.7124 134 I 4.0078 8.2158 126.2152 60.2795 37.6841 174.5954 135 P 4.2923 0.0000 0.0000 63.2857 31.8510 176.5667 136 R 4.3463 7.9157 120.5709 54.2507 29.6169 173.7366 *139 N 4.4365 7.8225 118.7833 53.0308 39.5174 174.3188 140 Q 4.3222 8.0206 120.5185 57.5305 29.2728 178.0836 141 E 3.9089 8.1594 121.1703 59.4779 29.6982 178.3493 142 L 3.9611 8.7720 120.6781 58.4021 42.0932 178.9355 143 E 3.9857 7.9093 117.7422 59.3634 29.5208 179.4995 144 K 3.9796 8.0299 118.0543 59.2795 32.0800 179.3752 145 A 3.9878 8.1393 121.0010 55.2499 18.3090 179.7140 146 L 3.9451 8.5574 117.6692 57.6534 41.5928 179.4768 147 A 3.9835 8.0985 120.7343 55.4554 18.3509 179.7371 148 L 4.2325 7.7030 118.0233 57.3144 41.3867 180.0647 149 I 3.7196 7.5665 119.3963 64.4145 37.1955 178.2663 150 S 4.2606 8.1707 114.0675 61.5334 62.4893 176.1496 151 E 4.1219 8.4512 122.2710 58.8743 29.0439 176.9950 152 Q 4.3058 8.4948 121.7863 56.7528 30.9050 173.4901 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 11 R 8.25 4.43 0.00 1.87 2.06 0.00 3.14 0.00 0.00 3.08 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.83 0.00 12 Q 8.42 4.47 0.00 2.05 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 13 S 7.51 3.71 0.00 2.72 2.63 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 0.00 0.00 0.00 0.00 14 K 8.66 4.33 0.00 1.75 1.73 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.46 1.33 7.81 15 G 8.82 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 16 V 8.39 4.40 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 0.69 0.00 0.00 0.93 0.00 0.00 17 L 8.49 3.67 0.00 1.47 1.46 0.16 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.85 4.41 0.00 1.44 1.56 0.90 0.85 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 19 L 7.27 4.69 0.00 1.41 1.38 0.82 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.32 4.97 0.00 1.67 1.70 0.00 3.17 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 21 T 9.14 4.74 4.32 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 1.51 0.00 0.00 22 L 8.42 5.17 0.00 1.69 1.55 1.00 0.99 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 23 A 8.94 3.84 1.12 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 0.00 0.00 0.00 0.00 0.00 24 M 8.02 4.73 0.00 1.86 1.84 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.64 0.00 25 P 0.00 4.18 0.00 2.13 2.08 0.00 3.55 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 2.08 2.05 0.00 26 S 7.99 4.18 0.00 3.97 3.98 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 27 D 7.90 4.84 0.00 2.07 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 0.00 0.00 0.00 0.00 28 T 7.25 4.69 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 1.18 0.00 0.00 29 N 8.98 4.62 0.00 2.94 3.17 0.00 0.00 7.14 7.73 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 30 A 8.24 4.14 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 31 N 8.00 4.42 0.00 2.93 2.89 0.00 0.00 7.19 6.96 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 32 G 8.17 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 0.00 0.00 0.00 33 D 7.70 4.79 0.00 2.65 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 34 I 8.45 4.28 1.89 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.55 0.84 0.00 0.00 35 F 9.24 4.41 0.00 3.07 3.13 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 36 G 9.12 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 5.38 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 0.00 0.00 0.00 38 W 7.73 4.10 0.00 3.61 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.99 3.69 2.29 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.22 1.03 0.00 0.00 40 M 8.42 4.16 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.09 2.78 0.00 41 S 8.09 4.05 0.00 3.83 3.77 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 42 Q 7.66 3.66 0.00 1.77 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 43 M 7.91 3.87 0.00 2.15 2.34 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.55 0.00 44 A 8.06 3.45 1.47 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 0.00 0.00 45 M 8.03 3.96 0.00 2.06 1.96 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 2.51 2.45 0.00 46 G 8.14 3.43 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 0.00 47 G 8.08 3.61 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 0.00 0.00 0.00 48 A 7.65 2.86 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 49 I 7.38 3.44 1.91 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.61 0.81 0.00 0.00 50 L 7.66 4.24 0.00 1.63 1.69 0.88 0.88 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 51 A 7.67 3.84 0.77 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 0.00 0.00 52 K 8.17 4.41 0.00 1.79 1.82 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.37 7.81 53 E 8.20 3.84 0.00 2.12 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 2.26 2.34 0.00 54 I 7.50 3.76 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 1.45 0.54 0.92 0.00 0.00 55 A 8.43 4.11 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 56 H 8.08 3.85 0.00 3.23 3.37 0.00 5.98 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 7.28 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 0.00 0.00 0.00 58 R 7.97 4.23 0.00 1.90 2.07 0.00 3.25 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 59 V 8.15 5.07 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 0.70 0.00 0.00 0.79 0.00 0.00 60 V 8.66 4.67 2.14 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 0.79 0.00 0.00 0.98 0.00 0.00 61 T 8.63 4.60 4.31 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 1.19 0.00 0.00 62 V 8.35 4.38 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 0.67 0.00 0.00 0.95 0.00 0.00 63 A 7.43 4.52 1.09 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 0.00 0.00 64 V 7.93 4.20 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 0.14 0.00 0.00 0.06 0.00 0.00 65 E 8.62 4.19 0.00 1.99 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 2.39 2.19 0.00 66 S 7.61 4.65 0.00 3.82 3.61 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 67 M 8.25 5.13 0.00 1.92 1.70 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.92 0.00 68 N 9.08 4.95 0.00 2.66 2.61 0.00 0.00 6.69 7.70 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 69 F 9.07 4.82 0.00 2.89 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 70 I 9.04 4.28 1.94 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.49 0.88 0.00 0.00 71 K 7.81 4.71 0.00 1.83 1.78 0.00 2.03 0.00 0.00 1.53 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.40 7.81 72 P 0.00 4.68 0.00 2.13 2.10 0.00 3.80 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 2.05 2.03 0.00 73 I 8.35 4.63 1.97 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.87 0.97 0.00 0.00 74 S 9.06 5.07 0.00 3.76 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 75 V 8.39 3.65 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 0.75 0.00 0.00 0.93 0.00 0.00 76 G 9.09 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 77 D 7.75 4.52 0.00 2.74 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 78 V 8.60 4.33 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 1.08 0.00 0.00 0.95 0.00 0.00 79 V 9.10 4.94 2.36 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 1.21 0.00 0.00 1.21 0.00 0.00 80 C 9.42 5.32 0.00 3.04 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.72 5.37 0.00 2.71 2.74 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 82 Y 9.57 5.10 0.00 2.96 2.92 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 83 G 9.21 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.09 4.86 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 85 C 8.88 4.68 0.00 3.05 2.85 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 86 L 9.08 4.45 0.00 1.55 1.72 0.95 0.88 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 87 K 7.64 4.50 0.00 1.81 1.61 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.42 7.81 88 V 8.57 4.78 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 0.90 0.00 0.00 0.95 0.00 0.00 89 G 8.84 4.33 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 0.00 90 R 8.79 4.05 0.00 1.86 1.93 0.00 3.14 0.00 0.00 3.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 91 S 8.02 4.69 0.00 4.08 4.15 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 92 S 7.83 5.22 0.00 3.95 4.04 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 93 I 9.09 4.71 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.55 0.98 0.00 0.00 94 K 9.16 5.12 0.00 1.85 1.79 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.41 7.81 95 I 9.11 5.13 2.16 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.85 0.98 0.00 0.00 96 K 9.10 4.67 0.00 1.90 1.74 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.63 7.81 97 V 9.29 4.96 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 0.92 0.00 0.00 0.87 0.00 0.00 98 E 9.55 5.29 0.00 2.26 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 2.32 2.36 0.00 99 V 9.02 4.97 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 0.99 0.00 0.00 0.95 0.00 0.00 100 W 9.79 5.19 0.00 3.41 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 0.00 101 V 8.50 4.96 1.59 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 0.82 0.00 0.00 0.97 0.00 0.00 102 K 8.96 5.07 0.00 1.86 1.62 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.42 7.81 103 K 9.24 4.69 0.00 1.85 1.99 0.00 1.91 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.69 7.81 104 V 8.65 3.69 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 0.74 0.00 0.00 0.95 0.00 0.00 105 A 7.80 4.80 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 0.00 106 S 7.88 4.75 0.00 3.95 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 0.00 107 E 8.51 4.36 0.00 2.00 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 2.33 2.29 0.00 108 P 0.00 4.49 0.00 2.23 2.01 0.00 3.84 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.13 0.00 109 I 8.23 4.22 1.89 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 1.31 0.75 0.93 0.00 0.00 110 G 9.60 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 0.00 0.00 0.00 111 E 8.18 4.17 0.00 2.46 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 0.00 2.54 2.42 0.00 112 R 8.88 5.81 0.00 1.92 2.07 0.00 3.42 0.00 0.00 3.95 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 113 Y 7.79 4.77 0.00 2.81 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 0.00 114 C 7.44 3.45 0.00 1.23 2.21 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 0.00 115 V 8.51 4.41 2.35 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 0.76 0.00 0.00 1.02 0.00 0.00 116 T 7.37 5.03 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 0.79 0.00 0.00 117 D 8.70 5.35 0.00 2.84 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 0.00 118 A 8.67 4.83 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 0.00 119 V 8.34 4.80 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 0.98 0.00 0.00 0.95 0.00 0.00 120 F 9.41 4.92 0.00 2.95 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 0.00 0.00 0.00 0.00 121 T 8.47 5.02 4.12 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 0.00 0.00 1.19 0.00 0.00 122 F 9.48 5.41 0.00 3.01 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 0.00 123 V 8.92 4.94 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 0.99 0.00 0.00 0.96 0.00 0.00 124 A 9.34 4.64 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 0.00 125 V 8.24 4.82 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 0.78 0.00 0.00 0.95 0.00 0.00 126 D 8.40 4.68 0.00 2.77 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 0.00 127 N 8.60 4.56 0.00 2.74 2.90 0.00 0.00 6.73 8.00 0.00 0.00 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 N 8.52 4.64 0.00 2.77 2.80 0.00 0.00 6.74 8.03 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 0.00 129 G 8.02 3.77 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 0.00 0.00 0.00 *131 S 8.42 4.45 0.00 3.61 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 0.00 132 R 7.87 4.73 0.00 1.81 1.91 0.00 3.00 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 133 T 8.23 4.86 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 1.27 0.00 0.00 134 I 8.22 4.01 1.88 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 1.24 0.61 0.96 0.00 0.00 135 P 0.00 4.29 0.00 1.90 1.93 0.00 3.61 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 1.99 2.06 0.00 136 R 7.92 4.35 0.00 1.69 1.76 0.00 3.26 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 *139 N 7.82 4.44 0.00 2.63 2.73 0.00 0.00 6.82 6.92 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 0.00 140 Q 8.02 4.32 0.00 2.32 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 141 E 8.16 3.91 0.00 2.13 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 2.46 2.42 0.00 142 L 8.77 3.96 0.00 1.84 1.89 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 143 E 7.91 3.99 0.00 2.20 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 2.33 2.35 0.00 144 K 8.03 3.98 0.00 1.99 1.86 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.70 7.81 145 A 8.14 3.99 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 0.00 146 L 8.56 3.95 0.00 1.65 1.74 0.92 0.94 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 0.00 147 A 8.10 3.98 1.42 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 0.00 0.00 0.00 148 L 7.70 4.23 0.00 1.88 1.74 0.95 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 149 I 7.57 3.72 2.03 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 1.72 0.54 0.92 0.00 0.00 150 S 8.17 4.26 0.00 4.00 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 0.00 151 E 8.45 4.12 0.00 2.21 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 2.35 0.00 152 Q 8.49 4.31 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.55 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 * Residues marked with a * may have inaccurate shift predictions.