NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4611 8.3349 115.4127 58.1912 63.6271 172.0866 3 N 4.9052 7.5499 121.9939 49.7747 43.0191 173.0840 4 T 3.8336 9.1490 111.0822 62.4345 69.3407 172.1483 5 L 3.8234 7.5399 121.5298 53.9725 43.1109 177.5636 6 F 4.5483 7.4157 119.4946 54.4041 41.7540 173.2053 7 D 5.4376 10.2720 125.4854 55.6847 42.9929 172.4582 8 D 4.5525 8.2572 122.9563 53.8554 45.2204 173.2584 9 I 4.9103 7.8010 121.6514 59.6388 39.4941 175.0916 10 F 5.3908 8.7809 124.5053 55.6720 43.4280 173.6124 11 Q 5.1224 9.3912 122.1916 54.1128 32.0565 174.6595 12 V 4.0965 8.8065 127.1777 63.2842 31.9125 176.1537 13 S 4.5602 9.2351 123.4280 59.4984 65.0987 174.4465 14 E 4.7742 7.9656 120.1406 54.2101 33.2751 174.4155 15 V 4.2588 8.5299 125.9487 60.2041 33.1483 174.6808 16 D 4.7471 8.2146 126.5247 51.0740 41.5337 175.5911 17 P 4.5568 0.0000 0.0000 62.1198 29.6781 178.4748 18 G 3.7418 7.8087 107.3119 46.0354 0.0000 172.2417 19 R 3.6493 8.4226 129.1328 56.1649 27.8211 175.4165 20 Y 4.9246 7.5276 111.4067 57.4580 42.5632 174.3680 21 N 4.8800 9.0013 115.7796 54.7356 40.8966 175.5199 22 K 4.2527 7.9207 115.4137 55.8704 33.5671 172.8912 23 V 3.3191 8.4819 129.1064 62.6616 30.3138 170.2201 24 C 4.9666 8.5791 126.7805 57.3458 35.7209 172.1556 25 R 4.8305 8.3797 121.7905 55.1348 31.6749 174.4905 26 I 4.4253 9.2410 126.6963 59.1095 41.1608 173.4037 27 E 5.0793 8.8756 130.2142 54.6680 31.1876 174.1753 28 A 5.3618 8.8111 128.8477 50.1292 22.4132 174.8129 29 A 4.8062 9.0843 122.8120 50.4843 22.1392 175.7877 30 S 4.5951 8.4964 114.0412 57.3429 63.7869 173.8469 31 T 3.9775 8.3889 124.6288 65.1242 68.3736 173.8482 32 T 3.7510 9.0062 126.9748 63.6819 66.6594 172.2741 33 Q 4.4247 7.5622 121.5271 54.4197 28.7530 175.3596 34 D 4.4825 8.7355 124.5833 57.2082 41.8660 177.7113 35 Q 4.3887 7.8537 117.9322 54.8825 28.3327 174.8285 36 C 5.0485 7.3929 115.5365 59.1281 34.9879 173.3302 37 K 4.8953 8.3161 124.0697 55.2887 36.6173 174.6380 38 L 4.8876 8.3949 121.7716 54.0542 45.9882 174.4799 39 T 5.1789 8.7059 122.1584 61.7665 71.9234 172.7742 40 L 5.0444 9.2451 127.1421 53.7865 46.4560 174.6014 41 D 5.1604 8.4435 124.2397 53.0788 41.9127 175.8127 42 I 4.2339 8.1201 125.6022 58.9969 39.7189 175.1489 43 N 4.8770 9.5480 126.9803 53.8659 36.8570 175.3519 44 V 3.9597 8.1595 125.1167 64.5430 32.0025 176.9878 45 E 4.0875 7.9268 118.4305 57.0319 29.5824 176.4895 46 L 4.6995 8.0693 115.9143 55.4580 43.9061 176.6038 47 F 4.8630 7.8304 121.5762 56.1220 40.2765 171.3243 48 P 4.2946 0.0000 0.0000 62.5050 31.7896 176.8897 49 V 3.9043 7.7803 119.3670 61.6214 33.5571 174.4536 50 A 4.3925 7.7559 131.1302 50.5582 20.4958 176.0864 51 A 4.1603 8.2318 120.6032 53.4070 18.9409 177.2942 52 Q 3.7095 8.0621 118.2225 57.1397 26.9890 173.7097 53 D 4.8775 7.9360 116.7625 53.7264 42.6640 175.7298 54 S 5.2603 8.5927 116.7449 57.0515 65.2268 172.9295 55 L 5.1259 8.8693 121.3033 53.5727 46.8383 175.0393 56 T 4.9186 8.3971 114.7344 62.3074 72.7679 174.1499 57 V 4.8726 8.7956 124.4911 61.7116 33.5150 174.0411 58 T 4.3347 8.4874 123.4678 62.8095 70.0064 173.7765 59 I 4.1295 8.6766 122.3747 57.9705 39.0159 179.1619 60 A 3.7852 8.5967 123.8414 52.3849 17.8603 178.0069 61 S 4.9935 7.9795 108.7738 57.0801 63.1727 176.3952 62 S 4.6092 8.0666 114.2629 60.6461 68.2671 174.4981 63 L 4.3502 7.0779 119.7071 52.3855 40.6897 175.6828 *76 T 4.1325 7.1458 115.4457 58.6532 71.0822 174.0895 77 R 3.3777 8.3796 116.1263 56.9456 29.8830 176.9210 78 S 4.3489 8.5079 116.2388 57.8341 63.7879 172.6809 79 W 4.6239 8.4239 130.1463 55.8087 31.1937 176.0243 80 R 4.1183 7.6244 124.9624 54.4635 31.3155 176.5208 81 P 4.0503 0.0000 0.0000 62.1222 30.0953 173.8934 82 P 4.1060 0.0000 0.0000 59.9927 32.1838 175.8783 83 Q 3.7770 8.2579 119.5250 55.4948 27.8445 173.6172 84 A 3.7096 7.9854 118.2386 52.5140 16.6837 179.5699 85 G 3.6962 7.8726 110.5076 47.2903 0.0000 173.1006 86 D 4.3423 8.4432 127.4739 54.9281 37.3524 175.9301 87 R 3.9486 7.8659 118.5758 56.6856 29.8151 176.0168 88 S 4.2104 8.2727 117.9560 58.0163 62.7532 168.3500 89 L 4.4269 7.6435 129.3148 55.5825 38.4305 173.1372 90 A 4.5426 7.8565 124.9583 50.3389 26.3000 178.2430 91 D 4.0460 8.7811 111.8077 55.3842 43.5959 175.2098 92 D 4.6240 7.4751 118.0848 53.5010 40.7034 177.5831 93 Y 4.6235 7.2728 116.4295 56.9169 40.3530 175.0635 94 D 4.4828 8.0024 126.6250 56.8955 40.9524 176.6333 95 Y 3.8530 7.6038 127.4199 57.8491 39.5440 173.9910 96 V 5.5997 7.9236 126.1374 60.6429 34.3560 174.2726 97 M 4.8675 8.3565 124.9272 53.6652 36.8583 173.1860 98 Y 4.8567 8.2447 120.1755 56.3666 42.3015 174.7417 99 G 3.9324 7.2994 111.3035 45.9666 0.0000 171.8843 100 T 4.8555 8.2153 115.2171 61.6617 72.8287 173.5993 101 A 5.0595 9.0976 126.4184 52.6455 19.9554 175.0173 102 Y 4.5478 8.0723 115.0726 57.3691 38.3516 176.9017 103 K 4.2164 8.7758 114.9705 54.8797 35.1766 176.3759 104 F 5.2788 8.2581 121.7371 54.5236 41.1646 174.0928 105 E 4.7803 8.5482 132.0161 54.9663 30.3672 177.8014 106 E 5.3605 8.8613 111.1188 54.0927 29.8518 175.1102 107 V 4.1348 7.6140 130.0334 62.6451 32.6829 172.5816 108 S 4.3835 7.4917 115.3934 57.7839 63.0668 174.2104 109 K 4.4406 7.9471 121.9695 55.7336 34.4942 176.3721 110 D 5.0299 8.9186 118.5575 53.6932 38.6737 175.7182 111 L 4.0626 8.0050 118.4414 56.2125 42.2333 171.7966 112 I 3.1742 10.2073 128.4705 60.7638 37.9457 171.4401 113 A 4.5536 7.9239 127.0607 50.9068 22.6720 174.7657 114 V 4.6010 8.3313 112.8469 59.6501 35.2482 174.5299 115 Y 4.8874 7.2493 117.7599 56.2898 40.7122 174.3493 116 Y 5.3398 8.7487 121.4122 56.2017 41.8980 174.4594 117 S 4.6123 9.4173 119.7169 56.6830 64.5216 172.7285 118 F 4.8407 8.4529 129.2622 55.7904 37.7208 176.4469 119 G 3.9596 9.3214 114.6359 46.6742 0.0000 171.0865 120 G 4.0483 7.8942 107.8260 45.4342 0.0000 174.9365 121 L 4.2113 8.0141 120.6505 54.1287 41.8405 176.6359 122 L 5.1006 8.9960 124.8035 54.1396 44.7028 175.3313 123 M 5.0276 8.8421 118.7906 54.7158 36.1736 173.1239 124 R 5.0405 9.1011 126.6477 54.4131 33.1358 173.9856 125 L 5.0285 8.2784 127.2282 53.3980 45.6390 174.9336 126 E 4.8557 8.3682 126.8989 53.7555 32.5749 175.1578 127 G 4.2710 8.0806 107.1003 44.9577 0.0000 173.5740 128 N 4.9629 8.2237 119.5695 51.3002 38.9981 173.7071 129 Y 4.2783 9.2098 123.2590 58.9956 39.2556 179.4365 130 R 3.3803 7.3680 115.1050 56.7818 30.4258 174.9767 131 N 4.9625 7.9283 110.7503 49.7011 45.7800 174.4147 132 L 4.1186 8.2996 125.9770 55.1100 41.6624 174.5270 133 N 4.7821 7.9937 113.5887 53.2367 37.5442 173.6885 134 N 5.2441 8.2455 117.2192 52.2504 40.7547 174.0158 135 L 4.6306 8.4002 125.2077 53.1005 43.2446 177.0561 136 K 4.3452 8.6547 119.5764 58.6086 32.7770 176.5475 137 Q 4.7851 7.7214 121.3982 55.1687 31.2848 173.3242 138 E 4.2776 8.8151 115.3491 58.5415 30.3458 177.1565 139 N 4.6039 8.1470 114.0328 53.1119 39.3764 172.3670 140 A 4.7960 7.9164 128.8804 52.6548 20.1985 175.7362 141 Y 5.0973 7.8842 121.4127 56.7276 41.3512 175.5358 142 L 4.7107 8.5516 121.9605 53.8210 45.8283 174.5965 143 L 5.2641 8.7093 125.8496 52.9823 45.3672 175.6782 144 I 5.8932 8.9275 123.1675 58.5527 41.1336 174.5826 145 R 4.9656 8.6521 121.8248 54.6251 33.4231 175.8720 146 R 4.1555 7.9608 118.5165 57.0047 30.9205 176.2970 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 S 8.33 4.46 0.00 3.98 3.99 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 3 N 7.55 4.91 0.00 2.71 2.68 0.00 0.00 7.23 6.65 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 4 T 9.15 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 1.19 0.00 0.00 5 L 7.54 3.82 0.00 1.34 0.13 1.03 0.59 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 6 F 7.42 4.55 0.00 3.12 2.88 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 0.00 0.00 0.00 7 D 10.27 5.44 0.00 2.89 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 8 D 8.26 4.55 0.00 2.72 1.95 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 9 I 7.80 4.91 1.78 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 1.36 0.43 0.95 0.00 0.00 10 F 8.78 5.39 0.00 2.96 2.88 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 0.00 0.00 0.00 11 Q 9.39 5.12 0.00 2.08 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.00 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 12 V 8.81 4.10 2.25 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 0.94 0.00 0.00 1.00 0.00 0.00 13 S 9.24 4.56 0.00 3.87 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 14 E 7.97 4.77 0.00 2.02 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 2.28 2.31 0.00 15 V 8.53 4.26 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 0.76 0.00 0.00 0.93 0.00 0.00 16 D 8.21 4.75 0.00 2.80 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 17 P 0.00 4.56 0.00 2.25 2.11 0.00 3.83 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 18 G 7.81 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 0.00 0.00 0.00 19 R 8.42 3.65 0.00 1.70 1.72 0.00 3.29 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 20 Y 7.53 4.92 0.00 2.92 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 21 N 9.00 4.88 0.00 2.72 2.85 0.00 0.00 6.87 7.61 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 22 K 7.92 4.25 0.00 1.76 1.74 0.00 1.86 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.64 1.45 7.81 23 V 8.48 3.32 1.84 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 0.47 0.00 0.00 0.89 0.00 0.00 24 C 8.58 4.97 0.00 3.03 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 25 R 8.38 4.83 0.00 1.97 1.80 0.00 3.20 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 26 I 9.24 4.43 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 1.09 1.07 0.89 0.00 0.00 27 E 8.88 5.08 0.00 2.15 1.81 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 2.22 2.28 0.00 28 A 8.81 5.36 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 29 A 9.08 4.81 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 30 S 8.50 4.60 0.00 4.02 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 31 T 8.39 3.98 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 1.18 0.00 0.00 32 T 9.01 3.75 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 33 Q 7.56 4.42 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.07 0.00 0.00 0.00 0.00 0.00 2.45 2.33 0.00 34 D 8.74 4.48 0.00 2.68 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 35 Q 7.85 4.39 0.00 2.26 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.79 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 36 C 7.39 5.05 0.00 2.98 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 37 K 8.32 4.90 0.00 1.85 1.86 0.00 1.34 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.33 7.81 38 L 8.39 4.89 0.00 1.50 1.52 0.77 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.71 5.18 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 40 L 9.25 5.04 0.00 1.62 1.36 1.02 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.44 5.16 0.00 2.63 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 42 I 8.12 4.23 1.84 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.85 1.00 0.00 0.00 43 N 9.55 4.88 0.00 2.82 2.94 0.00 0.00 6.40 8.56 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 44 V 8.16 3.96 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 1.03 0.00 0.00 0.98 0.00 0.00 45 E 7.93 4.09 0.00 1.99 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 0.00 2.34 2.30 0.00 46 L 8.07 4.70 0.00 1.87 1.66 0.84 0.59 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 47 F 7.83 4.86 0.00 3.46 3.29 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 48 P 0.00 4.29 0.00 2.08 1.97 0.00 3.73 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.90 0.00 49 V 7.78 3.90 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 0.74 0.00 0.00 0.71 0.00 0.00 50 A 7.76 4.39 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 51 A 8.23 4.16 1.24 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 52 Q 8.06 3.71 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 53 D 7.94 4.88 0.00 2.67 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 54 S 8.59 5.26 0.00 3.90 3.88 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 0.00 0.00 0.00 55 L 8.87 5.13 0.00 1.73 1.72 0.99 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.40 4.92 4.45 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 1.33 0.00 0.00 57 V 8.80 4.87 2.47 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 0.99 0.00 0.00 0.99 0.00 0.00 58 T 8.49 4.33 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 1.08 0.00 0.00 59 I 8.68 4.13 2.30 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.27 1.19 0.00 0.00 60 A 8.60 3.79 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 61 S 7.98 4.99 0.00 4.10 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 62 S 8.07 4.61 0.00 3.90 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 63 L 7.08 4.35 0.00 1.50 1.54 0.88 0.80 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 *76 T 7.15 4.13 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 1.24 0.00 0.00 77 R 8.38 3.38 0.00 2.01 1.98 0.00 3.07 0.00 0.00 3.31 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 78 S 8.51 4.35 0.00 4.05 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 79 W 8.42 4.62 0.00 3.18 3.20 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 80 R 7.62 4.12 0.00 1.37 1.49 0.00 3.12 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 81 P 0.00 4.05 0.00 2.03 1.79 0.00 3.52 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.84 0.00 82 P 0.00 4.11 0.00 2.19 2.00 0.00 3.39 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.02 0.00 83 Q 8.26 3.78 0.00 2.06 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.12 2.25 0.00 84 A 7.99 3.71 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 85 G 7.87 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 86 D 8.44 4.34 0.00 2.85 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 87 R 7.87 3.95 0.00 1.75 1.89 0.00 3.30 0.00 0.00 3.12 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 88 S 8.27 4.21 0.00 4.00 3.89 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 89 L 7.64 4.43 0.00 1.87 1.97 0.97 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.86 4.54 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 91 D 8.78 4.05 0.00 2.69 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 92 D 7.48 4.62 0.00 2.52 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 0.00 0.00 0.00 0.00 93 Y 7.27 4.62 0.00 2.92 2.78 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 94 D 8.00 4.48 0.00 2.42 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 95 Y 7.60 3.85 0.00 2.39 2.38 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 96 V 7.92 5.60 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 1.14 0.00 0.00 1.01 0.00 0.00 97 M 8.36 4.87 0.00 1.60 1.14 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.39 0.00 98 Y 8.24 4.86 0.00 2.57 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 7.30 3.93 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 0.00 0.00 0.00 100 T 8.22 4.86 4.16 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 1.21 0.00 0.00 101 A 9.10 5.06 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 0.00 102 Y 8.07 4.55 0.00 2.78 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.78 4.22 0.00 1.65 1.74 0.00 1.58 0.00 0.00 1.81 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.44 7.81 104 F 8.26 5.28 0.00 2.89 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 0.00 105 E 8.55 4.78 0.00 1.80 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 2.28 2.33 0.00 106 E 8.86 5.36 0.00 2.09 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 0.00 2.11 2.05 0.00 107 V 7.61 4.13 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 0.70 0.00 0.00 0.92 0.00 0.00 108 S 7.49 4.38 0.00 3.84 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 0.00 109 K 7.95 4.44 0.00 1.66 1.72 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.47 7.81 110 D 8.92 5.03 0.00 2.74 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 0.00 111 L 8.00 4.06 0.00 1.77 1.61 0.96 0.76 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 0.00 112 I 10.21 3.17 1.83 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.39 0.83 0.00 0.00 113 A 7.92 4.55 0.93 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 0.00 0.00 114 V 8.33 4.60 1.64 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 0.76 0.00 0.00 0.65 0.00 0.00 115 Y 7.25 4.89 0.00 2.09 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 0.00 116 Y 8.75 5.34 0.00 2.72 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 0.00 0.00 0.00 117 S 9.42 4.61 0.00 3.56 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.45 4.84 0.00 3.18 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 0.00 119 G 9.32 3.96 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 0.00 0.00 0.00 120 G 7.89 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 0.00 121 L 8.01 4.21 0.00 1.91 1.69 0.96 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 122 L 9.00 5.10 0.00 1.75 1.69 0.98 0.53 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 0.00 123 M 8.84 5.03 0.00 2.30 2.12 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 2.71 0.00 124 R 9.10 5.04 0.00 2.05 1.76 0.00 3.20 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.45 0.00 125 L 8.28 5.03 0.00 1.62 1.28 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.37 4.86 0.00 1.85 1.78 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 2.16 2.15 0.00 127 G 8.08 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 0.00 0.00 0.00 0.00 128 N 8.22 4.96 0.00 2.66 2.76 0.00 0.00 7.06 7.54 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 0.00 129 Y 9.21 4.28 0.00 2.90 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 0.00 130 R 7.37 3.38 0.00 1.99 1.66 0.00 3.07 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 131 N 7.93 4.96 0.00 2.77 3.05 0.00 0.00 6.93 7.85 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 0.00 132 L 8.30 4.12 0.00 1.70 2.05 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 133 N 7.99 4.78 0.00 2.84 2.91 0.00 0.00 5.89 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 0.00 134 N 8.25 5.24 0.00 3.06 2.77 0.00 0.00 7.09 7.78 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 0.00 135 L 8.40 4.63 0.00 1.78 1.73 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.65 4.35 0.00 2.05 2.02 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.50 7.81 137 Q 7.72 4.79 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 138 E 8.82 4.28 0.00 2.00 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 2.33 2.49 0.00 139 N 8.15 4.60 0.00 2.90 3.07 0.00 0.00 6.80 7.35 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 0.00 140 A 7.92 4.80 1.08 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 0.00 141 Y 7.88 5.10 0.00 2.89 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 0.00 142 L 8.55 4.71 0.00 1.35 0.81 0.93 0.34 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 0.00 143 L 8.71 5.26 0.00 0.96 1.07 0.82 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 144 I 8.93 5.89 1.65 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.26 0.90 0.00 0.00 145 R 8.65 4.97 0.00 1.79 1.99 0.00 3.07 0.00 0.00 2.90 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 146 R 7.96 4.16 0.00 2.17 1.96 0.00 3.21 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.