NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.2576 8.1749 110.9392 61.3447 70.0590 172.8713 6 L 4.4997 8.3192 123.7998 51.5123 43.1041 175.5900 7 D 4.7304 8.6682 124.5803 51.7936 43.3785 176.6559 8 K 3.8150 8.5515 119.3605 60.3077 31.7287 178.4082 9 T 3.9955 7.9131 115.2062 66.3286 68.5922 176.4213 10 D 4.3629 8.6957 121.1941 57.4645 40.8488 178.8949 11 I 3.6682 7.7532 120.0884 64.2421 37.1441 178.1386 12 K 3.9825 7.9447 120.3130 59.7906 31.9347 178.5400 13 I 3.7188 7.9579 119.9949 64.5692 36.9993 178.4613 14 L 3.9978 8.0101 119.5558 57.7288 41.5444 179.3355 15 Q 3.9901 8.4519 118.4855 59.1473 28.6738 179.4613 16 V 3.6513 7.8664 118.8277 66.1633 31.4189 178.1340 17 L 4.3626 7.8753 118.6945 57.1359 41.5083 179.0547 18 Q 4.1397 8.1758 117.7146 58.7554 28.6630 178.0574 19 E 4.4806 7.6814 117.4385 57.0554 30.8679 176.4742 20 N 4.9456 8.2514 116.2648 51.5204 39.2556 174.7872 21 G 4.0343 8.3223 107.1702 46.1995 0.0000 171.6861 22 R 4.4222 7.6352 118.1766 55.5196 30.7856 175.4633 23 L 4.2343 7.7815 116.3364 55.0809 42.3301 177.7155 24 T 4.0448 8.7628 113.0778 61.4602 70.7305 175.0596 25 N 4.1558 8.7176 120.7188 57.0252 38.8649 177.1628 26 V 3.5494 7.7484 118.8281 66.1479 31.4272 177.6331 27 E 3.9176 8.1149 116.8602 59.2579 29.6442 178.7145 28 L 4.1021 8.5685 120.9233 58.4039 42.1053 179.1681 29 S 4.1420 8.4938 114.4327 61.5396 62.5391 175.9450 30 E 3.8915 7.9843 121.9953 59.0469 29.4386 178.5569 31 R 4.2111 7.9196 116.4161 57.5634 30.4365 178.0265 32 V 4.1408 7.6281 109.3953 59.6646 33.1885 174.7468 33 A 3.6692 8.0658 119.7854 53.5277 15.3552 176.9634 34 L 4.9029 7.9500 119.4715 52.5859 46.2271 178.2672 35 S 4.4176 8.2615 116.1693 57.6739 64.8230 173.8656 36 P 4.2597 0.0000 0.0000 65.7586 31.1101 179.0081 37 S 4.0696 8.0126 111.6070 60.8631 62.3881 174.1667 38 P 4.2423 0.0000 0.0000 66.1518 30.9154 177.6955 39 C 4.0520 7.9769 118.0679 62.0878 31.5783 175.3715 40 L 3.9682 8.2779 122.2700 57.8820 41.6396 178.8499 41 R 3.8727 8.1105 118.7123 59.5075 30.0694 178.5588 42 R 3.8969 8.1292 117.9082 59.2595 30.0293 178.7329 43 L 3.9817 7.8873 119.8687 58.2279 42.0860 179.0800 44 K 3.9723 7.9508 117.9300 59.6568 31.9363 179.3261 45 Q 4.0304 8.1384 118.2323 59.0060 28.6320 178.8717 46 L 4.0543 8.1162 120.0139 57.7340 41.5815 179.5097 47 E 3.9605 8.5779 118.9439 59.5861 29.2327 179.1555 48 D 4.3842 8.3957 117.9896 57.1850 40.9860 178.3444 49 A 4.1943 8.2660 120.3419 53.2122 18.3629 178.4499 50 G 3.8831 7.6045 104.8269 45.6742 0.0000 175.0257 51 I 3.6939 7.6333 120.9675 63.9837 37.1907 176.9372 52 V 3.8004 7.5619 122.4460 62.0008 30.9814 175.4170 53 R 4.2454 8.1999 124.3074 57.4615 30.4400 176.2238 54 Q 4.4176 7.2285 115.9055 55.3383 31.6386 172.0818 55 Y 4.6882 8.4460 120.5568 56.1826 39.9950 175.3265 56 A 4.6235 8.3248 125.6126 50.2612 22.3266 175.3710 57 A 4.2093 8.6438 125.7355 51.7343 19.1364 176.7739 58 L 4.6067 8.4019 123.3284 53.1089 43.3912 176.1382 59 L 4.6247 8.0767 122.4298 52.7160 44.2237 176.0085 60 S 4.3588 8.2532 115.4356 57.0587 62.8362 172.7780 61 P 4.0770 0.0000 0.0000 66.0064 31.1638 178.4213 62 E 4.1036 8.1997 116.8010 59.3400 29.1730 179.3853 63 S 4.2585 7.7655 113.4852 60.4293 62.9266 175.4099 64 V 4.2452 7.3841 114.0120 60.6520 32.2210 174.6183 65 N 4.2093 7.9467 116.1201 55.1710 37.8849 174.0725 66 L 4.9393 8.1090 115.4086 53.0890 40.9303 177.1433 67 G 3.8111 8.0523 106.3359 46.1321 0.0000 170.8721 68 L 4.7288 8.4894 123.5313 53.2578 44.7958 174.6149 69 Q 4.5226 8.7926 127.5381 54.1022 31.3571 173.6941 70 A 4.8904 8.7247 128.4727 50.0422 22.4092 174.8916 71 F 5.0030 8.9850 120.3845 55.8515 41.5879 174.6850 72 I 4.8966 9.1001 125.7063 59.5939 39.9518 174.9321 73 R 5.0806 9.2615 127.2439 54.8053 31.9334 175.3572 74 V 4.8840 9.0054 125.2460 61.1394 34.3313 174.3410 75 S 5.2208 8.8870 124.3723 57.2555 64.5290 173.1662 76 I 4.3547 8.8757 126.2247 59.8459 38.7505 175.5134 77 R 3.9401 8.7878 129.9882 56.5015 30.7785 177.0140 78 K 4.2646 8.6299 126.7666 54.9251 31.1165 175.1737 79 A 4.6010 7.9110 124.8997 49.6514 22.2444 175.7216 80 K 3.8707 8.6134 120.9109 58.4990 32.5341 176.7458 81 D 5.1943 9.3650 122.6965 55.0818 39.1291 175.4374 82 A 4.0542 8.0255 122.3903 55.3880 18.2491 180.0714 83 R 3.9890 8.0310 115.8673 59.5727 30.3596 179.0992 84 E 3.9681 8.1457 117.7175 59.5456 29.7268 178.8646 85 D 4.3890 8.7070 119.2724 57.4346 40.8931 178.7588 86 F 3.8334 8.6517 121.2982 60.9157 39.3221 177.0334 87 A 3.5386 8.0998 120.3711 55.0121 17.9742 179.4789 88 A 3.7837 7.6015 117.9087 55.1934 18.6672 179.8286 89 S 3.6818 7.4741 113.2918 61.5303 62.8551 176.8737 90 V 2.6966 6.3685 120.6492 65.9195 30.8104 178.2702 91 R 3.8637 7.3847 116.4051 58.2840 29.9035 178.0871 92 K 4.5736 7.3775 115.8912 55.1329 32.8636 176.5914 93 W 4.9973 7.5698 121.4056 54.5383 28.5449 175.2574 94 P 4.3662 0.0000 0.0000 64.9473 31.1796 178.2621 95 E 3.6907 8.0753 116.0022 58.0200 29.7557 176.3273 96 V 4.3284 7.4331 119.8754 61.6659 31.6020 175.0426 97 L 4.5101 8.6925 128.9590 56.7836 42.5326 177.5019 98 S 4.5680 7.7523 111.0954 57.1378 66.8168 173.0186 99 C 5.0785 7.5948 120.6978 58.4142 34.4275 172.9007 100 F 5.1232 9.2288 124.3668 55.4183 42.4217 174.1827 101 A 4.2630 8.9819 125.4915 51.8723 18.7526 176.6131 102 L 4.8936 8.1538 122.3184 52.9307 44.5620 177.1483 103 T 4.1193 8.5999 110.0724 63.6539 70.0648 176.1736 104 G 4.0632 7.6652 116.6320 45.4396 0.0000 174.1971 105 E 4.0726 8.7149 118.4607 58.4120 30.3109 177.2047 106 T 4.2776 7.6838 117.0124 62.9078 69.4952 174.0614 107 D 4.4306 8.9149 126.8750 57.1080 42.0166 175.9351 108 Y 5.3111 8.3838 115.3458 56.0414 42.4101 174.0191 109 L 5.3050 9.2728 125.9173 53.5278 44.4742 174.9612 110 L 5.4384 9.3530 126.6454 53.2155 44.9526 175.4271 111 Q 4.7987 8.9871 120.8523 54.1016 31.4730 174.6561 112 A 5.0486 8.4806 124.7175 50.4360 23.3841 174.4331 113 F 5.1028 8.3232 117.4130 55.7910 42.2754 174.8614 114 F 4.9770 9.5177 120.5351 56.1209 43.4399 176.0536 115 T 4.5266 9.2494 110.5809 64.3173 70.6844 174.2204 116 D 4.3092 8.0516 124.8276 53.3465 45.4664 176.3434 *118 N 4.5289 9.3377 116.2822 53.3764 41.0419 175.1142 119 A 4.1090 8.5736 119.9341 54.9727 18.3111 179.3098 120 F 2.8222 8.3337 119.3848 61.0653 39.3606 177.0444 121 S 3.9519 8.1300 112.1727 61.8293 62.0467 175.6458 122 H 4.0142 8.0301 118.5726 58.8202 28.3898 177.5186 123 F 3.9420 8.0403 122.1906 61.1437 39.2418 177.2853 124 V 2.9425 7.3522 117.9299 65.8255 31.0986 178.0573 125 L 3.8455 7.5346 117.2711 57.7077 41.6067 178.1541 126 D 4.5266 7.9063 116.6892 55.5300 41.4838 176.7081 127 T 4.1709 7.1393 112.7423 64.9677 70.7766 175.8327 128 L 3.6675 6.8451 122.9598 58.0746 42.2699 179.3266 129 L 4.0559 8.0687 118.6769 57.4222 41.6726 178.7411 130 S 4.2711 7.2058 108.7501 59.7285 63.5297 174.0251 131 H 4.3488 8.2020 123.6046 56.0193 30.1391 175.4700 132 H 4.1820 9.0241 122.7683 58.8901 28.4722 176.3130 133 G 3.7385 7.9762 105.0048 46.8852 0.0000 173.2330 134 V 4.1841 7.5958 121.8263 61.9060 31.5492 175.4563 135 Q 4.2127 8.8758 130.6454 58.8998 29.6526 175.0660 136 D 4.7605 7.7848 115.4072 53.6465 44.7621 173.7477 137 A 5.3587 8.3444 122.5973 50.8739 22.4619 175.5457 138 Q 4.7302 9.0622 117.2670 55.0260 32.3643 173.9125 139 S 5.1814 8.6675 115.8659 57.1383 67.3339 173.0818 140 S 4.6256 8.5206 116.7240 56.8288 67.2748 173.0315 141 F 5.2176 8.3753 118.4052 55.4700 42.9131 174.9844 142 V 3.7929 8.4225 122.3811 63.2327 31.1431 176.1012 143 L 4.2775 8.8050 128.5203 57.0935 42.1567 177.4070 144 K 4.4463 7.5556 116.6739 55.0302 35.0099 174.2006 145 E 4.3720 8.7523 127.2250 55.4757 29.8994 175.8020 146 I 4.0850 8.4353 127.7922 63.4532 37.9116 176.4755 147 K 4.4776 7.6570 118.1716 55.6080 34.8173 174.7358 148 H 4.5711 8.5403 125.5809 55.9141 30.7906 172.0641 149 T 4.6311 8.1656 120.6619 60.4211 70.3188 173.5111 150 T 4.3363 8.1764 113.1177 61.5733 69.7136 174.9432 151 S 4.4520 7.9074 120.1382 58.2040 63.1225 174.1472 152 L 4.2680 8.9086 126.9384 53.4223 42.1342 175.3858 153 P 4.4590 0.0000 0.0000 63.0432 32.0249 176.1437 154 L 4.7169 8.2857 118.1792 54.3912 43.7625 178.1627 155 N 4.4438 8.1574 117.4816 56.1398 38.7699 176.8595 156 H 4.2751 8.2644 112.8262 58.1609 28.6074 176.3989 157 L 4.1099 7.3666 118.9617 56.3431 41.8871 176.8386 158 L 4.1709 7.5504 122.7929 54.9113 41.5310 176.5738 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 5 T 8.17 4.26 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 6 L 8.32 4.50 0.00 1.70 1.62 0.91 0.74 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 7 D 8.67 4.73 0.00 2.96 2.81 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 8 K 8.55 3.82 0.00 1.83 1.87 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.55 7.81 9 T 7.91 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 1.21 0.00 0.00 10 D 8.70 4.36 0.00 2.83 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 11 I 7.75 3.67 2.01 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 1.63 0.83 0.89 0.00 0.00 12 K 7.94 3.98 0.00 2.02 2.00 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.55 7.81 13 I 7.96 3.72 2.05 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 1.53 0.56 0.94 0.00 0.00 14 L 8.01 4.00 0.00 1.86 1.71 0.91 0.85 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 15 Q 8.45 3.99 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 16 V 7.87 3.65 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 1.12 0.00 0.00 0.98 0.00 0.00 17 L 7.88 4.36 0.00 1.81 1.85 1.09 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.18 4.14 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 19 E 7.68 4.48 0.00 2.19 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 2.51 2.49 0.00 20 N 8.25 4.95 0.00 2.77 2.69 0.00 0.00 6.79 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 21 G 8.32 4.03 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 0.00 0.00 0.00 22 R 7.64 4.42 0.00 1.73 1.86 0.00 3.24 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 23 L 7.78 4.23 0.00 1.66 1.58 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.76 4.04 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 1.21 0.00 0.00 25 N 8.72 4.16 0.00 2.83 2.85 0.00 0.00 6.61 7.71 0.00 0.00 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 V 7.75 3.55 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 1.01 0.00 0.00 0.92 0.00 0.00 27 E 8.11 3.92 0.00 2.13 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 2.34 2.31 0.00 28 L 8.57 4.10 0.00 1.79 1.85 0.94 1.15 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 29 S 8.49 4.14 0.00 4.27 4.14 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 0.00 0.00 0.00 0.00 30 E 7.98 3.89 0.00 2.13 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 2.32 2.35 0.00 31 R 7.92 4.21 0.00 1.97 1.97 0.00 3.19 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 32 V 7.63 4.14 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 0.81 0.00 0.00 1.00 0.00 0.00 33 A 8.07 3.67 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 34 L 7.95 4.90 0.00 1.59 1.53 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.26 4.42 0.00 3.86 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 36 P 0.00 4.26 0.00 2.15 2.09 0.00 3.60 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 2.11 2.14 0.00 37 S 8.01 4.07 0.00 3.88 3.85 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 38 P 0.00 4.24 0.00 2.30 2.30 0.00 3.76 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 2.22 2.03 0.00 39 C 7.98 4.05 0.00 3.13 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 40 L 8.28 3.97 0.00 1.93 1.80 0.92 1.07 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 41 R 8.11 3.87 0.00 1.93 2.09 0.00 3.16 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 42 R 8.13 3.90 0.00 2.06 1.98 0.00 3.19 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 43 L 7.89 3.98 0.00 1.94 1.70 0.98 0.97 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 44 K 7.95 3.97 0.00 2.05 1.86 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.62 7.81 45 Q 8.14 4.03 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 46 L 8.12 4.05 0.00 1.89 1.72 0.94 0.82 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 47 E 8.58 3.96 0.00 2.20 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 2.41 2.57 0.00 48 D 8.40 4.38 0.00 2.77 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 49 A 8.27 4.19 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 50 G 7.60 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 0.00 0.00 0.00 51 I 7.63 3.69 2.01 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 1.18 0.57 0.90 0.00 0.00 52 V 7.56 3.80 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 0.29 0.00 0.00 0.89 0.00 0.00 53 R 8.20 4.25 0.00 1.92 1.99 0.00 3.11 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 54 Q 7.23 4.42 0.00 1.92 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.74 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 55 Y 8.45 4.69 0.00 3.03 2.84 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 56 A 8.32 4.62 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 57 A 8.64 4.21 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 58 L 8.40 4.61 0.00 1.64 1.61 0.93 1.00 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 59 L 8.08 4.62 0.00 1.51 1.49 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.25 4.36 0.00 3.84 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 61 P 0.00 4.08 0.00 2.22 1.80 0.00 3.63 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.74 0.00 62 E 8.20 4.10 0.00 1.99 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 2.45 2.35 0.00 63 S 7.77 4.26 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 64 V 7.38 4.25 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 0.68 0.00 0.00 0.94 0.00 0.00 65 N 7.95 4.21 0.00 3.00 2.84 0.00 0.00 7.07 6.52 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 66 L 8.11 4.94 0.00 1.72 1.70 0.74 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.05 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 68 L 8.49 4.73 0.00 1.80 1.84 0.78 0.58 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 69 Q 8.79 4.52 0.00 1.76 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.63 0.00 0.00 0.00 0.00 0.00 1.77 1.16 0.00 70 A 8.72 4.89 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 71 F 8.99 5.00 0.00 2.81 2.94 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 72 I 9.10 4.90 2.10 0.00 0.00 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 1.57 0.88 1.11 0.00 0.00 73 R 9.26 5.08 0.00 1.87 1.91 0.00 3.09 0.00 0.00 3.11 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 74 V 9.01 4.88 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 0.57 0.00 0.00 1.12 0.00 0.00 75 S 8.89 5.22 0.00 3.79 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.88 4.35 2.03 0.00 0.00 0.50 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 0.69 0.98 0.00 0.00 77 R 8.79 3.94 0.00 1.88 1.82 0.00 3.32 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 78 K 8.63 4.26 0.00 1.74 1.73 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.40 1.50 7.81 79 A 7.91 4.60 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 80 K 8.61 3.87 0.00 1.74 1.80 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.52 7.81 81 D 9.36 5.19 0.00 2.97 2.84 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 82 A 8.03 4.05 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 0.00 0.00 83 R 8.03 3.99 0.00 1.97 2.21 0.00 3.21 0.00 0.00 3.47 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.84 0.00 84 E 8.15 3.97 0.00 2.23 2.00 0.00 0.00 0.00 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 2.49 0.00 85 D 8.71 4.39 0.00 3.01 2.87 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 86 F 8.65 3.83 0.00 2.85 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 87 A 8.10 3.54 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 88 A 7.60 3.78 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 89 S 7.47 3.68 0.00 3.27 3.12 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 90 V 6.37 2.70 1.53 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 0.79 0.00 0.00 -0.20 0.00 0.00 91 R 7.38 3.86 0.00 1.81 1.85 0.00 3.11 0.00 0.00 3.13 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 92 K 7.38 4.57 0.00 1.67 1.83 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.47 7.81 93 W 7.57 5.00 0.00 3.57 3.17 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 0.00 94 P 0.00 4.37 0.00 2.02 2.11 0.00 3.77 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 95 E 8.08 3.69 0.00 1.25 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.47 0.00 96 V 7.43 4.33 2.34 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 0.87 0.00 0.00 1.09 0.00 0.00 97 L 8.69 4.51 0.00 1.60 1.75 1.05 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 98 S 7.75 4.57 0.00 3.54 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 99 C 7.59 5.08 0.00 2.88 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 0.00 100 F 9.23 5.12 0.00 3.09 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 0.00 101 A 8.98 4.26 1.04 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 0.00 0.00 102 L 8.15 4.89 0.00 1.72 1.56 0.96 0.93 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 0.00 103 T 8.60 4.12 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 1.19 0.00 0.00 104 G 7.67 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.71 4.07 0.00 2.08 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 0.00 2.27 2.33 0.00 106 T 7.68 4.28 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 1.31 0.00 0.00 107 D 8.91 4.43 0.00 2.86 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 0.00 108 Y 8.38 5.31 0.00 3.00 3.04 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 0.00 109 L 9.27 5.31 0.00 1.90 1.77 1.17 0.83 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 0.00 110 L 9.35 5.44 0.00 1.83 1.67 1.28 1.06 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 0.00 111 Q 8.99 4.80 0.00 1.94 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 1.42 2.44 0.00 112 A 8.48 5.05 1.10 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 0.00 0.00 113 F 8.32 5.10 0.00 2.66 2.73 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 0.00 114 F 9.52 4.98 0.00 3.04 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 0.00 115 T 9.25 4.53 4.30 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 1.31 0.00 0.00 116 D 8.05 4.31 0.00 2.87 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 0.00 0.00 0.00 0.00 *118 N 9.34 4.53 0.00 2.86 2.96 0.00 0.00 6.78 8.29 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 0.00 119 A 8.57 4.11 1.56 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 0.00 0.00 120 F 8.33 2.82 0.00 2.73 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 0.00 121 S 8.13 3.95 0.00 3.92 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 0.00 122 H 8.03 4.01 0.00 3.38 3.32 0.00 5.68 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 8.04 3.94 0.00 3.17 2.84 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 0.00 124 V 7.35 2.94 1.66 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 0.74 0.00 0.00 0.06 0.00 0.00 125 L 7.53 3.85 0.00 1.71 1.61 0.85 1.01 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 0.00 126 D 7.91 4.53 0.00 2.71 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 0.00 127 T 7.14 4.17 3.47 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 0.35 0.00 0.00 128 L 6.85 3.67 0.00 0.64 1.35 1.28 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 129 L 8.07 4.06 0.00 1.57 1.66 0.87 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 130 S 7.21 4.27 0.00 4.03 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 0.00 131 H 8.20 4.35 0.00 3.53 3.43 0.00 5.60 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 H 9.02 4.18 0.00 3.28 3.45 0.00 5.77 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 0.00 133 G 7.98 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 0.00 134 V 7.60 4.18 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 0.69 0.00 0.00 0.84 0.00 0.00 135 Q 8.88 4.21 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.41 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 136 D 7.78 4.76 0.00 2.72 2.43 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 0.00 137 A 8.34 5.36 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 0.00 138 Q 9.06 4.73 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.65 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 139 S 8.67 5.18 0.00 3.70 3.31 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 0.00 140 S 8.52 4.63 0.00 3.63 3.62 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 0.00 141 F 8.38 5.22 0.00 2.85 2.86 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 0.00 142 V 8.42 3.79 2.15 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 0.84 0.00 0.00 1.13 0.00 0.00 143 L 8.80 4.28 0.00 1.71 1.73 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.56 4.45 0.00 1.69 1.65 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.45 7.81 145 E 8.75 4.37 0.00 2.04 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 2.33 2.41 0.00 146 I 8.44 4.08 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 1.32 0.95 0.93 0.00 0.00 147 K 7.66 4.48 0.00 1.69 1.65 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.44 7.81 148 H 8.54 4.57 0.00 3.14 3.24 0.00 5.92 0.00 0.00 0.00 0.00 6.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 T 8.17 4.63 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 1.21 0.00 0.00 150 T 8.18 4.34 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 1.20 0.00 0.00 151 S 7.91 4.45 0.00 3.90 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 0.00 152 L 8.91 4.27 0.00 1.62 1.61 0.93 0.96 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 0.00 153 P 0.00 4.46 0.00 2.21 2.06 0.00 3.71 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 1.98 0.00 154 L 8.29 4.72 0.00 1.67 1.63 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 155 N 8.16 4.44 0.00 2.77 2.87 0.00 0.00 6.84 8.16 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 0.00 156 H 8.26 4.28 0.00 3.26 3.43 0.00 5.52 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 7.37 4.11 0.00 1.71 1.70 0.85 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 158 L 7.55 4.17 0.00 1.78 1.57 0.95 0.60 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 * Residues marked with a * may have inaccurate shift predictions.