NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.7020 8.2233 120.4273 54.5818 42.7470 173.9947 3 Y 5.0361 8.4024 118.4932 56.4845 42.8423 170.5616 4 E 4.7066 10.1734 122.2402 55.0276 32.2055 175.1040 5 I 4.7931 8.2774 124.1654 59.2558 40.4341 174.3438 6 L 4.6158 8.7289 129.3999 53.2243 44.2446 174.7675 7 F 5.3053 8.7715 124.6810 55.7872 41.3137 174.9574 8 S 4.8492 9.3403 117.7114 56.7353 64.9707 174.4805 9 D 4.5549 9.1344 126.0180 55.9217 40.9636 176.6946 10 E 4.0846 8.1462 120.7502 56.4293 30.0135 175.6710 11 T 4.8274 8.0925 112.7145 60.7316 71.1294 173.3307 12 M 5.0037 8.9023 122.1165 54.1043 37.5301 173.9038 13 N 5.5825 8.6992 118.0170 52.0207 39.2623 175.4205 14 Y 2.6729 8.2092 119.2853 60.4783 38.6105 178.2875 15 A 3.7621 7.7674 120.8232 55.3003 18.5727 179.2231 16 D 4.3160 8.0140 116.6671 57.1655 40.8787 178.6664 17 A 4.0749 7.9761 121.6935 55.1669 18.3957 179.8985 18 G 3.4159 7.6112 104.0883 48.2267 0.0000 176.1007 19 T 3.8967 7.7807 117.7744 66.4164 68.2313 176.2343 20 Y 4.0111 8.2487 120.9992 60.7949 39.0060 177.4161 21 C 4.3876 8.3924 117.3521 60.2787 40.0186 175.9916 22 Q 4.3767 8.3848 121.1565 58.3189 28.0960 178.6184 23 S 4.3652 7.9727 112.5241 59.4449 63.2197 175.0382 24 R 4.4240 7.7115 121.5345 55.5626 30.3276 175.8683 25 G 3.8334 7.8910 104.6186 46.5115 0.0000 172.7256 26 M 4.9646 7.5954 118.3784 53.0815 36.2441 173.9360 27 A 5.0422 8.8056 120.3529 49.6397 22.9259 175.5342 28 L 4.4416 8.6016 121.6481 55.1109 42.9541 177.2788 29 V 3.4489 8.6452 125.8947 63.1335 31.7584 175.1904 30 S 4.2578 8.9436 118.5365 58.1077 70.0800 176.1577 31 S 3.7634 7.9472 116.2539 60.3859 63.0545 176.4800 32 A 3.3344 8.5892 124.4310 54.6397 17.6563 179.2946 33 M 3.9402 7.3376 116.3448 57.5300 32.0426 178.0071 34 R 4.3073 7.0642 116.2347 55.2407 30.9321 175.4787 35 D 4.6737 7.1979 120.2095 52.6191 42.2399 176.4875 36 S 4.1073 8.9828 122.7986 62.2384 62.7261 176.8376 37 T 3.9542 7.9140 118.7918 66.3860 68.3597 176.4399 38 M 4.0294 7.9702 120.7962 58.5118 31.9315 179.2364 39 V 3.5617 8.2211 119.4059 64.9008 31.4479 178.6155 40 K 3.9920 7.7638 117.6428 58.8473 31.6904 179.3120 41 A 4.0196 7.9121 120.7828 55.2010 18.4675 179.6781 42 I 3.8949 8.1255 118.7691 64.7565 37.1643 178.7481 43 L 4.1841 8.6968 121.0744 56.7422 41.3071 179.3318 44 A 3.9713 8.0058 121.2429 54.9713 18.3187 179.3777 45 F 3.7159 8.0055 119.2254 61.6765 39.1875 177.5815 46 T 3.9299 7.8909 109.0707 64.5688 68.1788 175.9023 47 E 3.9058 8.1197 121.7034 59.1100 29.7328 178.6769 48 V 3.6381 7.1995 116.6578 66.0528 30.6465 177.9830 49 K 4.1127 8.0382 118.1175 57.0871 31.5657 177.9091 50 G 4.1782 7.9724 105.9830 46.7598 0.0000 172.4452 51 H 5.0701 7.5732 114.5332 53.2374 32.5122 173.5199 52 D 5.0557 8.5445 119.2597 54.8200 42.1335 175.3275 53 Y 5.0268 8.7299 118.5427 56.1052 42.5984 175.0887 54 W 5.1213 9.2980 122.8958 56.9683 30.2579 175.8799 55 V 4.7273 8.9190 114.0810 59.0009 35.6294 176.1870 56 G 4.3320 9.3738 110.0810 45.9745 0.0000 173.1745 57 A 5.4300 7.7411 120.3844 50.4756 23.5761 176.1868 58 D 4.9988 8.7843 119.0549 52.8423 43.6363 175.4749 59 N 4.9049 8.6754 113.4640 52.4774 37.4233 176.7888 60 L 4.0496 8.3024 121.8773 58.4768 41.9963 178.8008 61 Q 4.0762 8.1985 118.6073 58.7583 29.1149 176.1392 62 D 4.6221 7.9480 113.2584 52.9135 42.2480 177.0345 63 G 3.8163 8.7526 110.5677 44.5721 0.0000 174.6354 64 A 3.6179 7.8046 120.7302 52.8663 16.8007 178.3947 65 Y 4.5638 7.9779 107.5505 60.0567 38.8278 175.7481 66 N 5.0952 7.3005 116.3921 52.0894 36.8387 176.2355 67 F 4.4939 7.9296 119.3403 57.5838 40.9325 175.8140 68 L 5.2515 9.0372 123.5684 52.5341 45.2126 176.3766 69 W 4.9609 9.4549 122.9264 56.4758 29.9744 177.3971 70 N 4.5259 9.6783 120.8100 55.7843 38.1462 175.7374 71 D 4.7904 8.4174 116.4732 52.8988 39.6596 177.2996 72 G 4.0526 8.3769 110.1303 45.5917 0.0000 174.6355 73 V 4.0066 7.5302 119.0206 62.6050 32.7604 175.3569 74 S 4.7060 8.8427 122.1932 58.3243 63.3206 173.2838 75 L 4.6235 8.8077 129.9479 52.6080 42.3061 174.0908 76 P 4.4306 0.0000 0.0000 63.0553 31.7206 177.9061 77 T 3.7434 8.9666 120.6247 66.1043 68.4888 174.3677 78 D 4.9578 7.9438 119.0017 52.7605 40.0941 176.2946 79 S 4.3639 8.9893 115.1799 59.1098 62.7934 174.7584 80 D 4.6793 8.6133 124.9779 56.1691 40.9226 177.6546 81 L 4.1345 8.5601 120.2107 56.7865 41.9404 177.1005 82 W 4.7948 7.6421 118.3575 56.2943 29.3282 176.8438 83 S 4.2945 9.5101 120.3584 57.7569 63.8649 171.9913 84 P 4.0913 0.0000 0.0000 63.5241 31.6075 176.2089 85 N 4.2139 8.8489 120.3144 54.3066 35.9464 173.8356 86 E 4.6085 7.5649 114.9216 53.5408 33.6895 174.1203 87 P 4.0454 0.0000 0.0000 62.7188 31.7747 176.5863 88 S 4.6385 8.4998 110.4460 57.2145 65.3127 174.1372 89 N 4.2186 8.4882 119.0613 51.9956 39.0852 173.0493 90 P 3.9332 0.0000 0.0000 62.9902 31.5258 177.6162 91 Q 3.9848 8.4459 121.5136 57.3101 28.6054 177.7624 92 S 4.4275 7.6652 112.0424 58.9581 64.0225 174.6851 93 W 4.5093 7.8973 120.9730 56.1625 29.4668 175.8844 94 Q 4.2451 8.6182 119.8492 55.8016 28.3918 175.5807 95 L 5.2074 9.7219 123.9545 53.1723 44.6382 175.3237 96 C 5.0605 9.2606 120.5570 55.0831 39.8303 172.8349 97 V 5.1206 8.4361 120.8918 61.4305 33.8077 174.5305 98 Q 5.1613 8.9075 123.8435 54.6551 33.1702 173.9273 99 I 4.7285 9.1498 121.1647 59.8597 38.4426 175.0795 100 W 5.2412 9.2737 135.0000 56.2677 31.0837 177.4143 101 S 3.6658 9.5320 123.2115 61.0777 62.6553 175.6343 102 K 3.3619 7.1166 121.2952 58.6261 31.4997 176.5092 103 Y 4.4595 6.9004 111.4325 56.2482 39.7914 174.5410 104 N 4.3018 8.9860 118.1354 54.5005 37.9958 173.0248 105 L 5.0313 7.6276 113.5390 52.2775 47.0921 176.2920 106 L 4.6732 8.7631 120.5827 55.5678 42.8512 176.0220 107 D 5.3618 8.9797 120.1186 53.2710 45.2704 173.3773 108 D 5.5300 8.6829 123.5509 52.3868 41.2603 175.7392 109 V 4.6659 8.9430 114.7326 59.4848 36.9012 174.7014 110 G 4.1754 8.9061 108.6772 46.6511 0.0000 174.4460 111 C 4.9184 8.8905 116.8432 56.8678 40.4822 175.7685 112 G 3.6231 8.0718 109.7220 46.8793 0.0000 175.0540 113 G 3.9324 8.1030 106.9895 46.0604 0.0000 172.6510 114 A 4.7933 8.5106 124.2843 51.4748 19.5820 177.0312 115 R 4.5481 9.1845 120.5881 54.2104 35.4805 175.0204 116 R 4.5503 7.9728 119.1471 55.8865 31.4309 175.9872 117 V 4.9450 8.3180 120.0438 61.3172 34.9983 174.4021 118 I 4.9561 8.4858 126.1900 59.8803 40.4585 175.0460 119 C 5.5933 9.1976 124.8693 55.0475 42.3203 172.8103 120 E 5.2445 9.4504 118.9939 54.7115 33.4450 174.9170 121 K 4.7200 8.6733 121.6007 55.0226 35.3255 174.9686 122 E 4.2089 8.9785 129.1422 56.1155 30.6061 175.6620 123 L 4.6727 8.6910 128.3560 53.5757 44.1511 177.1241 *124 D 4.5683 8.5990 121.7741 53.2065 40.4584 172.4158 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 D 8.22 4.70 0.00 2.67 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 3 Y 8.40 5.04 0.00 2.79 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 4 E 10.17 4.71 0.00 1.88 1.85 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 2.25 2.27 0.00 5 I 8.28 4.79 1.67 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.71 0.17 0.00 0.00 6 L 8.73 4.62 0.00 1.68 1.46 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 7 F 8.77 5.31 0.00 2.71 2.93 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 8 S 9.34 4.85 0.00 3.96 3.57 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 9 D 9.13 4.55 0.00 2.75 2.70 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 10 E 8.15 4.08 0.00 1.92 1.75 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 2.32 2.26 0.00 11 T 8.09 4.83 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 12 M 8.90 5.00 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 13 N 8.70 5.58 0.00 3.12 3.22 0.00 0.00 6.35 7.57 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 14 Y 8.21 2.67 0.00 1.43 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.77 3.76 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 16 D 8.01 4.32 0.00 2.70 2.75 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 17 A 7.98 4.07 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 18 G 7.61 3.42 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 0.00 19 T 7.78 3.90 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 20 Y 8.25 4.01 0.00 2.99 3.23 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 21 C 8.39 4.39 0.00 3.19 3.26 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 22 Q 8.38 4.38 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 23 S 7.97 4.37 0.00 3.96 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 24 R 7.71 4.42 0.00 1.73 1.91 0.00 3.11 0.00 0.00 3.07 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.44 0.00 25 G 7.89 3.83 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 26 M 7.60 4.96 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.47 0.00 27 A 8.81 5.04 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 28 L 8.60 4.44 0.00 1.63 1.65 0.98 0.56 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 29 V 8.65 3.45 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 0.77 0.00 0.00 0.75 0.00 0.00 30 S 8.94 4.26 0.00 3.96 4.13 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 31 S 7.95 3.76 0.00 4.06 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 32 A 8.59 3.33 0.36 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 33 M 7.34 3.94 0.00 1.85 1.40 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.51 0.00 34 R 7.06 4.31 0.00 1.73 1.85 0.00 3.10 0.00 0.00 2.92 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.02 0.00 35 D 7.20 4.67 0.00 2.70 2.65 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 36 S 8.98 4.11 0.00 4.08 4.13 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 37 T 7.91 3.95 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 1.23 0.00 0.00 38 M 7.97 4.03 0.00 1.74 2.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.77 0.00 39 V 8.22 3.56 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 1.04 0.00 0.00 0.93 0.00 0.00 40 K 7.76 3.99 0.00 1.87 1.90 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.71 1.60 7.81 41 A 7.91 4.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 3.89 1.98 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.94 0.00 0.00 43 L 8.70 4.18 0.00 1.68 1.85 0.93 0.53 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 44 A 8.01 3.97 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 45 F 8.01 3.72 0.00 2.74 2.75 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 46 T 7.89 3.93 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 47 E 8.12 3.91 0.00 2.31 2.17 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 2.30 2.44 0.00 48 V 7.20 3.64 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.87 0.00 0.00 49 K 8.04 4.11 0.00 2.09 2.04 0.00 2.18 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.21 1.43 7.81 50 G 7.97 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.57 5.07 0.00 3.16 3.03 0.00 5.66 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 8.54 5.06 0.00 2.49 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 53 Y 8.73 5.03 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 54 W 9.30 5.12 0.00 3.27 3.25 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 55 V 8.92 4.73 2.48 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 0.84 0.00 0.00 1.12 0.00 0.00 56 G 9.37 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 57 A 7.74 5.43 0.33 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 58 D 8.78 5.00 0.00 2.74 2.46 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 59 N 8.68 4.90 0.00 2.48 2.24 0.00 0.00 7.44 6.93 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 60 L 8.30 4.05 0.00 1.76 1.79 1.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 8.20 4.08 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 62 D 7.95 4.62 0.00 2.64 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 63 G 8.75 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.80 3.62 1.02 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 0.00 0.00 65 Y 7.98 4.56 0.00 2.94 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 66 N 7.30 5.10 0.00 2.64 2.75 0.00 0.00 6.86 7.60 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 67 F 7.93 4.49 0.00 3.29 2.91 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 68 L 9.04 5.25 0.00 1.58 1.60 0.96 0.73 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 69 W 9.45 4.96 0.00 3.50 3.14 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 70 N 9.68 4.53 0.00 2.76 2.98 0.00 0.00 6.87 8.09 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 71 D 8.42 4.79 0.00 2.82 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.38 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 73 V 7.53 4.01 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 1.04 0.00 0.00 0.99 0.00 0.00 74 S 8.84 4.71 0.00 4.02 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 75 L 8.81 4.62 0.00 0.85 1.43 -0.10 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.43 0.00 2.36 2.16 0.00 3.84 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 77 T 8.97 3.74 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 1.09 0.00 0.00 78 D 7.94 4.96 0.00 2.79 2.75 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 79 S 8.99 4.36 0.00 3.95 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 80 D 8.61 4.68 0.00 2.72 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 81 L 8.56 4.13 0.00 1.45 1.57 1.07 0.85 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 82 W 7.64 4.79 0.00 3.09 3.06 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 83 S 9.51 4.29 0.00 3.84 3.34 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 84 P 0.00 4.09 0.00 1.57 1.82 0.00 2.20 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.83 0.00 85 N 8.85 4.21 0.00 2.88 2.90 0.00 0.00 6.81 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 86 E 7.56 4.61 0.00 2.08 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.65 0.00 87 P 0.00 4.05 0.00 0.84 0.49 0.00 2.59 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.45 0.00 88 S 8.50 4.64 0.00 3.88 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 89 N 8.49 4.22 0.00 2.79 2.19 0.00 0.00 6.94 8.54 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 90 P 0.00 3.93 0.00 1.18 1.68 0.00 2.20 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.66 0.00 91 Q 8.45 3.98 0.00 1.80 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.81 0.00 0.00 0.00 0.00 0.00 1.16 1.27 0.00 92 S 7.67 4.43 0.00 4.03 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 93 W 7.90 4.51 0.00 3.37 3.11 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 0.00 0.00 0.00 0.00 94 Q 8.62 4.25 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 95 L 9.72 5.21 0.00 1.72 1.88 1.17 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 96 C 9.26 5.06 0.00 2.69 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 0.00 0.00 0.00 97 V 8.44 5.12 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 0.61 0.00 0.00 0.80 0.00 0.00 98 Q 8.91 5.16 0.00 2.09 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 99 I 9.15 4.73 2.05 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 0.99 1.03 0.00 0.00 100 W 9.27 5.24 0.00 3.41 3.28 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 0.00 101 S 9.53 3.67 0.00 4.05 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 0.00 102 K 7.12 3.36 0.00 0.79 0.74 0.00 1.26 0.00 0.00 0.61 0.00 0.00 2.51 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.30 0.62 7.81 103 Y 6.90 4.46 0.00 2.90 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 0.00 104 N 8.99 4.30 0.00 2.79 2.89 0.00 0.00 6.90 5.12 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 0.00 105 L 7.63 5.03 0.00 1.68 1.75 0.99 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.76 4.67 0.00 1.09 0.91 0.47 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 107 D 8.98 5.36 0.00 3.13 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 D 8.68 5.53 0.00 2.89 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 0.00 109 V 8.94 4.67 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 0.55 0.00 0.00 1.14 0.00 0.00 110 G 8.91 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.89 4.92 0.00 2.98 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 0.00 112 G 8.07 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 0.00 0.00 0.00 113 G 8.10 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 0.00 114 A 8.51 4.79 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 0.00 115 R 9.18 4.55 0.00 0.76 1.46 0.00 2.21 0.00 0.00 2.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.12 0.00 116 R 7.97 4.55 0.00 0.75 1.36 0.00 2.51 0.00 0.00 2.51 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.08 0.00 117 V 8.32 4.94 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 1.18 0.00 0.00 0.86 0.00 0.00 118 I 8.49 4.96 1.87 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.94 0.50 0.00 0.00 119 C 9.20 5.59 0.00 2.81 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 0.00 120 E 9.45 5.24 0.00 1.87 1.82 0.00 0.00 0.00 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 2.24 0.00 121 K 8.67 4.72 0.00 1.84 1.78 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.37 7.81 122 E 8.98 4.21 0.00 1.92 1.72 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 2.00 1.80 0.00 123 L 8.69 4.67 0.00 1.46 1.47 0.90 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 *124 D 8.60 4.57 0.00 2.66 2.39 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 * Residues marked with a * may have inaccurate shift predictions.