NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6759 8.4131 118.1273 53.0765 40.7874 175.0567 3 G 3.8235 7.9302 106.4421 43.7128 0.0000 172.3694 4 A 4.4231 8.2711 122.1754 51.3125 21.6709 175.5367 5 I 4.3747 8.1579 121.5213 59.5253 39.6275 174.7023 6 K 4.8684 8.4609 126.8030 54.2443 34.5617 176.0539 7 V 4.2207 9.0902 124.8954 60.5837 34.3240 174.4536 8 G 2.7401 7.8771 107.9677 43.8821 0.0000 172.6576 9 A 3.9518 8.0066 122.3866 50.3423 20.7080 176.9584 10 W 4.1390 9.1934 121.1613 54.5504 30.5650 175.0618 11 G 3.2965 7.3540 112.8148 44.5548 0.0000 171.6192 12 G 3.9717 7.8925 113.5837 44.6962 0.0000 172.2909 13 N 4.8998 8.5226 113.8750 52.4124 40.5156 175.1681 14 G 3.7664 7.9457 107.3320 45.9594 0.0000 174.5392 15 G 4.7378 8.4950 104.3029 46.3444 0.0000 173.6599 16 S 4.4315 8.3319 115.4304 58.1955 64.0209 173.9559 17 A 4.7654 8.5829 125.2586 52.1139 19.3506 176.6386 18 F 5.0577 8.9122 114.4059 55.7227 42.1464 173.7542 19 D 4.7046 8.6801 119.0170 54.2445 42.6975 174.6888 20 M 4.4774 9.3746 124.1474 54.8155 32.2324 178.1456 21 G 3.4027 8.1393 110.1577 44.2906 0.0000 171.3215 22 P 4.3877 0.0000 0.0000 61.6148 32.7715 174.2770 23 A 4.5493 8.4671 121.5260 50.3808 21.2417 175.8718 24 Y 4.2305 8.4805 119.3908 59.9873 40.1042 175.5071 25 R 4.2752 7.9029 116.1663 55.2635 32.5090 173.7107 26 I 3.9668 8.5864 128.1562 62.5047 37.3239 176.2283 27 I 4.2321 9.4501 129.4700 63.7639 38.3186 176.3472 28 S 4.9098 7.7989 114.1837 57.1584 66.1604 173.2786 29 V 4.7464 8.2158 122.1082 60.9494 34.5352 174.0836 30 K 4.7799 9.3356 128.8068 54.7980 34.7718 174.4947 31 I 4.7440 8.3437 129.7684 60.0850 39.1303 174.9585 32 F 4.9858 9.4157 127.2058 56.1285 40.5807 175.1812 33 S 5.0668 8.7928 118.4025 57.5721 67.0727 173.2583 34 G 4.3393 9.6335 107.7826 46.9299 0.0000 174.2427 35 D 4.5341 9.7628 125.5259 56.5988 42.5205 175.8985 36 V 4.5213 7.2811 116.1356 60.7552 34.8768 172.9957 37 V 4.4606 7.7484 120.1747 61.8847 32.0626 176.6752 38 D 4.7323 9.7245 129.2764 57.1516 41.7121 176.3179 39 A 4.9803 7.7952 117.2339 51.3365 23.1426 175.1579 40 V 5.0199 8.8818 112.2815 60.0745 35.9964 174.5609 41 D 5.1362 9.3996 126.3591 52.9359 43.0340 175.7059 42 V 4.8639 8.3754 122.6177 61.5068 34.6483 174.0403 43 T 5.0554 8.7860 125.1080 61.8502 70.7199 173.6119 44 F 5.3555 8.0257 119.3600 56.0732 42.2788 172.8386 45 T 4.2264 8.8425 117.8723 62.4426 67.8039 174.7587 *46 Y 4.5194 9.3824 132.9712 58.4184 37.0582 172.4364 *47 Y 4.5190 7.0935 117.3275 56.6430 41.3108 179.2861 48 G 3.7619 7.9591 112.3695 48.1068 0.0000 175.0684 49 K 4.2404 7.6696 121.7048 53.9823 32.4741 177.9617 50 T 4.7888 7.7378 111.5035 60.0861 67.4305 173.0941 51 E 4.3728 7.7178 127.2213 55.3101 31.8258 174.9580 52 T 4.7304 7.8491 109.9270 60.1210 71.6112 173.5690 53 R 4.2557 8.6054 123.9787 55.0372 32.7728 175.2864 54 H 4.9627 7.9809 119.2545 53.2709 29.5578 172.7697 55 F 4.5562 8.3715 122.0856 56.9922 41.1522 176.8766 56 G 3.5833 8.8420 108.4904 44.5617 0.0000 171.5297 57 G 4.1825 7.5785 108.8534 43.7449 0.0000 173.2182 58 S 4.0376 8.3910 113.8489 60.4858 63.4543 175.3353 59 G 3.7358 7.7090 107.4098 45.6266 0.0000 172.9320 60 G 3.9884 8.5492 108.5096 45.1003 0.0000 172.4266 61 T 4.6389 7.9578 114.7447 61.0707 70.2144 173.4761 62 P 3.2698 0.0000 0.0000 63.0992 32.2854 175.6240 63 H 4.3944 8.2172 118.4918 54.1844 32.2299 172.3156 64 E 4.5671 8.6962 125.9478 54.6731 30.2308 175.7740 65 I 3.8252 8.4519 130.4040 59.9085 37.5288 175.3937 66 V 3.8792 8.1758 127.4851 62.4807 32.3438 174.9174 67 L 5.0216 7.8705 126.1734 52.9857 43.6906 176.8531 68 Q 4.1901 9.2943 123.1564 54.9328 29.5335 175.2056 69 E 4.0244 8.4693 121.1132 58.0452 29.7801 176.9946 70 G 3.5295 8.9642 114.0283 45.2038 0.0000 171.7129 71 E 4.8033 7.4149 119.6066 53.4226 31.2626 174.6910 72 Y 5.1434 8.0589 122.8289 55.8282 42.0878 174.8908 73 L 4.4313 8.6977 122.7514 55.0278 42.3439 177.5111 74 V 4.7737 8.7671 116.7117 60.1464 34.2145 175.2867 75 G 4.2620 7.7000 104.3859 45.9431 0.0000 172.6136 76 M 5.3851 8.4389 123.9336 53.5192 35.8032 174.0807 77 K 4.0564 8.6485 124.1995 55.6709 36.8668 176.0484 78 G 3.6335 5.9302 105.2064 46.3976 0.0000 171.9196 79 E 5.2396 8.0693 117.0662 54.5777 34.4304 174.7487 80 F 5.4886 8.4190 116.7575 55.4991 41.4531 174.0929 81 G 4.3988 8.8586 107.2262 45.1029 0.0000 171.4700 82 N 5.0016 8.7661 119.5526 53.6259 39.8753 173.9068 83 Y 4.4264 9.4865 128.3024 56.5865 40.3705 174.5313 84 H 3.8235 9.2913 127.3804 56.8727 25.9229 175.9007 85 G 3.9417 8.4964 102.4102 45.8875 0.0000 172.8757 86 V 4.4719 7.4418 118.4220 60.7733 34.9117 174.5454 87 V 4.6831 8.5723 128.1293 62.6025 32.6695 175.0224 88 V 4.8671 8.5970 120.3462 59.2047 36.8203 175.2741 89 V 4.3001 8.6345 115.9177 61.9647 31.8760 177.5007 90 G 3.8906 9.4746 113.1680 46.6477 0.0000 173.1501 91 K 5.3711 7.5344 117.9762 53.6434 37.1431 174.9685 92 L 4.4304 8.1354 119.1927 54.5352 45.4622 173.4139 93 G 4.2981 8.9934 112.7476 44.9290 0.0000 171.6657 94 F 5.8244 8.7233 121.2471 55.6219 42.9292 174.7194 95 S 5.1478 9.2985 115.6228 57.2681 66.1781 173.7725 96 T 5.6763 9.1718 114.9084 59.0181 71.4327 175.3443 97 N 4.5445 8.9554 118.1831 54.7085 36.8264 175.4008 98 K 4.2690 7.1069 115.3389 56.2264 34.5364 176.9844 99 K 4.3575 8.0728 118.1448 54.7428 34.6384 175.7488 100 S 4.8470 7.8304 115.6018 56.8639 64.9661 173.6313 101 Y 4.3116 8.8642 123.9245 58.0669 39.0828 177.6231 102 G 2.6522 8.2549 109.8067 43.4893 0.0000 171.2994 103 P 4.2033 0.0000 0.0000 62.2647 32.5801 175.3737 104 F 4.7834 8.5045 118.6029 56.8867 41.0199 176.5970 105 G 4.5941 8.8804 107.9524 47.5074 0.0000 173.1651 106 N 4.8201 8.3756 116.5306 52.9547 39.6698 175.1608 107 T 4.4228 7.7285 115.6253 62.1479 69.9075 174.4179 108 G 4.1006 8.0689 114.0915 44.0457 0.0000 173.4926 109 G 3.8062 7.7672 105.4163 45.6920 0.0000 172.7599 110 T 3.8574 7.2062 118.6264 63.1021 68.9486 172.7997 111 P 4.8867 0.0000 0.0000 62.4221 32.7139 175.2657 112 F 5.1674 8.5407 115.4998 55.4586 41.8292 173.5636 113 S 4.3324 8.1491 112.4951 57.1611 65.7112 174.1252 114 L 4.7966 8.8775 125.4272 52.5134 42.7144 171.2700 115 P 4.7237 0.0000 0.0000 61.8168 32.5632 175.8753 116 I 4.2980 7.9744 125.3954 59.9594 37.4380 175.9133 117 A 4.0479 8.8894 130.7090 54.3267 18.7541 177.2882 118 A 4.4186 8.2678 118.6670 52.5130 21.1191 175.8624 119 G 3.8349 7.8645 110.8219 46.0529 0.0000 171.1342 120 K 4.5794 7.8866 117.6613 56.3048 36.3343 174.3630 121 I 4.6536 8.5411 123.0630 60.1859 37.9640 176.1100 122 S 4.5602 9.9826 121.3328 55.9566 64.3847 172.9137 123 G 4.2892 6.8465 109.0071 45.1801 0.0000 172.5066 124 F 5.2299 8.1919 121.1992 55.5398 41.9604 175.3562 125 F 5.2485 8.7342 116.8596 55.2505 40.8304 172.2328 126 G 2.9932 6.3185 105.2515 44.4238 0.0000 172.7074 127 R 5.0176 8.3413 118.6509 54.3569 33.8418 175.3653 128 G 4.8960 10.5608 110.4386 44.9399 0.0000 170.4255 129 G 4.0893 8.1729 110.6986 44.8084 0.0000 174.4682 130 D 4.1358 8.8040 124.3648 56.0844 41.1232 175.3786 131 F 5.3912 7.5834 114.4319 54.8590 42.6575 174.2058 132 I 4.1163 8.1859 115.3147 61.3271 37.8066 176.7765 133 D 4.6000 9.1737 127.5712 56.7777 42.0688 176.3085 134 A 5.3918 7.9153 116.9240 50.0179 23.3393 175.0439 135 I 4.7689 8.3094 119.7198 59.2877 41.8959 174.4971 136 G 3.4657 8.3566 116.2135 44.1492 0.0000 171.6470 137 V 5.1307 7.8292 117.4863 60.6820 35.1868 173.3248 138 Y 4.7134 10.0758 123.1683 57.6264 39.1616 174.4834 139 L 5.4808 9.1733 124.2510 53.2855 44.6534 175.6407 140 E 4.8269 8.6465 118.5721 54.3859 33.4544 173.5675 141 P 4.3684 0.0000 0.0000 63.1777 31.6005 176.1287 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 N 8.41 4.68 0.00 2.73 2.90 0.00 0.00 6.75 6.77 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 3 G 7.93 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 4 A 8.27 4.42 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 5 I 8.16 4.37 2.01 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 1.31 0.97 0.89 0.00 0.00 6 K 8.46 4.87 0.00 1.09 1.07 0.00 0.76 0.00 0.00 1.07 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 7 V 9.09 4.22 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 0.89 0.00 0.00 0.90 0.00 0.00 8 G 7.88 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 0.00 0.00 0.00 9 A 8.01 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 W 9.19 4.14 0.00 2.48 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 0.00 0.00 0.00 0.00 11 G 7.35 3.30 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 0.00 12 G 7.89 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.52 4.90 0.00 2.64 2.77 0.00 0.00 6.76 7.65 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 14 G 7.95 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 15 G 8.50 4.74 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 16 S 8.33 4.43 0.00 3.87 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 17 A 8.58 4.77 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.91 5.06 0.00 2.86 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 19 D 8.68 4.70 0.00 2.71 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 20 M 9.37 4.48 0.00 2.81 2.42 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.93 0.00 21 G 8.14 3.40 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 0.00 22 P 0.00 4.39 0.00 2.05 1.92 0.00 3.50 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.90 0.00 23 A 8.47 4.55 0.95 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 0.00 0.00 24 Y 8.48 4.23 0.00 3.01 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 25 R 7.90 4.28 0.00 2.01 1.88 0.00 3.49 0.00 0.00 3.46 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 26 I 8.59 3.97 1.92 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.87 1.01 0.00 0.00 27 I 9.45 4.23 2.05 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 1.35 1.47 0.93 0.00 0.00 28 S 7.80 4.91 0.00 3.82 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 29 V 8.22 4.75 1.87 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 0.75 0.00 0.00 0.90 0.00 0.00 30 K 9.34 4.78 0.00 1.74 1.67 0.00 1.75 0.00 0.00 1.38 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.92 1.20 7.81 31 I 8.34 4.74 1.27 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.58 0.93 0.00 0.00 32 F 9.42 4.99 0.00 2.98 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 33 S 8.79 5.07 0.00 3.95 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 34 G 9.63 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 9.76 4.53 0.00 2.58 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 36 V 7.28 4.52 1.01 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 0.55 0.00 0.00 -0.30 0.00 0.00 37 V 7.75 4.46 2.18 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 1.08 0.00 0.00 1.01 0.00 0.00 38 D 9.72 4.73 0.00 3.02 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 39 A 7.80 4.98 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 40 V 8.88 5.02 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 0.73 0.00 0.00 0.95 0.00 0.00 41 D 9.40 5.14 0.00 2.69 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 42 V 8.38 4.86 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 1.19 0.00 0.00 43 T 8.79 5.06 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 1.17 0.00 0.00 44 F 8.03 5.36 0.00 3.21 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.84 4.23 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 1.41 0.00 0.00 *46 Y 9.38 4.52 0.00 2.36 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 0.00 0.00 0.00 *47 Y 7.09 4.52 0.00 2.28 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 0.00 0.00 0.00 48 G 7.96 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.67 4.24 0.00 1.70 1.71 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 0.99 7.81 50 T 7.74 4.79 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 51 E 7.72 4.37 0.00 1.72 1.48 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 2.31 2.24 0.00 52 T 7.85 4.73 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 1.08 0.00 0.00 53 R 8.61 4.26 0.00 1.37 1.02 0.00 3.52 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.19 0.00 54 H 7.98 4.96 0.00 2.80 3.02 0.00 5.73 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.37 4.56 0.00 2.68 1.68 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 56 G 8.84 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.58 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 58 S 8.39 4.04 0.00 3.77 3.79 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 59 G 7.71 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 60 G 8.55 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 0.00 0.00 0.00 61 T 7.96 4.64 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 1.13 0.00 0.00 62 P 0.00 3.27 0.00 1.70 1.43 0.00 3.60 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.90 0.00 63 H 8.22 4.39 0.00 2.39 2.42 0.00 5.59 0.00 0.00 0.00 0.00 6.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.70 4.57 0.00 1.86 1.83 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 2.16 2.25 0.00 65 I 8.45 3.83 1.57 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 0.44 0.63 -0.01 0.00 0.00 66 V 8.18 3.88 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 0.78 0.00 0.00 0.94 0.00 0.00 67 L 7.87 5.02 0.00 1.75 1.56 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 9.29 4.19 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.98 0.00 0.00 0.00 0.00 0.00 2.52 2.44 0.00 69 E 8.47 4.02 0.00 1.91 1.86 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 2.31 2.39 0.00 70 G 8.96 3.53 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 0.00 0.00 0.00 71 E 7.41 4.80 0.00 1.86 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 0.00 2.25 2.36 0.00 72 Y 8.06 5.14 0.00 2.98 2.71 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 0.00 0.00 0.00 0.00 73 L 8.70 4.43 0.00 1.67 1.75 0.91 0.92 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 74 V 8.77 4.77 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 1.12 0.00 0.00 1.13 0.00 0.00 75 G 7.70 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 M 8.44 5.39 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 77 K 8.65 4.06 0.00 1.47 1.52 0.00 1.19 0.00 0.00 1.49 0.00 0.00 2.71 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.07 1.08 7.81 78 G 5.93 3.63 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 0.00 0.00 0.00 79 E 8.07 5.24 0.00 1.85 1.68 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 2.25 2.05 0.00 80 F 8.42 5.49 0.00 3.31 3.22 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 81 G 8.86 4.40 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 0.00 82 N 8.77 5.00 0.00 2.81 2.80 0.00 0.00 6.66 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 83 Y 9.49 4.43 0.00 2.87 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 84 H 9.29 3.82 0.00 2.97 3.29 0.00 5.86 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 85 G 8.50 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.44 4.47 2.42 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 1.11 0.00 0.00 1.12 0.00 0.00 87 V 8.57 4.68 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 1.17 0.00 0.00 1.02 0.00 0.00 88 V 8.60 4.87 2.33 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 0.82 0.00 0.00 0.73 0.00 0.00 89 V 8.63 4.30 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.09 0.00 0.00 90 G 9.47 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 0.00 0.00 0.00 91 K 7.53 5.37 0.00 1.66 1.55 0.00 2.10 0.00 0.00 1.64 0.00 0.00 2.69 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.38 7.81 92 L 8.14 4.43 0.00 1.73 1.51 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.99 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 0.00 0.00 0.00 0.00 94 F 8.72 5.82 0.00 3.29 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 95 S 9.30 5.15 0.00 3.90 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 96 T 9.17 5.68 4.42 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 1.38 0.00 0.00 97 N 8.96 4.54 0.00 2.99 3.18 0.00 0.00 5.79 6.43 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 98 K 7.11 4.27 0.00 1.83 1.78 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.47 7.81 99 K 8.07 4.36 0.00 1.62 1.32 0.00 1.36 0.00 0.00 0.94 0.00 0.00 2.68 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.00 1.20 7.81 100 S 7.83 4.85 0.00 3.76 3.72 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 0.00 101 Y 8.86 4.31 0.00 3.27 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 0.00 102 G 8.25 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 0.00 0.00 0.00 103 P 0.00 4.20 0.00 2.01 1.84 0.00 3.55 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.82 0.00 104 F 8.50 4.78 0.00 3.17 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 0.00 105 G 8.88 4.59 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 0.00 0.00 0.00 0.00 106 N 8.38 4.82 0.00 2.72 2.85 0.00 0.00 6.92 7.15 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 0.00 107 T 7.73 4.42 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 1.29 0.00 0.00 108 G 8.07 4.10 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 0.00 109 G 7.77 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 0.00 110 T 7.21 3.86 3.58 0.00 0.00 0.00 0.00 0.00 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 0.00 111 P 0.00 4.89 0.00 1.92 1.90 0.00 3.58 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.86 0.00 112 F 8.54 5.17 0.00 2.47 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 0.00 113 S 8.15 4.33 0.00 3.71 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 0.00 114 L 8.88 4.80 0.00 1.64 1.69 1.28 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 4.72 0.00 2.13 2.05 0.00 3.83 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 116 I 7.97 4.30 2.13 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.68 0.97 0.00 0.00 117 A 8.89 4.05 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 0.00 118 A 8.27 4.42 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 0.00 119 G 7.86 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 0.00 120 K 7.89 4.58 0.00 1.91 1.84 0.00 0.80 0.00 0.00 0.73 0.00 0.00 2.64 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 1.19 7.81 121 I 8.54 4.65 1.91 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.67 0.67 0.00 0.00 122 S 9.98 4.56 0.00 3.74 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 0.00 123 G 6.85 4.29 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 0.00 124 F 8.19 5.23 0.00 3.32 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 0.00 125 F 8.73 5.25 0.00 3.19 3.36 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 0.00 126 G 6.32 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 0.00 0.00 0.00 127 R 8.34 5.02 0.00 1.84 1.97 0.00 3.00 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.41 0.00 128 G 10.56 4.90 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 0.00 129 G 8.17 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 0.00 130 D 8.80 4.14 0.00 2.55 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 0.00 0.00 0.00 131 F 7.58 5.39 0.00 3.05 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 0.00 132 I 8.19 4.12 2.04 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.87 1.16 0.00 0.00 133 D 9.17 4.60 0.00 2.72 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 0.00 134 A 7.92 5.39 1.05 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 0.00 135 I 8.31 4.77 2.02 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.79 1.06 0.00 0.00 136 G 8.36 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 0.00 0.00 0.00 0.00 137 V 7.83 5.13 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.98 0.00 0.00 138 Y 10.08 4.71 0.00 2.85 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 L 9.17 5.48 0.00 1.48 1.57 0.99 0.71 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 0.00 140 E 8.65 4.83 0.00 1.98 1.97 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 2.10 2.15 0.00 141 P 0.00 4.37 0.00 2.17 2.05 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 * Residues marked with a * may have inaccurate shift predictions.