NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7920 8.2676 119.2190 53.5514 40.0476 173.2802 4 E 5.4358 8.3852 121.9407 53.3164 32.9132 172.6773 *6 H 4.5938 8.6193 114.6964 55.8342 30.8489 174.0376 7 L 4.8097 9.0763 125.0279 53.8245 45.3220 174.9024 8 Q 5.8754 8.7526 124.1008 53.5332 32.5235 174.6314 9 F 4.8507 7.6652 112.4534 55.9150 40.3970 173.3392 10 S 4.5105 9.1392 115.7839 58.1051 63.4368 175.0862 11 A 4.5358 8.6122 125.6327 52.1283 15.7106 177.0738 12 R 4.6939 7.7349 121.7109 53.5220 32.9416 178.5495 13 S 4.9929 9.0020 116.2979 60.5827 62.9852 175.8640 14 E 4.1812 8.1919 117.2277 57.8692 29.8368 177.3462 15 N 4.7788 8.3427 117.1216 53.4133 39.4123 176.4534 16 E 3.9268 7.8739 121.1626 59.5131 29.6088 178.9742 17 S 4.0569 8.0513 112.4026 61.4455 62.4144 175.5838 18 F 4.0831 8.3047 122.5135 61.2674 38.9784 176.7872 19 A 3.2917 7.7474 120.2848 55.0163 18.1374 179.9285 20 R 3.8215 7.6851 114.2534 59.2362 29.4778 179.1995 21 V 3.5073 7.8273 119.1730 65.9179 31.6230 178.0867 22 T 3.6760 7.6715 115.7070 66.5359 68.2397 176.4718 23 V 3.5151 7.7232 119.7329 66.1728 31.6367 177.6983 24 A 4.0059 8.2595 120.2606 55.3184 17.8740 179.5096 25 A 3.9355 7.8610 118.4907 55.2581 18.4687 179.3725 26 F 4.2349 8.1865 118.9432 61.4645 39.4697 177.6886 27 V 3.5250 8.1038 117.6620 65.5561 31.2408 177.5063 28 A 4.0638 7.9588 120.7548 54.6629 17.8882 179.1327 29 Q 3.9474 7.4404 114.8334 58.2270 28.5514 177.4754 30 L 4.3489 7.8492 120.4476 53.0618 43.0861 176.1308 31 D 4.2408 7.8911 117.6825 54.6738 39.7678 170.4351 32 P 4.8134 0.0000 0.0000 62.6703 34.6296 177.4067 33 T 4.5641 8.1319 119.5272 63.6765 66.8083 176.7544 *35 D 4.4554 8.9417 130.1468 55.3854 42.5358 177.0055 36 E 3.8537 8.1146 117.8964 59.5671 29.2748 179.4519 37 L 3.9807 8.1683 119.0510 58.0536 41.6795 179.5736 38 T 3.8305 7.7227 115.2093 66.6550 68.3700 176.3794 39 E 3.7662 8.2457 120.6200 59.2417 29.3942 179.3616 40 I 3.7666 7.6452 122.0590 65.1046 37.1702 179.3299 41 K 4.0685 8.2713 124.5656 59.9633 31.4577 181.1776 42 T 4.1015 8.0292 116.5603 66.6145 68.3836 176.9419 43 V 3.5436 8.4950 120.4952 66.0089 31.5117 178.1398 44 V 3.5581 8.1758 118.2308 66.1767 31.3973 177.8483 45 S 4.1502 8.2632 112.9165 61.3483 62.0102 175.9671 46 E 3.8249 8.6868 121.2592 59.4259 29.3288 179.2651 47 A 3.8477 8.1835 120.9864 55.1276 18.4738 179.8290 48 V 3.6198 8.2689 117.2376 66.5119 31.5378 178.3916 49 T 3.9311 7.9874 115.5308 66.4949 68.1400 176.2831 50 N 4.2659 7.9461 118.1710 56.3010 38.2448 177.0613 51 A 3.9398 7.8170 121.7908 55.2814 18.4219 179.7952 52 I 3.8675 7.7932 118.2931 64.6298 37.3814 178.8220 53 I 3.7725 7.9358 114.0812 64.2411 37.3068 177.3897 54 H 4.5320 8.4515 118.4134 57.9951 28.8561 177.8068 55 G 3.2978 7.9506 106.9266 47.2712 0.0000 173.6485 56 Y 4.9219 7.3829 114.4001 56.4390 40.5575 174.3667 57 N 4.9243 8.1485 115.7179 54.7313 36.2381 173.3477 58 N 4.1529 8.3855 107.3950 53.9565 37.7972 174.6024 59 D 4.6926 7.7787 118.3556 51.9187 41.0332 175.1238 60 P 4.4311 0.0000 0.0000 65.0319 31.1958 177.4741 61 N 4.3249 8.0811 115.1106 55.2424 38.8507 175.2780 62 G 2.8911 7.5798 106.1144 45.6627 0.0000 172.7211 63 I 4.9205 7.2690 120.2549 59.1998 40.5719 175.1041 64 V 4.2113 8.0096 126.9131 61.3043 33.6726 174.3060 65 S 5.0871 8.9992 122.3763 56.5921 65.0238 172.4186 66 I 5.0857 9.3261 128.3885 59.6814 39.9412 174.8669 67 S 5.0137 9.3617 122.8087 56.7988 66.6883 173.8707 68 V 4.7190 7.9501 121.8012 61.6545 34.0644 173.4108 69 I 4.7221 8.8933 129.8614 59.8264 38.7646 174.9111 70 I 4.9563 8.4971 128.8460 59.7728 39.2703 175.3417 71 E 4.5390 9.4446 123.4169 56.9928 33.3805 175.1007 72 D 4.3074 9.9285 125.8821 55.5727 38.4578 174.5295 73 G 3.8771 8.2146 102.7814 45.7239 0.0000 173.1210 74 V 4.2922 7.9955 120.4060 60.6663 33.6321 174.4942 75 V 4.2872 8.8286 127.9781 62.3358 32.5148 174.6072 76 H 4.7309 9.2123 127.8527 54.4459 29.4475 173.3280 77 L 5.1018 8.5632 126.0800 53.7361 44.2182 175.2291 78 T 5.2321 8.9708 121.8168 61.8397 72.9744 172.8684 79 V 4.9190 8.9263 125.4632 61.2585 34.2841 174.5365 80 R 5.3522 9.3934 126.3928 54.7141 34.5411 174.0783 81 D 4.9099 8.6405 118.7813 51.8891 42.8985 175.7150 82 E 4.7583 8.6717 122.8064 54.8110 28.6422 174.2821 83 G 4.1265 7.6831 109.6460 43.5979 0.0000 172.7327 84 V 2.8628 8.0948 118.1846 64.2042 31.5765 178.0023 85 G 4.3720 7.9930 103.0621 46.9597 0.0000 172.3009 86 I 4.3818 8.4754 119.5784 58.4995 38.1870 173.8150 87 P 3.9297 0.0000 0.0000 64.2020 31.6684 176.1388 88 D 4.6013 7.7816 123.0321 53.4263 42.6085 177.0917 89 I 3.6885 8.0114 129.1035 63.9441 37.2746 177.9494 90 E 3.9259 8.0507 117.8339 58.4338 29.6916 177.9059 91 E 3.9156 7.7860 118.6204 57.9941 29.8648 177.7110 92 A 3.2848 6.8297 120.1896 54.6142 18.5113 179.2044 93 R 3.8111 7.2416 113.7728 56.3447 30.2759 176.7141 94 Q 4.1890 7.3031 120.3760 54.0690 29.1742 173.5941 95 P 4.3329 0.0000 0.0000 64.6677 31.3276 175.9084 96 L 3.7783 8.2962 119.6307 55.4372 39.6813 173.8949 97 F 4.5290 8.0800 121.1043 57.4352 40.1891 174.8670 98 T 4.4092 6.9330 120.3121 61.2115 70.0750 172.7873 99 T 4.5410 8.1846 113.4185 61.0997 69.5933 174.2370 100 K 5.5685 8.2518 120.5987 54.7356 33.2054 176.4073 101 P 4.2764 0.0000 0.0000 65.1254 31.7589 177.8960 102 E 4.0856 8.1409 118.4277 58.2869 29.7294 177.7505 103 L 4.5683 7.9271 117.5945 53.6643 41.8917 175.9981 104 E 3.7727 7.5442 116.3093 57.3374 27.4757 175.0657 105 R 4.3241 7.9343 116.8427 55.4363 31.0832 177.4330 106 S 4.1762 8.6938 117.3516 58.8075 63.7849 172.0160 107 G 3.4671 7.9056 112.9360 45.5063 0.0000 173.7100 *109 G 3.8106 7.3437 112.2598 45.3207 0.0000 172.5141 110 F 4.0557 8.0570 120.5081 60.0730 39.9464 177.2684 111 T 4.0410 8.2379 116.7298 66.9485 68.4761 177.1359 112 I 3.2681 7.3453 118.4116 61.9813 36.4132 177.7601 *114 E 4.3005 8.2551 121.5322 56.6470 31.0234 177.2690 115 N 4.5853 8.0708 114.3965 55.7046 38.8057 175.8214 116 F 4.9687 8.1973 115.9337 58.2671 38.7242 176.1805 *118 D 4.6808 7.9484 119.6102 53.7184 42.5671 174.9625 119 E 4.7742 7.7181 116.9042 55.5118 33.1402 174.6595 120 V 4.6834 8.4264 125.4559 62.0298 34.5290 173.5528 121 I 4.5057 9.0840 129.8470 59.6337 39.8436 174.9983 122 V 4.8216 8.5851 127.9577 61.4747 32.7920 174.3683 123 E 4.7646 8.6495 128.2088 55.0541 31.8496 175.3396 124 S 4.8260 8.2082 116.9822 58.5996 65.4060 175.2874 125 E 4.7272 8.2672 119.8929 53.5768 33.5731 175.9584 126 V 3.8148 8.2259 122.5021 63.5909 32.1249 176.8617 127 N 4.3850 9.8940 124.9536 54.4815 37.4639 176.0275 128 K 4.3003 9.0002 119.9050 56.7659 33.6269 180.5526 129 G 4.6369 6.9107 108.4931 44.6572 0.0000 171.0093 130 T 5.0695 9.0422 120.1937 63.7414 74.2259 172.7780 131 T 5.1014 8.5412 117.5751 62.7240 73.6126 173.5801 132 V 4.9105 9.1218 125.6510 61.3430 34.9566 173.2026 133 Y 5.1970 9.4293 129.7106 55.9446 40.9066 174.2536 134 L 4.9682 8.9093 126.5111 52.6562 45.5613 175.3944 135 K 4.9212 8.0822 122.0321 54.6185 35.6369 175.9705 136 K 4.1865 8.5948 126.7309 56.8415 32.6099 175.4406 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 3 N 8.27 4.79 0.00 2.76 2.81 0.00 0.00 6.57 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 4 E 8.39 5.44 0.00 2.09 1.96 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 2.23 2.40 0.00 *6 H 8.62 4.59 0.00 3.19 3.32 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 9.08 4.81 0.00 1.67 1.50 1.10 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.75 5.88 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.65 0.00 0.00 0.00 0.00 0.00 2.24 2.21 0.00 9 F 7.67 4.85 0.00 3.22 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 10 S 9.14 4.51 0.00 4.08 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 11 A 8.61 4.54 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 7.73 4.69 0.00 1.94 1.87 0.00 3.15 0.00 0.00 3.41 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 13 S 9.00 4.99 0.00 4.02 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.19 4.18 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 15 N 8.34 4.78 0.00 2.95 2.74 0.00 0.00 6.86 7.58 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 16 E 7.87 3.93 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 17 S 8.05 4.06 0.00 3.89 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 18 F 8.30 4.08 0.00 3.09 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 19 A 7.75 3.29 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 20 R 7.69 3.82 0.00 2.14 2.17 0.00 2.86 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.62 0.00 21 V 7.83 3.51 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 0.99 0.00 0.00 0.92 0.00 0.00 22 T 7.67 3.68 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 1.02 0.00 0.00 23 V 7.72 3.52 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 1.02 0.00 0.00 0.98 0.00 0.00 24 A 8.26 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.86 3.94 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.19 4.23 0.00 3.12 3.19 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 27 V 8.10 3.53 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 0.99 0.00 0.00 1.05 0.00 0.00 28 A 7.96 4.06 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.44 3.95 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.17 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 30 L 7.85 4.35 0.00 1.61 1.67 0.88 0.90 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 31 D 7.89 4.24 0.00 2.67 2.58 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 32 P 0.00 4.81 0.00 2.18 2.04 0.00 3.88 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 1.95 1.95 0.00 33 T 8.13 4.56 4.19 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 1.18 0.00 0.00 *35 D 8.94 4.46 0.00 2.65 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 36 E 8.11 3.85 0.00 2.17 1.96 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 2.34 2.36 0.00 37 L 8.17 3.98 0.00 1.74 1.68 0.89 1.00 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 38 T 7.72 3.83 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 1.15 0.00 0.00 39 E 8.25 3.77 0.00 1.95 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 0.00 1.47 2.24 0.00 40 I 7.65 3.77 2.03 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 1.38 0.82 0.92 0.00 0.00 41 K 8.27 4.07 0.00 1.75 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 42 T 8.03 4.10 4.73 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 1.34 0.00 0.00 43 V 8.50 3.54 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 1.10 0.00 0.00 44 V 8.18 3.56 2.23 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 0.93 0.00 0.00 0.96 0.00 0.00 45 S 8.26 4.15 0.00 3.99 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 46 E 8.69 3.82 0.00 2.09 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 2.46 2.32 0.00 47 A 8.18 3.85 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 48 V 8.27 3.62 2.23 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 1.31 0.00 0.00 1.10 0.00 0.00 49 T 7.99 3.93 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 50 N 7.95 4.27 0.00 2.83 2.89 0.00 0.00 6.87 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 51 A 7.82 3.94 1.32 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 0.00 0.00 0.00 52 I 7.79 3.87 1.93 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.89 1.08 0.00 0.00 53 I 7.94 3.77 1.78 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 1.63 0.12 0.99 0.00 0.00 54 H 8.45 4.53 0.00 3.31 3.33 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.95 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 56 Y 7.38 4.92 0.00 3.19 2.82 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 57 N 8.15 4.92 0.00 2.95 2.86 0.00 0.00 7.14 7.88 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 58 N 8.39 4.15 0.00 2.84 2.88 0.00 0.00 6.71 7.58 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 59 D 7.78 4.69 0.00 2.75 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 60 P 0.00 4.43 0.00 2.20 2.19 0.00 3.43 0.00 0.00 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 61 N 8.08 4.32 0.00 2.81 2.84 0.00 0.00 6.88 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 62 G 7.58 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 0.00 0.00 0.00 63 I 7.27 4.92 1.76 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 1.07 0.90 0.81 0.00 0.00 64 V 8.01 4.21 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.87 0.00 0.00 65 S 9.00 5.09 0.00 3.87 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.33 5.09 1.96 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.73 0.95 0.00 0.00 67 S 9.36 5.01 0.00 3.77 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.95 4.72 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 1.23 0.00 0.00 0.93 0.00 0.00 69 I 8.89 4.72 1.99 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.53 1.00 0.00 0.00 70 I 8.50 4.96 2.02 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.80 0.89 0.00 0.00 71 E 9.44 4.54 0.00 2.02 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 2.21 2.26 0.00 72 D 9.93 4.31 0.00 2.83 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.21 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 74 V 8.00 4.29 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 0.93 0.00 0.00 1.00 0.00 0.00 75 V 8.83 4.29 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 0.90 0.00 0.00 0.92 0.00 0.00 76 H 9.21 4.73 0.00 3.40 3.56 0.00 5.65 0.00 0.00 0.00 0.00 6.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.56 5.10 0.00 1.77 1.45 1.02 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.97 5.23 4.35 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 1.37 0.00 0.00 79 V 8.93 4.92 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 1.10 0.00 0.00 0.96 0.00 0.00 80 R 9.39 5.35 0.00 1.72 1.91 0.00 3.21 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 81 D 8.64 4.91 0.00 2.34 2.59 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 82 E 8.67 4.76 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 83 G 7.68 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 0.00 0.00 0.00 84 V 8.09 2.86 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 0.93 0.00 0.00 1.00 0.00 0.00 85 G 7.99 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 I 8.48 4.38 1.86 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 1.34 0.75 0.91 0.00 0.00 87 P 0.00 3.93 0.00 2.04 1.96 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 88 D 7.78 4.60 0.00 2.63 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 89 I 8.01 3.69 1.77 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.39 0.75 0.00 0.00 90 E 8.05 3.93 0.00 1.97 1.90 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 2.23 2.24 0.00 91 E 7.79 3.92 0.00 2.05 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 2.12 0.00 92 A 6.83 3.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.24 3.81 0.00 1.58 1.81 0.00 3.02 0.00 0.00 3.05 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.48 0.00 94 Q 7.30 4.19 0.00 2.20 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.30 0.00 95 P 0.00 4.33 0.00 2.20 2.12 0.00 3.87 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 96 L 8.30 3.78 0.00 1.82 1.86 0.94 1.05 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 97 F 8.08 4.53 0.00 3.05 3.09 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 98 T 6.93 4.41 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 99 T 8.18 4.54 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 0.00 100 K 8.25 5.57 0.00 1.78 1.75 0.00 1.71 0.00 0.00 1.96 0.00 0.00 3.00 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.41 1.51 7.81 101 P 0.00 4.28 0.00 2.18 2.25 0.00 3.59 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 2.03 1.93 0.00 102 E 8.14 4.09 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 103 L 7.93 4.57 0.00 1.70 1.64 0.91 1.22 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 0.00 104 E 7.54 3.77 0.00 2.04 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 2.24 2.25 0.00 105 R 7.93 4.32 0.00 1.79 1.87 0.00 3.51 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.54 0.00 106 S 8.69 4.18 0.00 3.97 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 7.91 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 *109 G 7.34 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 F 8.06 4.06 0.00 3.06 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 0.00 111 T 8.24 4.04 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 0.00 112 I 7.35 3.27 1.76 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 1.00 0.40 0.04 0.00 0.00 *114 E 8.26 4.30 0.00 2.26 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 0.00 2.51 2.33 0.00 115 N 8.07 4.59 0.00 2.74 3.01 0.00 0.00 7.09 6.76 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 0.00 116 F 8.20 4.97 0.00 2.92 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 *118 D 7.95 4.68 0.00 2.70 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 0.00 119 E 7.72 4.77 0.00 2.08 1.73 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 2.36 2.37 0.00 120 V 8.43 4.68 2.31 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 0.94 0.00 0.00 1.00 0.00 0.00 121 I 9.08 4.51 2.14 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.71 1.01 0.00 0.00 122 V 8.59 4.82 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 0.96 0.00 0.00 1.25 0.00 0.00 123 E 8.65 4.76 0.00 2.04 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 2.24 2.27 0.00 124 S 8.21 4.83 0.00 3.83 3.66 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 0.00 125 E 8.27 4.73 0.00 1.87 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 2.20 1.83 0.00 126 V 8.23 3.81 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 1.00 0.00 0.00 0.93 0.00 0.00 127 N 9.89 4.38 0.00 2.94 2.96 0.00 0.00 6.81 7.49 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 0.00 128 K 9.00 4.30 0.00 1.63 1.79 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.24 7.81 129 G 6.91 4.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 T 9.04 5.07 4.49 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 1.33 0.00 0.00 131 T 8.54 5.10 4.28 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 1.28 0.00 0.00 132 V 9.12 4.91 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 1.10 0.00 0.00 1.02 0.00 0.00 133 Y 9.43 5.20 0.00 3.09 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 0.00 134 L 8.91 4.97 0.00 1.46 1.38 0.88 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 135 K 8.08 4.92 0.00 1.44 1.53 0.00 2.02 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.38 7.81 136 K 8.59 4.19 0.00 1.83 1.51 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.