NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 E 4.3036 8.4029 120.2238 56.4893 31.6141 178.1812 7 E 4.0913 8.0971 112.9226 57.3334 30.2127 178.8839 8 R 3.9506 8.7814 117.3158 59.4718 31.3765 176.8149 9 S 4.2407 7.3491 113.1553 59.6958 63.0769 174.7478 10 G 3.8947 8.7552 111.8219 45.8264 0.0000 173.7488 11 V 3.6252 7.3920 113.5847 60.5778 32.0842 176.0536 12 V 3.9724 8.0625 124.7295 60.6487 31.3921 173.2564 13 P 4.7242 0.0000 0.0000 62.1753 33.2245 174.8865 14 C 4.3887 8.3217 122.2044 57.3002 33.1332 173.5333 15 G 4.1207 8.5550 114.0561 46.5493 0.0000 172.0513 16 T 4.6045 8.4373 111.1715 58.7736 72.0588 173.1930 17 P 4.2776 0.0000 0.0000 64.5835 31.3985 177.5335 18 W 4.8852 6.8877 110.4812 55.3904 30.0349 177.2111 19 G 4.8514 5.9957 110.3622 46.1810 0.0000 174.1509 20 Q 5.1901 8.8918 124.2468 54.6306 32.3419 172.0835 21 W 5.8545 8.9332 116.3164 55.4986 32.3117 173.2906 22 Y 5.0030 8.6967 118.1596 56.7198 41.3098 172.7656 23 Q 5.4887 8.7639 116.7250 55.5864 32.0328 173.3081 24 T 4.8994 8.9511 109.9125 59.5842 71.9507 173.6690 25 L 4.1647 8.7447 120.1592 57.5545 41.6143 178.2765 26 E 4.4884 8.1775 115.6469 56.6001 31.0679 175.2693 27 E 4.6896 8.3289 116.8917 54.2221 33.4658 174.1516 28 V 4.8987 7.8117 119.0711 61.1991 34.3422 174.4544 29 F 4.7323 9.2734 126.0939 55.5768 41.9117 174.3158 30 I 5.0415 8.4639 123.2333 59.6935 40.1659 174.5449 31 E 4.7365 9.6362 127.7379 54.6564 31.8171 175.3376 32 V 5.0228 8.3955 125.1931 60.8829 33.2814 175.2473 33 Q 4.3080 9.2637 128.4615 56.4031 29.0763 176.6789 34 V 4.5766 8.1892 115.2039 58.4394 35.9366 173.7204 35 P 4.4340 0.0000 0.0000 62.3298 31.6532 176.2620 36 P 4.3444 0.0000 0.0000 65.0451 31.4466 177.5589 37 G 4.0022 7.9370 105.6076 45.5095 0.0000 173.9019 38 T 4.1675 7.7735 117.0962 63.4144 69.1099 174.0952 39 R 4.7375 9.0389 123.6785 53.8328 33.8977 176.5070 40 A 4.1824 8.8712 123.2588 55.6988 18.3498 180.1418 41 Q 4.1824 8.0820 111.8177 58.7080 29.0238 176.6572 42 D 4.5791 8.7789 118.3013 54.7670 41.2934 175.2711 43 I 4.5543 7.3414 120.8810 59.7739 38.5580 175.1238 44 Q 4.5078 8.7400 126.3223 54.1357 31.2898 174.3432 45 C 4.8468 8.4819 124.1566 57.5586 34.5795 172.9431 46 G 4.1903 8.9783 113.7995 44.3444 0.0000 171.8527 47 L 4.8420 8.6448 124.2956 53.2656 43.7768 175.8809 48 Q 4.6589 8.9276 123.1181 53.3310 31.9577 176.8087 49 S 4.2744 8.6159 112.3486 60.5591 62.4287 175.0372 50 R 4.7539 7.9226 116.5003 55.9699 31.8386 174.2375 51 H 5.3747 8.2174 113.1777 54.7730 33.6564 172.7711 52 V 5.0482 8.8493 113.5208 59.8971 36.3665 174.5885 53 A 4.9436 8.5133 123.6736 50.7088 22.9837 175.1261 54 L 4.9424 9.2840 124.1906 53.1647 45.6671 174.9643 55 A 5.0196 8.9275 127.4272 49.9968 22.6989 174.6074 56 V 4.3830 8.5120 121.4318 61.3528 34.3516 176.0105 57 G 4.0535 9.9528 118.1359 46.6049 0.0000 174.3935 58 G 3.8527 8.3173 106.4184 44.9766 0.0000 173.9833 59 R 4.2489 7.8109 121.5821 54.4811 30.7339 174.9875 60 E 4.3262 8.7139 126.9587 56.5260 30.1940 175.6827 61 I 4.2369 8.3664 127.2180 62.6328 39.1466 176.3054 62 L 4.4254 7.2040 122.5833 53.6111 45.4930 174.5398 63 K 4.7084 7.6508 125.0463 54.9374 35.3454 174.8660 64 G 3.9572 8.0580 113.3066 46.5058 0.0000 170.2781 65 K 4.6219 8.3255 121.3966 54.8814 32.8699 177.3268 66 L 4.1273 8.6187 128.2245 54.3854 42.2545 177.0425 67 F 4.1402 8.6995 123.8576 61.2006 39.3799 174.0175 68 D 4.4810 7.5471 116.9385 52.7068 44.2134 173.6555 69 S 4.8799 8.2536 115.3642 57.9857 64.0412 173.3537 70 T 4.7075 8.7216 110.9508 59.9531 73.0921 173.0271 71 I 4.2670 8.1731 122.4823 60.2192 37.5380 176.6676 72 A 3.9557 8.8373 131.2850 55.3815 18.3696 179.2717 73 D 4.4259 8.1338 113.5019 57.0468 40.9029 177.2799 74 E 4.3735 7.8983 116.3167 56.0854 30.0979 176.7200 75 G 3.7557 7.8503 109.6505 45.5360 0.0000 173.3093 76 T 4.7493 8.2201 112.5601 59.1681 71.9465 173.1189 77 W 5.2755 8.1682 118.7032 55.0748 31.2298 174.5905 78 T 4.5775 8.4912 108.9299 60.1797 71.1813 172.5851 79 L 4.6948 8.6175 125.2170 53.7255 43.3424 175.4868 80 E 4.7459 8.6124 124.7984 54.4702 32.3856 175.1780 81 D 4.7118 8.6688 123.0189 54.0935 41.2338 176.6410 82 R 4.6545 8.2826 124.9947 55.2379 31.3646 175.6203 83 K 3.8123 8.1809 118.2508 56.5354 32.6858 175.6495 *85 V 3.7330 7.9650 120.0652 62.5756 31.9790 174.2182 86 R 4.4868 8.5588 127.2949 54.5387 31.3213 174.7746 87 I 4.4285 8.2010 125.9573 59.3673 39.2260 175.0849 88 V 4.3067 8.2477 123.7514 60.9030 33.7198 174.4304 89 L 4.7193 8.3245 126.4123 53.1592 44.1502 175.8206 90 T 4.4015 8.1579 118.6709 61.4904 69.5192 175.0889 91 K 4.2346 8.4201 126.5440 56.7500 32.8582 177.4109 92 T 4.0254 8.8576 120.1632 66.0193 68.6646 174.8936 93 K 4.6644 8.0050 119.5568 54.8473 33.7267 176.3750 94 R 4.6880 8.3785 123.7864 55.9979 31.4880 175.4751 95 D 4.6896 8.8813 117.5358 53.1574 41.9201 177.8542 96 A 4.1340 8.5001 123.2664 55.1202 18.4382 178.4661 97 A 4.4600 7.9907 116.6539 52.6531 18.6541 177.3230 98 N 5.0131 8.1447 115.1391 53.3499 39.0631 175.3432 99 C 4.3873 8.0405 119.0039 58.3112 31.9234 172.7090 100 W 4.4171 8.9158 128.4793 57.0527 29.2818 176.5844 101 T 4.3504 8.6127 112.7500 62.7179 69.2217 174.2908 102 S 5.0786 7.5420 114.8624 56.9289 65.9334 174.1345 103 L 4.3553 8.8322 123.9236 57.9595 41.9575 177.2010 104 L 4.7622 7.4955 115.7016 52.3789 44.1141 176.1346 105 E 4.0272 8.8458 120.7598 59.3136 29.2445 178.4643 106 S 4.7357 7.5398 111.9861 57.4385 64.5972 173.0981 107 E 4.3151 8.1917 117.8572 56.4162 32.5379 173.6718 108 Y 3.9426 7.8120 118.3401 59.1455 35.1037 169.7943 109 A 4.8034 7.7800 119.8173 51.6331 19.9495 178.5532 110 A 4.4412 8.7038 123.8953 51.2774 19.5669 177.4796 111 D 4.5337 8.6846 120.9893 52.5013 40.8907 175.4951 112 P 4.0589 0.0000 0.0000 65.6021 31.0798 179.0850 113 W 4.0972 8.0399 117.2117 59.7350 28.9219 178.6524 114 V 4.2309 8.1657 118.5757 65.6045 31.0035 177.7278 115 Q 4.1379 8.1593 117.4375 58.9322 28.7183 178.0226 116 D 4.4874 7.9773 119.0100 57.2451 41.3132 178.5522 117 Q 4.1635 8.0753 114.4920 57.0931 28.3826 177.9050 *119 Q 4.2329 7.9631 123.1585 56.2635 30.9580 177.3981 120 R 3.8953 8.2252 117.0896 59.1924 29.8974 179.0065 121 K 3.9143 8.1214 119.3663 59.4394 32.1787 178.9498 122 L 3.9684 7.8170 118.8466 58.0020 41.5061 179.4291 123 T 3.8668 8.1409 115.9246 66.5482 68.3961 176.4699 124 L 3.9172 8.0988 122.3770 57.9871 42.0012 178.5451 125 E 3.8332 8.3865 119.6976 59.2704 29.4845 178.8796 126 R 3.8280 8.1514 118.7501 59.2258 30.1728 178.0720 127 F 4.0072 8.4577 120.7711 61.5099 39.1581 177.1310 128 Q 3.4789 7.7764 116.0739 58.6864 28.5196 178.3621 129 K 4.0063 7.9424 119.6671 59.3973 32.3394 178.0608 130 E 4.2340 8.2230 116.7044 56.9992 31.2520 176.2841 131 N 5.1245 7.6701 115.8676 51.1525 39.0403 173.7458 132 P 4.3975 0.0000 0.0000 65.4552 32.1579 178.8594 133 G 3.6635 8.1586 107.3042 48.0377 0.0000 174.0116 134 F 4.1461 8.1808 117.7101 56.9160 39.6265 174.2183 135 D 4.9640 8.3857 123.0980 52.9540 42.2677 176.7850 136 F 4.8206 8.6280 129.9388 57.4560 39.7534 176.5302 137 S 4.4015 8.4764 122.3758 59.0128 63.8003 178.0703 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 6 E 8.40 4.30 0.00 2.06 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 2.31 2.33 0.00 7 E 8.10 4.09 0.00 2.07 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 2.23 1.96 0.00 8 R 8.78 3.95 0.00 1.79 1.87 0.00 3.10 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 9 S 7.35 4.24 0.00 3.91 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 10 G 8.76 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 11 V 7.39 3.63 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 0.55 0.00 0.00 0.42 0.00 0.00 12 V 8.06 3.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.90 0.00 0.00 13 P 0.00 4.72 0.00 2.02 1.92 0.00 3.64 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.82 0.00 14 C 8.32 4.39 0.00 2.20 1.46 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 15 G 8.56 4.12 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 0.00 0.00 0.00 16 T 8.44 4.60 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 1.03 0.00 0.00 17 P 0.00 4.28 0.00 2.02 2.12 0.00 3.13 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 1.97 1.99 0.00 18 W 6.89 4.89 0.00 3.57 3.37 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 19 G 6.00 4.85 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 0.00 20 Q 8.89 5.19 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.62 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 21 W 8.93 5.85 0.00 3.64 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 22 Y 8.70 5.00 0.00 2.95 3.02 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 23 Q 8.76 5.49 0.00 2.35 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 24 T 8.95 4.90 4.38 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 1.47 0.00 0.00 25 L 8.74 4.16 0.00 1.70 1.82 0.93 0.85 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 26 E 8.18 4.49 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 2.25 2.34 0.00 27 E 8.33 4.69 0.00 1.78 1.18 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 2.08 2.18 0.00 28 V 7.81 4.90 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 0.83 0.00 0.00 0.97 0.00 0.00 29 F 9.27 4.73 0.00 1.65 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 0.00 0.00 0.00 0.00 30 I 8.46 5.04 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.62 0.98 0.00 0.00 31 E 9.64 4.74 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 2.41 2.42 0.00 32 V 8.40 5.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.60 0.00 0.00 33 Q 9.26 4.31 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.48 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 34 V 8.19 4.58 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 0.73 0.00 0.00 0.95 0.00 0.00 35 P 0.00 4.43 0.00 2.18 1.99 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 36 P 0.00 4.34 0.00 2.05 2.13 0.00 3.68 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 2.04 2.09 0.00 37 G 7.94 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 0.00 0.00 0.00 38 T 7.77 4.17 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 1.20 0.00 0.00 39 R 9.04 4.74 0.00 1.91 1.81 0.00 3.17 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 40 A 8.87 4.18 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.08 4.18 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.95 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 42 D 8.78 4.58 0.00 2.80 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 43 I 7.34 4.55 1.43 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.45 -0.51 0.00 0.00 44 Q 8.74 4.51 0.00 1.81 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 45 C 8.48 4.85 0.00 2.16 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.98 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 0.00 0.00 0.00 0.00 47 L 8.64 4.84 0.00 1.53 1.60 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.93 4.66 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 49 S 8.62 4.27 0.00 3.84 3.87 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 50 R 7.92 4.75 0.00 1.88 1.75 0.00 3.26 0.00 0.00 3.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 51 H 8.22 5.37 0.00 3.14 3.09 0.00 5.81 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.85 5.05 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 0.65 0.00 0.00 0.85 0.00 0.00 53 A 8.51 4.94 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 54 L 9.28 4.94 0.00 1.41 1.18 0.54 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.93 5.02 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 56 V 8.51 4.38 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.81 0.00 0.00 57 G 9.95 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 58 G 8.32 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 0.00 0.00 0.00 59 R 7.81 4.25 0.00 1.82 1.93 0.00 3.10 0.00 0.00 3.09 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 60 E 8.71 4.33 0.00 1.92 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 61 I 8.37 4.24 1.59 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 0.98 0.88 0.61 0.00 0.00 62 L 7.20 4.43 0.00 0.93 0.95 0.82 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.65 4.71 0.00 1.69 1.58 0.00 2.22 0.00 0.00 1.68 0.00 0.00 2.68 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 1.37 7.81 64 G 8.06 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.33 4.62 0.00 1.73 1.67 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.23 1.24 7.81 66 L 8.62 4.13 0.00 1.67 1.63 0.91 0.74 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 67 F 8.70 4.14 0.00 2.83 3.01 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 68 D 7.55 4.48 0.00 2.59 2.54 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 0.00 0.00 0.00 0.00 69 S 8.25 4.88 0.00 3.88 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 70 T 8.72 4.71 4.21 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 1.18 0.00 0.00 71 I 8.17 4.27 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.95 0.90 0.00 0.00 72 A 8.84 3.96 1.33 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 73 D 8.13 4.43 0.00 2.65 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 74 E 7.90 4.37 0.00 1.96 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 2.27 2.23 0.00 75 G 7.85 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 76 T 8.22 4.75 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 1.23 0.00 0.00 77 W 8.17 5.28 0.00 3.37 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 78 T 8.49 4.58 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 1.15 0.00 0.00 79 L 8.62 4.69 0.00 1.90 1.78 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.61 4.75 0.00 2.01 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 2.28 2.31 0.00 81 D 8.67 4.71 0.00 2.69 2.64 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 82 R 8.28 4.65 0.00 1.76 1.90 0.00 3.31 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 83 K 8.18 3.81 0.00 1.72 1.75 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.45 7.81 *85 V 7.97 3.73 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 0.81 0.00 0.00 0.93 0.00 0.00 86 R 8.56 4.49 0.00 1.77 1.78 0.00 3.23 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 87 I 8.20 4.43 1.84 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 1.29 0.73 0.90 0.00 0.00 88 V 8.25 4.31 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 0.78 0.00 0.00 0.89 0.00 0.00 89 L 8.32 4.72 0.00 1.51 1.52 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 90 T 8.16 4.40 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 91 K 8.42 4.23 0.00 1.74 2.00 0.00 1.66 0.00 0.00 1.85 0.00 0.00 2.13 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.27 1.21 7.81 92 T 8.86 4.03 4.31 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 1.24 0.00 0.00 93 K 8.01 4.66 0.00 1.80 1.88 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.47 7.81 94 R 8.38 4.69 0.00 1.75 1.87 0.00 3.19 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.69 0.00 95 D 8.88 4.69 0.00 2.78 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 96 A 8.50 4.13 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 97 A 7.99 4.46 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 98 N 8.14 5.01 0.00 2.85 3.01 0.00 0.00 6.85 7.52 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 99 C 8.04 4.39 0.00 3.15 2.95 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 0.00 100 W 8.92 4.42 0.00 3.24 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 0.00 101 T 8.61 4.35 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 1.27 0.00 0.00 102 S 7.54 5.08 0.00 4.25 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 0.00 103 L 8.83 4.36 0.00 1.77 1.99 1.07 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.50 4.76 0.00 1.76 1.60 1.10 0.85 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 0.00 105 E 8.85 4.03 0.00 1.85 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 106 S 7.54 4.74 0.00 3.78 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 0.00 107 E 8.19 4.32 0.00 1.72 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 1.47 1.87 0.00 108 Y 7.81 3.94 0.00 3.30 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.78 4.80 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 0.00 110 A 8.70 4.44 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.68 4.53 0.00 2.87 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 0.00 112 P 0.00 4.06 0.00 1.71 1.86 0.00 3.59 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 113 W 8.04 4.10 0.00 3.60 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 0.00 114 V 8.17 4.23 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 1.23 0.00 0.00 1.06 0.00 0.00 115 Q 8.16 4.14 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.62 0.00 116 D 7.98 4.49 0.00 2.69 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 0.00 117 Q 8.08 4.16 0.00 2.34 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.17 0.00 0.00 0.00 0.00 0.00 2.43 2.63 0.00 *119 Q 7.96 4.23 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.89 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 120 R 8.23 3.90 0.00 2.09 1.96 0.00 3.21 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 121 K 8.12 3.91 0.00 1.85 1.77 0.00 1.48 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.47 7.81 122 L 7.82 3.97 0.00 1.89 1.69 0.87 0.75 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 0.00 123 T 8.14 3.87 4.36 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 1.18 0.00 0.00 124 L 8.10 3.92 0.00 1.71 1.81 0.89 0.74 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 0.00 125 E 8.39 3.83 0.00 2.13 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 2.25 2.26 0.00 126 R 8.15 3.83 0.00 2.10 2.10 0.00 3.27 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.50 0.00 127 F 8.46 4.01 0.00 3.25 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 0.00 128 Q 7.78 3.48 0.00 1.96 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.73 0.00 0.00 0.00 0.00 0.00 1.16 1.81 0.00 129 K 7.94 4.01 0.00 1.80 1.95 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.45 7.81 130 E 8.22 4.23 0.00 1.81 1.89 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 2.29 2.45 0.00 131 N 7.67 5.12 0.00 2.53 2.71 0.00 0.00 6.60 8.83 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 0.00 132 P 0.00 4.40 0.00 2.20 2.20 0.00 3.79 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 133 G 8.16 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 0.00 0.00 0.00 134 F 8.18 4.15 0.00 3.17 2.54 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 0.00 0.00 0.00 0.00 135 D 8.39 4.96 0.00 2.61 2.52 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 0.00 0.00 0.00 136 F 8.63 4.82 0.00 3.06 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 0.00 137 S 8.48 4.40 0.00 3.56 3.54 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.