NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.3068 8.1227 123.5596 52.1487 19.9135 177.0328 10 R 3.5499 8.6163 112.4473 57.8941 30.2523 178.8153 11 F 4.4017 9.2836 113.5647 59.1113 38.8567 176.2322 12 R 3.8740 6.4821 118.9316 57.3574 30.1613 177.7955 13 K 4.0322 7.6440 117.0490 58.1132 32.2267 177.2664 14 V 4.1349 6.9855 119.1660 60.3002 32.2055 176.8746 15 D 4.5897 8.4534 125.0036 52.9370 39.7496 175.9082 16 V 3.9000 8.2836 125.0730 65.8829 31.5516 176.7321 17 D 4.4179 8.3666 118.0339 56.9596 40.3330 177.8198 18 E 3.7007 7.9496 119.8670 59.1560 29.4621 177.3434 19 Y 4.5365 7.0705 112.3226 57.5163 38.1974 175.3521 20 D 4.4715 8.0944 120.7677 54.5818 41.7066 176.1578 21 E 4.5869 7.6668 126.9331 53.2284 29.0887 173.2798 22 N 4.3955 8.1543 124.3574 52.9093 43.5429 175.4800 23 K 3.8570 8.5068 118.2747 56.6019 32.5820 175.8634 24 F 4.3175 8.5820 126.6393 58.1908 40.0777 174.9173 25 V 4.0498 6.1047 124.3451 60.9677 33.7624 174.5107 26 D 4.4591 8.4572 127.3415 53.9956 41.8960 175.0228 27 E 3.6480 8.7903 122.2980 58.6545 29.1012 177.3448 *35 A 4.2272 8.6643 122.0040 51.8208 21.3135 176.4038 36 G 3.8732 7.1022 98.7410 42.9775 0.0000 171.4429 37 P 4.4922 0.0000 0.0000 61.8947 32.0957 177.1860 38 D 4.5678 8.3299 118.7753 53.0905 40.6311 176.1623 39 E 3.9666 8.7235 126.3308 59.6451 29.5763 179.4653 40 G 3.6030 8.0399 104.5779 47.7425 0.0000 174.6891 41 E 3.9099 9.6500 123.0429 59.2529 29.5470 178.9845 42 V 3.5379 8.1480 118.2815 66.1613 31.5600 177.3148 43 D 4.3633 8.3731 118.6667 57.6702 40.7324 179.2449 44 S 4.1215 8.2670 113.2979 61.7399 62.4618 176.0633 45 C 4.2117 7.9224 118.8382 62.6464 27.7098 176.1382 46 L 3.8792 8.0222 120.6562 57.8298 41.0758 179.2955 47 R 3.8697 8.4132 118.1550 59.5604 30.0923 177.5148 48 Q 4.2723 8.3006 116.0516 55.8909 29.0993 176.4615 49 G 3.8677 8.0209 106.4101 47.0186 0.0000 175.4775 50 N 4.6689 8.2804 119.9955 51.8053 35.2878 174.7367 51 M 3.8391 7.8696 123.9227 59.2234 32.6221 178.1619 52 T 4.1182 8.1004 114.6509 67.0347 68.6844 176.3565 53 A 4.1736 8.0046 122.4515 54.8029 18.3379 179.5806 54 A 3.9461 8.1993 119.7197 55.0126 18.3942 179.4602 55 L 3.8740 8.0860 118.3810 58.6115 42.0448 178.9773 56 Q 3.9946 7.7345 115.8457 59.0579 29.0755 178.6774 57 A 4.2006 8.2768 121.4962 55.1623 18.2151 179.6139 58 A 3.9474 8.2130 118.6952 54.7808 18.4659 178.8762 59 L 4.2988 7.7233 115.1215 54.0181 42.1795 176.7034 60 K 4.1898 7.3760 121.0654 57.0652 33.4852 176.5280 61 N 4.1431 8.7421 119.4560 53.8029 35.7207 171.6543 62 P 4.7600 0.0000 0.0000 61.8266 32.9008 176.8067 63 P 4.7538 0.0000 0.0000 63.3515 30.5786 178.4480 64 I 3.6289 7.5912 122.2797 63.9903 37.0828 176.4856 65 N 4.9490 8.1380 114.9454 52.7894 39.2936 173.8271 66 T 4.5758 7.8763 109.0823 60.0298 70.4766 174.7998 67 K 4.1550 8.5254 122.2586 56.9531 32.6122 177.2308 68 S 4.4989 7.5349 115.3211 57.1471 62.9219 174.4929 69 Q 4.0774 8.7073 129.2870 58.6127 28.4313 178.5706 70 A 3.9802 7.9526 122.0509 55.1979 18.5107 179.8116 71 V 3.5934 7.8719 117.3710 64.8210 31.3405 178.5857 72 K 3.9717 8.1361 119.0922 59.4834 31.9398 179.0003 73 D 4.4115 8.4811 119.5299 57.1514 40.6681 178.8591 74 R 3.8003 8.1525 119.0814 59.3675 30.1442 178.1964 75 A 4.0624 8.2889 120.9284 55.2625 18.3680 179.7902 76 G 3.6566 8.4738 104.3586 48.1913 0.0000 176.0599 77 S 4.1171 8.5751 118.2587 61.1310 62.9031 176.7582 78 I 3.5636 8.0578 122.8360 64.3956 36.8866 178.5267 79 V 3.2492 7.4761 118.7690 65.7982 31.2377 177.6090 80 L 3.6746 8.1180 120.2679 57.9304 41.8663 178.5015 81 K 3.7173 8.3935 119.7590 59.6982 32.1351 178.4228 82 V 3.5965 7.4134 117.5166 66.3447 31.2157 177.9737 83 L 3.4558 7.2734 116.7511 57.5716 41.2590 179.4110 84 I 4.0307 7.4300 119.2189 64.2304 37.1989 177.9593 85 S 4.2764 7.9960 115.1017 60.7973 63.1624 175.3663 86 F 3.9372 7.6458 117.8226 57.9953 39.5226 174.9560 87 K 4.4210 8.7796 122.8648 55.9434 33.1948 178.0227 88 A 3.9816 8.2945 127.5134 55.4516 19.0196 178.7439 89 N 4.5979 8.1254 110.0621 54.8761 38.8118 175.4652 90 D 4.8279 8.8682 119.3080 55.1016 42.7978 178.5790 91 I 2.6900 7.5083 120.8262 64.3262 36.7787 177.2665 92 E 3.7102 7.9692 119.1208 59.1067 29.1747 178.2063 93 K 3.7689 8.0432 118.4849 59.7426 32.4292 178.0955 94 A 4.2848 7.8158 121.3895 54.7276 18.3840 179.5615 95 V 3.5801 7.6850 116.7345 66.4782 31.3860 178.1352 96 Q 4.1179 8.1454 116.0580 58.0946 28.5531 178.2025 97 S 4.3582 7.9566 114.5871 59.2974 63.7713 174.6192 98 L 4.2658 7.2478 122.6672 54.1978 42.3055 176.9574 99 D 4.7549 8.2819 121.8896 52.2517 42.2934 177.6053 100 K 3.9447 8.4185 117.8732 59.8840 32.0144 179.0727 101 N 4.3951 8.3778 116.3085 56.3049 38.3859 177.5654 102 G 3.5728 9.3084 107.6318 47.8405 0.0000 175.8309 103 V 3.6607 7.9283 121.4295 65.6665 31.5571 177.5077 104 D 4.3842 8.2977 118.6659 57.5264 40.7607 178.6618 105 L 3.9016 7.9546 120.3973 58.1440 42.0726 178.6005 106 L 4.0523 8.4389 120.6417 58.5681 41.9947 178.6389 107 M 4.0969 8.4222 118.3790 58.6674 32.1846 178.3727 108 K 4.0751 8.0622 118.4920 59.7381 32.2105 179.0150 109 Y 4.1392 8.0060 117.0187 60.9228 37.8182 178.4876 110 I 3.4762 7.9056 121.0852 64.4106 36.9212 178.0829 111 Y 4.0127 7.8808 116.7499 60.7955 38.0030 178.0109 112 K 4.2603 8.3706 120.8981 59.2926 32.2779 179.0069 113 G 3.5799 8.0985 106.0788 47.9883 0.0000 175.4297 114 F 4.8010 7.5478 118.7695 60.3005 39.0033 176.8020 115 E 4.4746 8.0845 115.6516 56.6347 30.8479 177.2827 116 S 4.6994 8.2342 115.0245 56.1644 63.9439 171.9487 117 P 4.4163 0.0000 0.0000 62.6597 32.3658 176.3691 118 S 4.4976 8.7246 115.8374 57.2232 65.8169 177.6514 119 D 3.8883 8.1765 116.4711 55.0921 42.5873 175.2226 120 N 4.8851 7.9023 114.8151 53.4947 42.1220 176.5374 121 S 4.2552 8.6988 118.4378 62.2830 62.5163 176.8818 122 S 4.2646 8.1875 117.6238 61.2667 62.3243 176.1762 123 A 4.0828 8.4884 124.3595 55.1828 18.1258 180.0679 124 V 3.6374 7.8025 117.1628 64.8846 31.8245 178.4820 125 L 4.0689 8.2579 119.6307 57.5246 41.4750 179.4619 126 L 4.3060 8.2523 119.0953 57.7138 41.6408 179.4641 127 Q 4.0584 7.7450 118.0187 58.6315 28.6496 178.5659 128 W 3.8511 8.3751 120.1564 59.8253 28.9573 178.0835 129 H 4.2534 8.5258 118.4370 58.9617 29.2766 176.9859 130 E 3.9620 8.0682 120.8725 59.1820 29.5071 179.0628 131 K 3.8881 7.8777 117.7505 59.3974 32.1230 179.2044 132 A 4.0034 8.4117 121.4772 55.0605 18.2861 179.3535 133 L 3.8404 8.1574 118.7598 58.3680 41.9623 179.0364 134 A 4.0697 7.9295 119.1347 54.8683 18.3145 178.7651 135 A 4.3846 7.8643 118.0293 53.6654 19.4990 178.9286 136 G 3.8975 8.7455 102.4515 43.3721 0.0000 174.8553 137 G 4.0290 8.3651 110.6919 44.7827 0.0000 174.9240 138 V 3.8402 8.1700 117.7673 64.4779 31.1273 178.5281 139 G 3.6911 8.1257 106.3231 47.4138 0.0000 175.5936 140 S 4.3595 7.8709 115.8742 61.2439 63.3729 176.3908 141 I 3.9111 7.5970 123.2668 63.9748 36.9645 177.9865 142 V 3.5458 7.6679 119.1868 66.3341 31.2181 178.3531 143 R 3.9892 8.0151 116.7973 58.3868 29.5408 179.2742 144 V 3.6122 7.4598 118.1925 65.9434 31.6387 177.7065 145 L 4.0492 7.6182 117.0140 57.8357 41.6246 178.9961 146 T 4.0620 7.9375 114.4989 64.4379 68.7729 175.2825 147 A 4.0354 7.0090 122.8393 52.6692 18.7844 177.4750 148 R 4.2750 8.5752 121.1356 56.6876 31.2088 176.8069 149 K 4.4931 7.8955 116.9432 54.6972 33.7501 175.0109 150 T 4.6120 8.0195 116.9554 59.9830 70.9394 173.7358 151 V 3.7099 8.0597 115.2975 61.6074 31.4511 176.4881 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 9 A 8.12 4.31 1.49 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 0.00 0.00 0.00 10 R 8.62 3.55 0.00 1.95 2.03 0.00 3.42 0.00 0.00 3.43 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 11 F 9.28 4.40 0.00 3.30 3.24 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 12 R 6.48 3.87 0.00 1.32 1.80 0.00 2.72 0.00 0.00 3.00 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.50 0.00 13 K 7.64 4.03 0.00 1.82 1.87 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.32 7.81 14 V 6.99 4.13 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 0.77 0.00 0.00 1.08 0.00 0.00 15 D 8.45 4.59 0.00 2.80 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 16 V 8.28 3.90 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 1.11 0.00 0.00 1.08 0.00 0.00 17 D 8.37 4.42 0.00 2.99 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 18 E 7.95 3.70 0.00 1.94 1.12 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 2.11 2.18 0.00 19 Y 7.07 4.54 0.00 3.06 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 20 D 8.09 4.47 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 21 E 7.67 4.59 0.00 1.92 1.84 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 2.21 2.39 0.00 22 N 8.15 4.40 0.00 2.93 2.80 0.00 0.00 7.12 7.61 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 23 K 8.51 3.86 0.00 1.72 1.75 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.49 7.81 24 F 8.58 4.32 0.00 3.02 2.97 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 25 V 6.10 4.05 1.80 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 0.70 0.00 0.00 0.82 0.00 0.00 26 D 8.46 4.46 0.00 2.72 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 27 E 8.79 3.65 0.00 1.90 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 2.29 2.37 0.00 *35 A 8.66 4.23 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 36 G 7.10 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 0.00 0.00 0.00 37 P 0.00 4.49 0.00 2.00 2.21 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 1.89 2.18 0.00 38 D 8.33 4.57 0.00 2.70 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 39 E 8.72 3.97 0.00 2.00 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 2.39 2.35 0.00 40 G 8.04 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 9.65 3.91 0.00 2.09 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 0.00 2.31 2.33 0.00 42 V 8.15 3.54 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 1.02 0.00 0.00 0.97 0.00 0.00 43 D 8.37 4.36 0.00 2.73 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 44 S 8.27 4.12 0.00 3.97 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 45 C 7.92 4.21 0.00 3.15 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 46 L 8.02 3.88 0.00 1.91 1.69 0.91 0.67 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 47 R 8.41 3.87 0.00 1.80 2.16 0.00 3.24 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 48 Q 8.30 4.27 0.00 2.27 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.68 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 49 G 8.02 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 0.00 0.00 0.00 50 N 8.28 4.67 0.00 2.78 2.79 0.00 0.00 6.96 7.69 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 51 M 7.87 3.84 0.00 0.90 1.82 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.52 0.00 52 T 8.10 4.12 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 1.35 0.00 0.00 53 A 8.00 4.17 1.34 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 54 A 8.20 3.95 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.09 3.87 0.00 1.98 1.97 0.71 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.73 3.99 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 57 A 8.28 4.20 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 58 A 8.21 3.95 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 59 L 7.72 4.30 0.00 1.64 1.75 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.38 4.19 0.00 1.96 1.73 0.00 1.95 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.41 7.81 61 N 8.74 4.14 0.00 2.89 2.78 0.00 0.00 6.90 8.03 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 62 P 0.00 4.76 0.00 2.25 2.34 0.00 3.73 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 63 P 0.00 4.75 0.00 2.23 2.12 0.00 3.74 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 2.19 2.15 0.00 64 I 7.59 3.63 1.87 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 1.25 0.42 0.90 0.00 0.00 65 N 8.14 4.95 0.00 2.67 2.79 0.00 0.00 6.83 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 66 T 7.88 4.58 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 1.22 0.00 0.00 67 K 8.53 4.16 0.00 1.77 1.88 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.36 7.81 68 S 7.53 4.50 0.00 3.96 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 69 Q 8.71 4.08 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 70 A 7.95 3.98 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 71 V 7.87 3.59 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 0.85 0.00 0.00 0.96 0.00 0.00 72 K 8.14 3.97 0.00 2.05 2.14 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.47 1.68 7.81 73 D 8.48 4.41 0.00 2.87 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 74 R 8.15 3.80 0.00 1.88 2.09 0.00 3.11 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 75 A 8.29 4.06 1.49 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 0.00 0.00 0.00 76 G 8.47 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 77 S 8.58 4.12 0.00 3.93 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 78 I 8.06 3.56 1.90 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 1.36 1.05 0.81 0.00 0.00 79 V 7.48 3.25 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 0.50 0.00 0.00 -0.17 0.00 0.00 80 L 8.12 3.67 0.00 1.73 1.73 0.78 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.39 3.72 0.00 1.87 1.96 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.45 7.81 82 V 7.41 3.60 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 1.11 0.00 0.00 0.90 0.00 0.00 83 L 7.27 3.46 0.00 1.33 0.55 0.34 -0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.43 4.03 2.03 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.36 0.94 0.00 0.00 85 S 8.00 4.28 0.00 4.07 3.95 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 86 F 7.65 3.94 0.00 3.64 3.27 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 87 K 8.78 4.42 0.00 1.86 1.74 0.00 1.54 0.00 0.00 1.97 0.00 0.00 2.78 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.48 7.81 88 A 8.29 3.98 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 89 N 8.13 4.60 0.00 2.72 2.87 0.00 0.00 6.80 8.06 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 90 D 8.87 4.83 0.00 3.06 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 91 I 7.51 2.69 1.29 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.70 -1.13 0.00 0.00 92 E 7.97 3.71 0.00 1.92 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 2.37 2.31 0.00 93 K 8.04 3.77 0.00 1.79 2.06 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.57 7.81 94 A 7.82 4.28 1.54 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 0.00 0.00 95 V 7.68 3.58 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 0.91 0.00 0.00 96 Q 8.15 4.12 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 97 S 7.96 4.36 0.00 4.06 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 98 L 7.25 4.27 0.00 1.78 1.67 0.98 0.94 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 99 D 8.28 4.75 0.00 2.96 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 0.00 100 K 8.42 3.94 0.00 1.80 1.91 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.54 1.49 7.81 101 N 8.38 4.40 0.00 2.87 2.90 0.00 0.00 6.97 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 0.00 102 G 9.31 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 0.00 0.00 0.00 103 V 7.93 3.66 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 1.13 0.00 0.00 0.99 0.00 0.00 104 D 8.30 4.38 0.00 3.04 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 0.00 105 L 7.95 3.90 0.00 1.90 1.91 0.82 0.56 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 0.00 106 L 8.44 4.05 0.00 1.80 2.01 0.80 1.04 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 0.00 107 M 8.42 4.10 0.00 2.34 2.21 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 2.80 0.00 108 K 8.06 4.08 0.00 1.81 1.65 0.00 1.60 0.00 0.00 1.52 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.62 7.81 109 Y 8.01 4.14 0.00 3.20 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 0.00 110 I 7.91 3.48 1.88 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.32 0.36 0.00 0.00 111 Y 7.88 4.01 0.00 3.14 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 0.00 112 K 8.37 4.26 0.00 1.96 2.00 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.49 7.81 113 G 8.10 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 0.00 114 F 7.55 4.80 0.00 3.38 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 0.00 115 E 8.08 4.47 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 2.42 2.47 0.00 116 S 8.23 4.70 0.00 3.77 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 0.00 117 P 0.00 4.42 0.00 2.07 2.03 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 118 S 8.72 4.50 0.00 3.98 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 0.00 119 D 8.18 3.89 0.00 2.78 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 0.00 120 N 7.90 4.89 0.00 2.73 2.77 0.00 0.00 6.55 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 0.00 121 S 8.70 4.26 0.00 3.99 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 0.00 122 S 8.19 4.26 0.00 3.96 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 0.00 123 A 8.49 4.08 1.41 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 0.00 0.00 0.00 124 V 7.80 3.64 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 0.98 0.00 0.00 1.25 0.00 0.00 125 L 8.26 4.07 0.00 1.92 1.37 0.65 0.17 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 0.00 126 L 8.25 4.31 0.00 1.98 1.80 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 7.74 4.06 0.00 2.28 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 128 W 8.38 3.85 0.00 3.48 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 0.00 129 H 8.53 4.25 0.00 3.36 3.58 0.00 5.59 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 E 8.07 3.96 0.00 2.24 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 0.00 2.29 2.36 0.00 131 K 7.88 3.89 0.00 1.84 1.69 0.00 1.51 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.20 1.34 7.81 132 A 8.41 4.00 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 0.00 133 L 8.16 3.84 0.00 1.78 1.93 0.93 1.48 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 0.00 134 A 7.93 4.07 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 0.00 135 A 7.86 4.38 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 0.00 136 G 8.75 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 0.00 0.00 0.00 137 G 8.37 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 0.00 138 V 8.17 3.84 2.11 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 0.83 0.00 0.00 0.96 0.00 0.00 139 G 8.13 3.69 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 0.00 0.00 0.00 140 S 7.87 4.36 0.00 4.09 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 0.00 141 I 7.60 3.91 2.09 0.00 0.00 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 1.80 0.76 0.88 0.00 0.00 142 V 7.67 3.55 2.27 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 1.01 0.00 0.00 0.94 0.00 0.00 143 R 8.02 3.99 0.00 1.90 1.95 0.00 3.20 0.00 0.00 3.09 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 144 V 7.46 3.61 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 0.56 0.00 0.00 1.03 0.00 0.00 145 L 7.62 4.05 0.00 1.69 1.64 0.85 0.68 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 0.00 146 T 7.94 4.06 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 1.18 0.00 0.00 147 A 7.01 4.04 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 0.00 148 R 8.58 4.27 0.00 1.83 2.15 0.00 3.32 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 149 K 7.90 4.49 0.00 1.68 1.94 0.00 1.60 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.45 7.81 150 T 8.02 4.61 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 1.17 0.00 0.00 151 V 8.06 3.71 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 -0.08 0.00 0.00 0.64 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.