NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.7675 8.3033 116.3107 54.9073 30.0419 173.9199 3 E 3.8331 8.8869 121.0016 59.2557 29.1714 179.2902 *4 W 4.0460 8.4487 124.7936 61.2701 28.9097 182.5182 5 A 4.3288 8.0738 121.1203 54.0533 17.7897 179.4012 6 L 3.9325 7.9332 119.3549 58.2324 42.2743 178.8855 7 A 4.0323 8.0058 120.6761 54.9662 18.2543 179.0970 8 D 4.2706 8.2737 116.6491 57.0902 41.2365 178.0750 9 A 4.1499 7.7040 119.9202 54.3895 18.7218 179.7153 10 I 3.6385 7.5490 118.1291 64.7218 37.2942 178.7957 11 V 3.7426 7.7411 118.9143 66.0910 31.1836 178.2278 12 R 4.0781 7.5932 117.3650 59.2620 29.9556 179.0288 13 T 3.9752 7.7722 115.3906 66.5018 68.3754 176.9360 14 V 3.6820 8.1172 120.2879 66.1345 31.7185 178.0357 15 L 4.0528 8.2044 118.6223 57.8712 41.5146 179.2549 16 D 4.3996 8.2142 118.8545 57.5917 40.5786 178.3798 17 Y 4.0923 7.8608 118.1810 60.6342 39.1989 177.2974 18 A 3.8232 8.3601 122.1136 55.4646 18.3695 178.7805 19 Q 3.8932 8.5374 118.2042 59.7315 28.7288 179.5521 20 R 4.4206 7.8045 113.8698 56.5166 29.7183 176.6814 21 E 4.4184 7.9475 115.2126 55.5881 31.9294 175.5057 22 G 3.9776 8.2078 105.8084 45.9709 0.0000 173.7808 23 A 4.1178 7.4478 120.4827 51.8816 18.8669 178.7500 24 S 4.5321 8.0547 113.2779 58.2960 64.2849 174.2626 25 R 4.2775 7.1051 117.7760 55.6406 32.2085 173.4402 26 V 4.1247 7.8204 124.2875 61.3536 32.1110 175.6512 27 K 4.2419 8.7486 128.3008 59.2364 32.9029 176.9681 28 A 5.1195 7.6027 117.6831 50.8903 22.7166 175.5331 29 V 4.4016 8.8341 118.4672 61.2851 35.2865 173.9554 30 R 4.9952 8.8032 128.1153 54.8451 31.4997 174.8177 31 V 4.5054 9.0464 127.2552 61.1321 34.3099 174.2550 32 V 4.8397 8.3312 126.6978 61.1654 33.3768 174.5452 33 L 4.6685 8.3809 127.2814 52.3680 45.0611 176.3169 34 G 3.8436 8.6121 111.2650 46.0625 0.0000 174.0260 35 E 3.6222 10.0949 126.0922 58.2873 29.7937 178.1043 36 L 4.3852 7.5425 115.9277 55.5123 42.4329 176.6484 37 Q 4.1286 8.6419 120.6931 55.8582 29.0063 175.5181 38 D 4.8295 8.5172 121.4912 53.2052 39.8973 176.8334 39 V 4.0052 7.4803 111.9932 61.3023 32.5989 176.0549 40 A 4.3932 9.2843 125.3007 51.3367 19.6360 178.7876 41 E 4.0170 8.8012 125.3187 59.6004 29.7874 179.0630 42 D 4.5883 8.1641 118.4075 56.0240 39.6475 178.3701 43 I 3.9161 7.7524 121.2448 63.8522 37.2672 178.2046 44 V 3.6709 7.6189 119.5155 65.9236 31.3655 178.2789 45 K 4.0414 8.3846 118.3647 59.3274 31.7388 179.0468 46 F 4.1130 8.3231 120.6633 61.4041 39.1650 177.0818 47 A 4.1101 8.0673 118.5447 54.6632 18.3251 179.4196 48 M 3.8095 7.8524 117.7997 58.5850 32.2643 178.4651 49 E 3.9296 8.2662 118.9469 59.7720 29.3485 179.5601 50 Q 3.9787 7.4165 117.0191 58.1854 28.8606 177.8149 51 L 4.2489 7.7235 119.4237 56.8821 42.0958 178.7007 52 F 4.9332 8.0278 117.2019 58.6772 38.8253 175.1277 53 A 4.1105 7.2706 121.1007 54.5954 18.2943 176.4863 54 G 4.0492 9.2613 111.7954 45.7646 0.0000 173.6640 55 T 4.4751 7.9944 116.4488 61.5035 70.1989 175.6364 56 I 3.6342 8.1747 115.3340 63.3236 37.5851 177.0592 57 A 4.0319 7.5878 122.9987 51.7457 18.8785 176.4376 58 E 4.1570 7.7728 118.2807 57.7747 29.8929 177.2953 59 G 3.9186 9.0845 114.3303 44.7674 0.0000 173.2656 60 A 4.2088 7.5092 123.5115 53.2988 19.0894 177.9242 61 E 4.1272 9.4928 120.6719 56.4813 31.0553 174.0509 62 I 4.6609 8.3160 126.1671 58.7854 38.6851 174.6199 63 E 4.6193 8.8195 128.5793 54.1998 32.3410 174.4670 64 F 5.8203 8.7194 124.1066 55.8016 42.2612 174.7014 65 V 4.3933 8.8601 123.2969 60.6711 33.9650 174.3450 66 E 4.3652 8.9997 129.5522 56.4203 30.2092 175.6598 67 E 4.4724 9.2896 128.5100 54.2376 30.9317 174.7927 68 E 4.2703 8.8845 126.4381 55.7150 28.9628 177.1175 69 A 3.9550 8.5099 124.8957 51.9610 19.9334 176.6210 70 V 4.0350 7.3448 119.8308 61.1565 34.7268 174.1322 71 F 4.6490 7.9309 125.8326 55.2861 42.3006 174.5891 72 K 4.8119 8.2130 121.9173 54.4641 34.4829 175.2761 73 C 4.6039 9.6135 129.7961 59.7171 32.3948 174.0405 74 R 4.4282 8.8637 121.5275 56.4292 29.8433 176.2653 75 N 4.6451 8.2833 117.4658 55.6236 39.3311 175.5051 76 C 4.7664 7.9306 110.3224 57.3863 30.1050 173.5888 77 N 4.6698 8.0438 114.2269 53.7272 36.0804 173.1063 78 Y 4.8135 7.7605 119.2600 56.7529 40.5710 173.7642 79 E 5.3028 8.4507 126.0005 54.6571 31.5647 175.2002 80 W 5.1628 8.6007 119.6185 55.2349 32.2989 173.9624 81 K 4.7988 8.5885 119.6356 54.4067 34.5091 177.4681 82 L 4.5366 7.9958 117.5550 56.6152 41.0720 180.3883 83 K 4.0989 8.6830 128.0228 60.0214 31.7340 182.7994 84 E 4.3361 8.4023 119.0832 58.9727 29.3653 179.3936 85 V 3.7576 7.8757 121.2997 66.3887 31.2164 178.6983 86 K 4.1106 8.2529 125.9668 60.5088 31.2539 182.4869 87 D 4.7002 7.9874 123.1833 58.7699 39.7574 181.7251 88 K 4.3822 7.9359 125.8356 59.5368 32.0886 181.7957 *89 F 4.1319 7.0014 118.8210 57.9956 38.3133 178.5108 *104 V 4.0963 8.2024 120.5662 61.5808 33.2496 176.4973 *105 H 4.5971 8.1657 115.3123 55.4303 27.7217 179.9610 106 A 4.2681 7.9087 127.7851 53.3491 16.5136 177.3220 *107 F 4.6019 8.0855 118.9621 56.8114 41.9066 173.5590 108 L 4.9036 8.3275 124.8299 51.7346 44.8537 171.6299 109 A 4.5754 8.2880 121.1662 51.7325 22.6010 178.1983 110 C 3.7443 7.4813 117.1918 59.7101 28.4559 172.6243 111 P 4.2717 0.0000 0.0000 64.1210 31.1857 178.6766 112 K 4.2830 8.5322 121.8641 56.6539 32.2717 180.6381 113 C 4.6594 8.9449 110.7063 57.8682 31.2761 175.7446 114 G 4.6696 8.8925 118.2040 45.1721 0.0000 173.9613 115 S 3.2733 7.3911 114.1986 61.3221 64.3920 170.1195 116 H 4.6886 7.7390 123.4616 56.6385 32.8425 174.8388 117 D 4.6736 8.2253 118.7485 52.9365 40.6450 174.4328 118 F 4.9842 7.4088 118.8136 54.6579 41.0317 174.1784 119 E 4.5117 8.7364 120.1571 54.6394 31.8512 175.6649 120 V 4.1489 8.0162 119.2573 61.3061 31.2746 175.6234 121 V 3.8050 8.4885 128.1647 65.1547 31.7315 176.3864 122 K 4.8017 8.2468 116.1787 53.7508 37.0305 176.0852 123 G 4.3491 9.0415 118.7974 47.5243 0.0000 174.7584 124 R 4.0320 9.5165 118.0582 59.2097 30.4276 179.9685 125 G 4.0162 7.5335 105.7697 45.1308 0.0000 172.6991 126 V 4.4882 8.3266 124.8191 61.1645 33.7938 173.9580 127 Y 4.7799 8.0037 122.9443 56.1607 40.4189 174.7758 128 V 4.0234 8.2324 120.9219 61.3077 30.8838 174.9695 129 A 4.4222 8.3315 130.3351 53.7156 18.9841 177.9165 130 G 4.2739 7.6957 102.2849 44.0548 0.0000 172.2456 131 I 4.3936 8.0983 121.5682 59.8151 40.8141 174.3368 132 K 4.5190 8.5535 126.9961 54.7447 33.5911 174.9245 133 I 4.7591 7.8702 117.0724 59.4802 40.8958 173.7026 134 E 4.7326 8.4220 118.8156 54.5121 32.6358 175.3951 135 K 4.5913 8.3736 122.6949 56.4086 35.5562 175.4660 136 E 4.6633 8.5740 114.8169 54.0329 33.1090 176.2724 137 G 3.8131 8.7301 111.5422 44.7528 0.0000 173.1392 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 H 8.30 4.77 0.00 3.37 3.52 0.00 5.66 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 E 8.89 3.83 0.00 2.18 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 2.59 2.49 0.00 *4 W 8.45 4.05 0.00 2.50 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.07 4.33 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 0.00 0.00 0.00 0.00 0.00 6 L 7.93 3.93 0.00 1.85 1.72 0.85 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.01 4.03 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 8 D 8.27 4.27 0.00 3.07 2.67 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 9 A 7.70 4.15 1.37 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 10 I 7.55 3.64 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.71 0.98 0.00 0.00 11 V 7.74 3.74 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 1.16 0.00 0.00 0.62 0.00 0.00 12 R 7.59 4.08 0.00 2.22 1.98 0.00 3.19 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 13 T 7.77 3.98 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 14 V 8.12 3.68 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 1.21 0.00 0.00 1.11 0.00 0.00 15 L 8.20 4.05 0.00 1.87 1.76 1.05 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.21 4.40 0.00 3.04 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 17 Y 7.86 4.09 0.00 3.00 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 18 A 8.36 3.82 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 19 Q 8.54 3.89 0.00 2.25 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.04 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 20 R 7.80 4.42 0.00 2.00 1.99 0.00 3.15 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.62 0.00 21 E 7.95 4.42 0.00 1.71 1.63 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 1.83 1.47 0.00 22 G 8.21 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 0.00 0.00 0.00 23 A 7.45 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.05 4.53 0.00 3.95 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 25 R 7.11 4.28 0.00 1.68 1.73 0.00 3.16 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.57 0.00 26 V 7.82 4.12 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.85 0.00 0.00 27 K 8.75 4.24 0.00 1.71 1.81 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.38 7.81 28 A 7.60 5.12 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 29 V 8.83 4.40 2.21 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 1.04 0.00 0.00 1.06 0.00 0.00 30 R 8.80 5.00 0.00 1.85 1.82 0.00 3.33 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.77 0.00 31 V 9.05 4.51 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.15 0.00 0.00 32 V 8.33 4.84 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 0.82 0.00 0.00 0.92 0.00 0.00 33 L 8.38 4.67 0.00 1.50 1.35 0.33 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.61 3.84 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 0.00 0.00 0.00 35 E 10.09 3.62 0.00 1.96 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 0.00 2.29 2.28 0.00 36 L 7.54 4.39 0.00 1.62 1.67 0.84 0.99 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 37 Q 8.64 4.13 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.35 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 38 D 8.52 4.83 0.00 2.76 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 39 V 7.48 4.01 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 0.67 0.00 0.00 0.84 0.00 0.00 40 A 9.28 4.39 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.80 4.02 0.00 2.13 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 0.00 2.11 2.28 0.00 42 D 8.16 4.59 0.00 2.96 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 43 I 7.75 3.92 2.08 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 1.45 0.50 0.93 0.00 0.00 44 V 7.62 3.67 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.01 0.00 0.00 45 K 8.38 4.04 0.00 1.93 1.82 0.00 1.61 0.00 0.00 1.33 0.00 0.00 2.13 0.00 0.00 2.21 0.00 0.00 0.00 0.00 1.02 1.75 7.81 46 F 8.32 4.11 0.00 3.36 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 47 A 8.07 4.11 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 M 7.85 3.81 0.00 1.64 2.18 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.33 0.00 49 E 8.27 3.93 0.00 1.76 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.58 0.00 50 Q 7.42 3.98 0.00 1.83 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.96 0.00 0.00 0.00 0.00 0.00 1.96 2.25 0.00 51 L 7.72 4.25 0.00 1.52 1.66 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.03 4.93 0.00 3.03 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 53 A 7.27 4.11 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 G 9.26 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 55 T 7.99 4.48 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 1.21 0.00 0.00 56 I 8.17 3.63 1.80 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 1.29 0.81 0.87 0.00 0.00 57 A 7.59 4.03 0.10 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 58 E 7.77 4.16 0.00 2.18 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 2.32 2.28 0.00 59 G 9.08 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 60 A 7.51 4.21 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 61 E 9.49 4.13 0.00 1.62 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 2.24 2.16 0.00 62 I 8.32 4.66 1.66 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.23 0.41 0.00 0.00 63 E 8.82 4.62 0.00 2.00 1.76 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 2.24 2.25 0.00 64 F 8.72 5.82 0.00 2.91 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 65 V 8.86 4.39 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 0.95 0.00 0.00 0.97 0.00 0.00 66 E 9.00 4.37 0.00 2.00 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 2.26 2.27 0.00 67 E 9.29 4.47 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 2.12 2.19 0.00 68 E 8.88 4.27 0.00 1.81 1.78 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 2.51 2.12 0.00 69 A 8.51 3.96 0.87 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 70 V 7.34 4.03 1.79 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 0.63 0.00 0.00 0.76 0.00 0.00 71 F 7.93 4.65 0.00 1.51 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 72 K 8.21 4.81 0.00 1.66 1.66 0.00 1.94 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.45 7.81 73 C 9.61 4.60 0.00 3.58 3.35 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 74 R 8.86 4.43 0.00 2.00 2.06 0.00 3.12 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 75 N 8.28 4.65 0.00 2.71 2.91 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 76 C 7.93 4.77 0.00 3.12 3.08 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 0.00 0.00 0.00 77 N 8.04 4.67 0.00 2.88 3.05 0.00 0.00 7.17 7.46 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 78 Y 7.76 4.81 0.00 3.11 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.45 5.30 0.00 1.76 1.71 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 2.17 2.27 0.00 80 W 8.60 5.16 0.00 3.38 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 81 K 8.59 4.80 0.00 1.83 1.67 0.00 1.61 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.26 1.35 7.81 82 L 8.00 4.54 0.00 1.82 1.79 1.11 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.68 4.10 0.00 1.71 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 84 E 8.40 4.34 0.00 2.09 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 0.00 2.76 2.55 0.00 85 V 7.88 3.76 2.38 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 1.03 0.00 0.00 1.02 0.00 0.00 86 K 8.25 4.11 0.00 1.84 1.81 0.00 1.86 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.33 7.81 87 D 7.99 4.70 0.00 2.81 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 7.94 4.38 0.00 1.87 1.76 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.39 1.33 7.81 *89 F 7.00 4.13 0.00 2.28 2.14 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 *104 V 8.20 4.10 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 0.86 0.00 0.00 0.93 0.00 0.00 *105 H 8.17 4.60 0.00 2.93 2.96 0.00 7.17 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 0.00 106 A 7.91 4.27 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *107 F 8.09 4.60 0.00 2.27 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 0.00 108 L 8.33 4.90 0.00 1.59 1.39 0.92 0.72 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 0.00 109 A 8.29 4.58 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 110 C 7.48 3.74 0.00 3.05 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 0.00 111 P 0.00 4.27 0.00 2.19 2.12 0.00 3.73 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 1.95 1.92 0.00 112 K 8.53 4.28 0.00 1.74 1.75 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.23 7.81 113 C 8.94 4.66 0.00 3.06 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 0.00 114 G 8.89 4.67 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 0.00 0.00 0.00 115 S 7.39 3.27 0.00 4.14 4.07 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 0.00 0.00 0.00 116 H 7.74 4.69 0.00 3.11 3.30 0.00 5.91 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.23 4.67 0.00 2.61 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 0.00 118 F 7.41 4.98 0.00 3.08 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 0.00 119 E 8.74 4.51 0.00 2.11 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 0.00 2.21 2.31 0.00 120 V 8.02 4.15 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 0.87 0.00 0.00 1.04 0.00 0.00 121 V 8.49 3.81 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 0.86 0.00 0.00 0.95 0.00 0.00 122 K 8.25 4.80 0.00 1.74 1.67 0.00 1.98 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.42 7.81 123 G 9.04 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 0.00 0.00 0.00 0.00 124 R 9.52 4.03 0.00 1.84 1.87 0.00 3.31 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 125 G 7.53 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 V 8.33 4.49 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 0.90 0.00 0.00 1.02 0.00 0.00 127 Y 8.00 4.78 0.00 3.05 2.81 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 0.00 128 V 8.23 4.02 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 0.83 0.00 0.00 0.94 0.00 0.00 129 A 8.33 4.42 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 0.00 130 G 7.70 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.10 4.39 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.50 0.91 0.00 0.00 132 K 8.55 4.52 0.00 1.70 1.68 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.40 7.81 133 I 7.87 4.76 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.80 0.91 0.00 0.00 134 E 8.42 4.73 0.00 1.91 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 2.19 2.25 0.00 135 K 8.37 4.59 0.00 1.81 1.73 0.00 1.51 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.43 7.81 136 E 8.57 4.66 0.00 1.95 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.84 0.00 137 G 8.73 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 * Residues marked with a * may have inaccurate shift predictions.