NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 H 4.5113 8.4449 117.3789 54.1896 28.5793 171.8923 *2 R 4.5455 8.2325 123.8852 55.6700 31.2870 174.7979 3 H 4.8250 9.2305 121.1503 53.9801 32.2417 173.5092 4 I 4.6697 8.5175 123.9956 59.8080 38.6176 174.5878 5 I 4.6086 8.6789 129.5916 60.4033 38.8449 175.0963 6 S 5.1059 8.8580 121.6873 56.3333 64.9010 172.6665 7 L 5.1882 8.2909 125.3645 54.4975 44.0765 175.0381 8 L 5.1643 8.3596 120.4227 52.8216 44.5677 175.5252 *10 E 4.3620 8.4474 118.7084 55.9848 30.2406 177.1011 11 N 4.8832 9.3271 128.1107 52.9080 36.0853 173.2202 12 E 4.6924 7.7912 119.5813 53.5803 33.6696 175.4308 13 A 4.0397 8.3933 122.8070 53.5650 18.9024 176.7898 14 G 4.0817 9.5836 111.1736 45.3132 0.0000 175.3852 15 A 4.7367 7.7580 123.2625 55.2132 18.2272 179.5150 16 L 4.0181 7.8966 118.2287 58.0348 42.0088 178.9350 17 S 4.1831 8.0414 113.8334 61.4670 62.8774 176.6415 18 R 4.0446 8.6728 122.1399 58.9888 29.8233 179.0851 19 V 3.7009 7.8459 117.6552 65.9813 31.5494 177.9974 20 A 4.3455 8.6607 121.1275 54.7514 18.2131 179.9064 21 G 3.5685 8.2994 104.7521 47.7451 0.0000 175.4731 22 L 3.9764 7.7492 121.8882 58.0626 42.3582 178.8123 23 F 4.4217 8.1221 115.9731 60.7585 38.6342 177.4316 24 S 4.0777 8.3013 112.3110 61.6307 61.9827 175.8724 25 A 4.0894 8.1950 122.2049 54.6067 17.4165 178.7793 26 R 4.2855 7.3112 112.0824 55.0879 30.6928 177.0911 27 G 3.9096 7.6379 106.4923 46.1280 0.0000 173.8638 28 Y 4.5311 6.7439 117.2245 57.8156 38.3926 175.4277 29 N 4.7602 8.8693 122.2905 53.3854 40.1840 174.1824 30 I 4.2320 8.2048 126.1139 59.7049 38.8178 175.0158 31 E 4.2514 9.4362 130.1286 58.9159 30.0778 176.8245 32 S 4.7104 7.7106 111.6404 57.3606 66.5926 172.9063 33 L 4.9839 8.2139 122.3535 54.0663 44.7930 174.7488 34 S 5.0074 9.1065 123.1132 56.7066 65.4081 174.0478 35 V 5.1960 8.3212 121.9664 60.1872 34.3605 173.6559 36 A 4.5101 8.1836 122.3133 50.5096 22.3953 173.8114 37 P 4.7079 0.0000 0.0000 63.0546 32.3417 176.7233 38 T 4.3686 8.4145 113.4205 60.6344 70.6676 174.7473 39 E 3.8691 8.4177 120.2834 59.0771 29.7474 177.3243 40 D 4.7884 7.8600 120.1524 51.7010 41.8306 174.7883 41 P 4.5207 0.0000 0.0000 64.4449 31.8718 177.1726 42 T 4.1986 8.4691 110.2606 63.3886 70.1947 174.2870 43 L 5.0942 8.2240 122.8572 52.9579 44.8182 175.9883 44 S 5.1407 8.6622 118.4535 56.9923 66.6597 172.8948 45 R 5.2061 8.3156 121.7095 53.9917 33.8135 174.2980 *47 T 4.4852 8.1414 115.3026 63.3381 70.0081 173.0955 48 L 5.0937 9.3679 128.9976 53.0766 45.6203 174.9630 49 V 4.8331 8.4738 125.5281 61.4794 33.7592 174.2872 50 T 5.1735 8.8842 121.3673 60.3755 71.5035 172.0492 51 N 5.1890 8.8577 123.3732 52.1077 40.7600 174.2445 52 G 3.9745 8.2906 111.4308 44.1831 0.0000 170.4756 53 P 4.4670 0.0000 0.0000 62.2864 32.2382 176.9676 54 D 4.3972 9.1055 122.5833 58.7125 40.6973 180.0560 55 E 4.2653 8.1114 117.5107 60.5658 29.6471 180.9823 56 I 3.9801 7.7046 118.8474 64.6750 37.2908 178.2927 57 V 3.4155 7.7180 120.9558 66.8257 31.2548 178.1420 58 E 3.9680 8.4637 118.2065 61.3783 29.3274 180.7888 59 Q 4.1229 7.5507 118.0762 58.9304 29.1274 178.1478 60 I 3.2533 7.5233 121.0717 64.4670 37.1628 178.5441 61 T 3.9069 8.2711 119.4355 66.9386 68.0083 177.5159 62 K 3.9349 8.0254 124.9012 60.0927 31.6008 180.7422 63 Q 4.3157 8.3478 119.9758 58.6840 28.6009 179.1679 64 L 4.0184 8.3806 120.3882 57.9093 41.4505 179.3064 65 N 4.4061 7.8560 114.9206 56.1422 38.4624 177.3006 66 K 4.1117 7.5597 118.6372 58.1057 32.1249 177.9959 67 L 4.0995 7.4335 119.6408 54.6907 41.9912 178.4067 68 I 3.8393 8.3289 116.6591 63.5149 38.0225 176.8455 69 E 4.1105 8.1228 119.5382 57.3012 29.8501 175.8486 70 V 4.3752 7.2776 118.8933 61.7933 32.0953 175.0132 71 V 4.1000 8.8147 127.4711 64.1031 32.5594 175.5007 72 K 4.8168 7.2994 116.5716 54.8790 36.9939 174.9176 73 L 4.8141 7.9646 119.4601 54.5416 44.9751 173.5116 74 I 4.6228 8.4384 125.7096 59.1322 42.4126 174.1166 75 D 4.8210 8.6612 127.4735 53.1771 40.2150 176.2777 76 L 3.9462 8.4646 130.5206 58.0467 42.2033 179.4413 77 S 3.8905 7.8355 113.7610 60.5586 62.8231 174.9088 78 S 4.5275 7.8871 113.6282 58.2074 62.8129 172.7322 79 E 4.6802 7.8225 121.0879 54.6557 32.9966 174.3659 80 G 3.9758 8.5118 107.5957 46.8886 0.0000 172.2507 81 Y 5.5370 7.8005 120.0326 56.0048 41.4426 173.9471 82 V 4.6264 9.4043 113.1126 59.4705 35.2391 174.9320 83 E 5.4036 8.7979 121.0234 54.9387 32.8514 174.9077 84 R 5.0087 8.9822 119.0576 54.7950 35.2530 173.6920 85 E 4.9308 9.3449 122.2369 54.5018 33.8280 174.2772 86 L 5.4330 8.2560 126.0216 52.3435 45.9878 174.6080 *88 L 4.5157 8.1357 118.6268 54.5626 43.3343 176.3448 89 V 4.6095 8.5303 124.2522 60.9595 34.2388 173.9652 90 K 4.9904 9.0910 130.6427 55.2772 33.8022 175.5738 91 V 4.9809 8.8654 120.5753 59.2661 35.7498 174.9431 92 R 4.4167 8.6155 124.9794 56.5025 30.6253 176.4864 93 A 4.5099 9.1648 128.4500 50.4648 20.5062 175.2213 94 V 4.3766 7.7911 113.1243 60.7839 36.7048 177.1049 95 G 3.7631 8.3692 111.4332 46.4326 0.0000 177.2981 96 K 4.0652 8.5625 122.4731 59.1013 32.5502 178.5312 97 D 4.5192 7.7369 118.5423 56.5020 40.7051 178.2710 98 R 4.0930 7.7954 118.7484 59.2550 30.3578 178.4723 99 E 4.2453 8.1337 117.9104 59.2291 29.5260 179.0346 100 E 4.0073 7.8879 114.8535 57.3050 29.3218 177.9866 *102 K 4.1563 7.9292 120.1249 56.2507 34.1480 177.8572 103 R 3.9770 8.5592 118.1202 59.3956 29.9298 179.0869 104 L 4.1918 8.3236 118.4801 57.6744 41.5704 179.1184 105 A 4.1509 8.2744 120.2737 55.6704 18.3331 179.2805 106 D 4.3227 8.3938 117.1943 57.5381 40.6474 179.1234 107 I 3.7273 8.0035 119.6646 64.2073 37.2151 177.6016 108 F 4.4143 8.3381 115.2354 56.3360 39.1084 175.7230 109 R 3.7735 7.8913 116.6084 57.2128 28.0063 176.4204 110 G 4.0447 8.0601 105.1331 45.4350 0.0000 173.5177 111 N 5.1686 8.8560 116.0206 51.2663 42.8790 174.4240 112 I 4.3666 8.3472 124.1132 60.9737 37.6985 175.6553 113 I 4.5196 8.7391 119.8057 60.4259 38.7127 174.8900 114 D 4.8592 7.8456 122.1281 53.4659 44.6682 174.2574 115 V 5.1479 8.3847 124.8565 60.7566 34.0994 173.8497 116 T 4.7328 8.6075 113.8698 59.1304 71.6980 174.2627 117 N 4.3198 8.7864 118.0974 56.0656 38.5847 175.5790 118 E 4.8836 8.7054 115.2244 55.4146 32.2364 175.2548 119 L 5.1390 7.7938 118.7325 54.3805 44.7021 174.7076 120 Y 5.4981 8.8261 116.2902 56.7118 42.4812 174.6220 121 T 5.0129 8.9604 119.5015 62.0851 71.1094 173.2993 122 I 4.7689 8.8508 128.2008 59.5540 39.7640 174.2034 123 E 4.8017 9.2894 128.4005 54.5373 31.4267 174.5189 124 L 5.0522 8.2757 125.6712 53.2373 45.6732 175.5343 125 T 5.2798 8.3513 117.8196 60.2966 72.7137 173.9221 126 G 4.0686 7.9763 109.0844 46.7926 0.0000 171.7957 127 T 4.6685 7.8203 110.2643 60.7436 70.0798 175.0970 128 R 3.9189 9.2648 121.9340 60.0401 29.7380 178.5035 129 S 4.2822 8.0660 113.1306 61.0723 63.1620 176.0552 130 K 4.1133 7.8428 122.3824 59.5373 32.0335 178.8604 131 L 4.0514 7.9011 118.7495 57.8699 41.4788 179.1536 132 D 4.5296 8.7434 119.5215 57.3017 40.7236 179.1476 133 G 3.7271 8.5907 106.8273 47.4990 0.0000 175.4523 134 F 2.7916 8.0850 122.9697 60.9056 39.0968 177.3735 135 L 3.9373 7.6467 116.8344 57.7317 41.4307 179.1697 136 Q 4.0831 8.1339 117.4200 58.9490 28.7155 178.4505 137 A 4.0499 7.5945 120.8030 53.8109 18.8529 178.3876 138 V 3.5589 6.6883 116.2414 62.2862 32.5862 175.4000 139 D 4.4983 8.4030 126.1321 53.9669 41.6303 177.0388 140 C 4.0908 8.9297 119.6611 61.2487 29.6606 175.7173 141 N 4.5409 8.1482 116.3815 55.2898 37.0792 176.0353 142 L 4.0835 7.8510 118.4137 56.9311 41.9677 176.8807 143 I 4.3127 7.9480 120.7627 61.0648 37.4493 175.7433 144 L 4.3764 9.1217 127.0810 57.2983 42.2496 176.6659 145 E 4.7971 7.7760 113.9584 56.0203 32.7147 174.2128 146 I 5.1911 8.1956 119.3760 59.8227 41.3368 174.7008 147 A 4.6938 9.3528 128.1059 50.1628 21.5059 175.4251 148 R 4.7732 8.4978 122.6064 54.9987 32.5809 175.1659 149 T 4.0323 9.3117 116.8135 61.5945 69.5326 173.4986 150 G 4.0210 8.1011 114.2208 44.4456 0.0000 173.5766 151 V 3.9192 8.2179 120.5424 63.2371 32.5098 175.1054 152 S 4.7292 9.2700 121.1917 56.5234 65.1617 172.9658 153 G 4.6895 8.7123 112.6060 44.7109 0.0000 171.2799 154 L 5.0767 8.7313 119.0182 52.5316 46.4104 176.5752 155 S 4.8123 8.7190 117.1748 58.8002 63.5979 174.5109 156 R 3.9518 8.5602 122.2551 57.3051 29.7089 179.0455 157 G 3.8430 8.6993 109.2913 45.6264 0.0000 174.5526 158 E 4.0480 8.7678 118.3043 58.7036 29.8368 177.3799 159 R 3.9660 7.2902 120.2419 56.5282 30.7124 175.9898 160 V 4.5613 8.0526 117.5534 59.1717 35.2537 176.4723 161 L 4.0529 8.6328 125.1454 58.0176 42.1347 178.6390 162 K 4.0997 8.0634 115.9956 58.6925 32.8259 176.5987 163 L 4.2847 7.3067 123.3702 54.7902 41.7094 176.0143 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 *0 H 8.44 4.51 0.00 2.95 2.99 0.00 7.20 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 R 8.23 4.55 0.00 1.71 1.95 0.00 3.14 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.66 0.00 3 H 9.23 4.83 0.00 3.01 3.28 0.00 5.58 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.52 4.67 1.55 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.56 0.78 0.00 0.00 5 I 8.68 4.61 1.90 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 1.12 0.78 0.94 0.00 0.00 6 S 8.86 5.11 0.00 3.84 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 7 L 8.29 5.19 0.00 1.88 1.70 0.94 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.36 5.16 0.00 1.64 1.62 0.92 0.94 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 *10 E 8.45 4.36 0.00 1.88 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 2.39 2.27 0.00 11 N 9.33 4.88 0.00 2.64 2.95 0.00 0.00 7.01 7.53 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 12 E 7.79 4.69 0.00 2.12 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 2.43 2.28 0.00 13 A 8.39 4.04 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 14 G 9.58 4.08 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 0.00 0.00 0.00 15 A 7.76 4.74 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 16 L 7.90 4.02 0.00 1.77 1.67 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.04 4.18 0.00 4.10 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 18 R 8.67 4.04 0.00 2.05 2.04 0.00 3.14 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 19 V 7.85 3.70 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 1.15 0.00 0.00 1.03 0.00 0.00 20 A 8.66 4.35 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 21 G 8.30 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 22 L 7.75 3.98 0.00 1.83 2.02 0.91 0.60 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 23 F 8.12 4.42 0.00 3.45 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 24 S 8.30 4.08 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 25 A 8.20 4.09 1.26 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 26 R 7.31 4.29 0.00 1.12 0.77 0.00 3.14 0.00 0.00 3.02 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.42 0.00 27 G 7.64 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 0.00 0.00 0.00 28 Y 6.74 4.53 0.00 3.42 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 29 N 8.87 4.76 0.00 2.81 2.81 0.00 0.00 6.85 7.94 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 30 I 8.20 4.23 1.73 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.45 0.71 0.00 0.00 31 E 9.44 4.25 0.00 1.93 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 2.32 2.26 0.00 32 S 7.71 4.71 0.00 3.87 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 33 L 8.21 4.98 0.00 1.51 1.46 0.79 0.82 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 34 S 9.11 5.01 0.00 3.86 3.71 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 35 V 8.32 5.20 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 0.77 0.00 0.00 0.97 0.00 0.00 36 A 8.18 4.51 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 37 P 0.00 4.71 0.00 1.95 2.00 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 38 T 8.41 4.37 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 1.25 0.00 0.00 39 E 8.42 3.87 0.00 1.96 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 2.33 2.42 0.00 40 D 7.86 4.79 0.00 2.69 2.53 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 41 P 0.00 4.52 0.00 2.20 2.15 0.00 3.55 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 1.98 2.06 0.00 42 T 8.47 4.20 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 1.21 0.00 0.00 43 L 8.22 5.09 0.00 1.59 1.57 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.66 5.14 0.00 3.75 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 45 R 8.32 5.21 0.00 1.91 1.78 0.00 3.38 0.00 0.00 3.27 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.45 0.00 *47 T 8.14 4.49 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 1.22 0.00 0.00 48 L 9.37 5.09 0.00 1.58 1.43 0.61 0.45 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 49 V 8.47 4.83 2.05 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 0.89 0.00 0.00 0.91 0.00 0.00 50 T 8.88 5.17 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 1.28 0.00 0.00 51 N 8.86 5.19 0.00 2.63 2.74 0.00 0.00 6.76 8.18 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 52 G 8.29 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 53 P 0.00 4.47 0.00 2.23 2.20 0.00 3.75 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 54 D 9.11 4.40 0.00 2.71 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 55 E 8.11 4.27 0.00 1.97 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 2.31 1.97 0.00 56 I 7.70 3.98 1.95 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 0.40 0.86 0.00 0.00 57 V 7.72 3.42 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 0.88 0.00 0.00 0.68 0.00 0.00 58 E 8.46 3.97 0.00 1.96 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 2.25 2.21 0.00 59 Q 7.55 4.12 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 60 I 7.52 3.25 1.65 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.32 0.34 0.00 0.00 61 T 8.27 3.91 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 1.17 0.00 0.00 62 K 8.03 3.93 0.00 1.83 1.73 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.36 7.81 63 Q 8.35 4.32 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 64 L 8.38 4.02 0.00 1.65 1.72 1.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 65 N 7.86 4.41 0.00 2.94 2.87 0.00 0.00 7.10 6.90 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 66 K 7.56 4.11 0.00 2.22 1.87 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.47 1.35 7.81 67 L 7.43 4.10 0.00 1.82 1.62 0.96 0.91 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 68 I 8.33 3.84 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 0.54 0.91 0.00 0.00 69 E 8.12 4.11 0.00 2.07 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 2.51 2.30 0.00 70 V 7.28 4.38 2.34 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 0.78 0.00 0.00 0.96 0.00 0.00 71 V 8.81 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 0.84 0.00 0.00 0.93 0.00 0.00 72 K 7.30 4.82 0.00 1.78 1.62 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.71 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.41 0.98 7.81 73 L 7.96 4.81 0.00 1.60 1.48 0.93 0.90 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 74 I 8.44 4.62 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 1.11 1.33 0.90 0.00 0.00 75 D 8.66 4.82 0.00 2.71 2.57 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 76 L 8.46 3.95 0.00 1.68 1.40 0.92 1.05 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 77 S 7.84 3.89 0.00 4.03 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 78 S 7.89 4.53 0.00 4.03 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 79 E 7.82 4.68 0.00 1.89 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 2.25 2.33 0.00 80 G 8.51 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 81 Y 7.80 5.54 0.00 3.11 2.94 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 82 V 9.40 4.63 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 0.76 0.00 0.00 1.02 0.00 0.00 83 E 8.80 5.40 0.00 1.98 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 2.43 2.57 0.00 84 R 8.98 5.01 0.00 1.71 1.80 0.00 3.24 0.00 0.00 3.11 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 85 E 9.34 4.93 0.00 1.98 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 2.18 2.28 0.00 86 L 8.26 5.43 0.00 1.74 1.49 0.90 0.40 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 *88 L 8.14 4.52 0.00 1.89 1.62 0.89 0.66 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 89 V 8.53 4.61 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 1.14 0.00 0.00 0.89 0.00 0.00 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0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.53 0.00 99 E 8.13 4.25 0.00 2.23 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 2.43 2.46 0.00 100 E 7.89 4.01 0.00 2.14 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 2.38 0.00 *102 K 7.93 4.16 0.00 2.01 2.11 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.54 7.81 103 R 8.56 3.98 0.00 2.06 2.02 0.00 3.21 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 104 L 8.32 4.19 0.00 1.82 1.90 0.73 0.74 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 0.00 105 A 8.27 4.15 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 0.00 106 D 8.39 4.32 0.00 2.86 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 0.00 107 I 8.00 3.73 2.13 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 1.50 0.58 0.62 0.00 0.00 108 F 8.34 4.41 0.00 3.28 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 0.00 109 R 7.89 3.77 0.00 1.97 2.00 0.00 3.31 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.69 0.00 110 G 8.06 4.04 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 0.00 0.00 0.00 111 N 8.86 5.17 0.00 2.53 2.61 0.00 0.00 7.49 7.25 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 0.00 112 I 8.35 4.37 1.67 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.26 0.75 0.00 0.00 113 I 8.74 4.52 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.67 0.88 0.00 0.00 114 D 7.85 4.86 0.00 2.80 2.53 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 0.00 115 V 8.38 5.15 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 0.83 0.00 0.00 1.10 0.00 0.00 116 T 8.61 4.73 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 1.22 0.00 0.00 117 N 8.79 4.32 0.00 2.71 2.92 0.00 0.00 6.63 7.66 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 0.00 118 E 8.71 4.88 0.00 1.83 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 2.17 2.21 0.00 119 L 7.79 5.14 0.00 1.92 1.65 0.96 0.73 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 0.00 120 Y 8.83 5.50 0.00 2.90 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 0.00 121 T 8.96 5.01 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 1.22 0.00 0.00 122 I 8.85 4.77 1.81 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.86 0.72 0.00 0.00 123 E 9.29 4.80 0.00 1.95 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 2.16 2.22 0.00 124 L 8.28 5.05 0.00 1.36 1.31 -0.43 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 125 T 8.35 5.28 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 1.28 0.00 0.00 126 G 7.98 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 0.00 0.00 0.00 127 T 7.82 4.67 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 1.22 0.00 0.00 128 R 9.26 3.92 0.00 1.92 2.04 0.00 3.09 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.70 0.00 129 S 8.07 4.28 0.00 4.14 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 0.00 130 K 7.84 4.11 0.00 1.97 1.95 0.00 1.74 0.00 0.00 1.93 0.00 0.00 3.06 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.75 1.59 7.81 131 L 7.90 4.05 0.00 1.97 1.71 1.01 1.13 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 0.00 132 D 8.74 4.53 0.00 2.94 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 0.00 133 G 8.59 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 0.00 0.00 0.00 134 F 8.09 2.79 0.00 2.30 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 0.00 135 L 7.65 3.94 0.00 1.80 1.70 0.94 1.10 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 0.00 136 Q 8.13 4.08 0.00 2.40 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.01 0.00 0.00 0.00 0.00 0.00 2.40 2.25 0.00 137 A 7.59 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 0.00 138 V 6.69 3.56 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 0.68 0.00 0.00 0.06 0.00 0.00 139 D 8.40 4.50 0.00 2.71 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 0.00 140 C 8.93 4.09 0.00 3.09 3.18 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 0.00 141 N 8.15 4.54 0.00 2.84 3.00 0.00 0.00 6.05 7.79 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 0.00 142 L 7.85 4.08 0.00 1.90 1.76 0.91 0.60 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 0.00 143 I 7.95 4.31 2.00 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 1.34 0.47 0.96 0.00 0.00 144 L 9.12 4.38 0.00 1.60 1.72 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 145 E 7.78 4.80 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 2.23 2.30 0.00 146 I 8.20 5.19 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.57 0.92 0.00 0.00 147 A 9.35 4.69 1.16 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 0.00 0.00 148 R 8.50 4.77 0.00 1.76 1.75 0.00 3.24 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 149 T 9.31 4.03 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 1.20 0.00 0.00 150 G 8.10 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 0.00 151 V 8.22 3.92 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 0.83 0.00 0.00 1.00 0.00 0.00 152 S 9.27 4.73 0.00 3.88 3.65 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 0.00 153 G 8.71 4.69 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 0.00 154 L 8.73 5.08 0.00 1.60 1.53 0.94 0.91 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 0.00 155 S 8.72 4.81 0.00 3.96 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 0.00 156 R 8.56 3.95 0.00 1.70 1.85 0.00 3.19 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 157 G 8.70 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 0.00 158 E 8.77 4.05 0.00 1.97 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 2.32 2.24 0.00 159 R 7.29 3.97 0.00 1.98 1.87 0.00 3.22 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 160 V 8.05 4.56 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 0.86 0.00 0.00 0.94 0.00 0.00 161 L 8.63 4.05 0.00 1.59 1.70 0.95 0.62 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 0.00 162 K 8.06 4.10 0.00 1.90 1.94 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.47 7.81 163 L 7.31 4.28 0.00 1.76 1.60 0.92 0.79 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 * Residues marked with a * may have inaccurate shift predictions.