NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.7130 8.0600 120.9385 56.5148 32.3785 174.7991 3 F 2.3587 7.6661 120.4397 56.8982 39.1947 171.7442 4 K 4.1119 7.3010 128.6597 57.2093 34.2836 175.2099 5 A 4.1459 5.9743 117.8840 50.9032 22.5257 174.5825 6 E 4.7074 8.8240 121.0957 55.5787 29.8394 176.3427 7 L 4.2775 9.0194 127.8914 56.3323 42.3395 176.5623 *9 N 4.4878 7.9894 115.2813 51.9790 38.4856 174.1279 10 A 4.1999 8.8260 120.8293 55.2100 18.6053 177.2252 11 P 4.4303 0.0000 0.0000 66.0211 31.6590 179.7183 12 E 4.1354 8.8367 114.9832 57.0856 29.0325 178.8992 *14 R 4.4233 8.1446 120.9513 56.5626 32.0974 177.3781 15 R 3.8846 8.2610 117.1681 59.4490 29.9124 178.3030 16 A 4.0456 8.1132 120.4152 55.3475 18.3946 179.6591 17 L 4.0459 8.1032 116.9249 58.0920 41.6232 179.3109 18 Y 3.7904 8.3226 116.9921 60.8164 37.7876 178.1734 19 R 3.9462 8.1385 119.6504 59.4370 30.1444 178.4338 20 I 3.5853 8.1065 119.5987 64.3875 37.1575 177.8277 21 A 3.9128 8.0928 121.4107 55.7381 18.1780 179.2798 22 H 4.0972 8.4120 114.2652 59.2927 28.8004 177.7648 23 E 4.2077 8.7161 120.4529 59.5967 29.1918 179.7251 24 I 2.8364 7.5184 119.8894 64.0290 37.1442 178.5574 25 V 3.5193 7.5466 118.8646 66.1134 31.5137 177.6417 26 E 3.9719 8.6261 118.4540 59.6062 29.1044 179.3737 27 A 4.1441 8.0190 119.5629 54.9069 18.5934 178.3025 28 N 4.6765 8.0675 112.3772 52.7378 39.1511 174.7490 29 K 3.8628 8.2835 116.3075 55.9511 30.7140 176.0798 30 G 3.7427 6.6448 106.2128 45.4050 0.0000 173.6309 31 T 4.2818 8.0978 115.3777 63.0249 69.6978 174.0011 32 E 3.9640 8.2787 122.6833 57.7639 29.8887 176.1803 33 G 3.9656 8.8402 112.5108 46.1783 0.0000 171.9633 34 L 4.8146 7.7741 120.5831 54.6073 43.0449 176.0159 35 A 4.5774 8.6639 124.9043 50.9164 22.9997 175.1185 36 L 5.1924 8.7225 120.7105 53.0536 45.2859 176.0172 37 V 4.9368 8.8630 121.5774 61.2917 34.6940 174.5648 38 G 4.3538 9.1119 116.4709 45.6008 0.0000 172.3451 39 I 5.3359 8.2104 115.9186 57.6824 41.9061 173.9596 40 H 4.4616 9.5808 117.5272 56.3897 27.7297 173.6090 41 T 3.6786 7.2962 113.3648 64.8845 67.2360 173.7340 42 R 4.3260 7.8079 122.1917 57.9071 30.7381 178.7190 43 G 3.9905 7.8813 107.8113 46.9432 0.0000 175.8196 44 I 3.6575 7.5713 121.6987 64.0272 37.2045 176.5681 45 P 4.3128 0.0000 0.0000 65.7305 31.1222 178.7115 46 L 3.9697 7.7420 117.3876 57.4498 41.4194 179.3784 47 A 3.8812 8.0722 120.9027 55.5818 18.3022 179.1873 48 H 4.0304 7.9478 114.6311 59.2248 28.6776 178.2671 49 R 3.3995 7.8220 119.5287 59.1390 29.8300 179.1290 50 I 3.4311 7.6256 119.4145 64.1789 37.0284 178.4129 51 A 3.7967 8.1327 122.0390 54.8903 18.2539 179.5438 52 R 3.7035 7.8070 117.5555 59.6962 29.8756 178.8285 53 F 4.3668 7.7611 117.7805 60.4251 38.7903 177.7068 54 I 2.4694 7.6206 119.2520 64.0698 36.8748 178.3587 55 A 4.2758 7.6939 122.6535 54.5174 17.8749 179.2628 56 E 3.9887 7.7658 117.3202 58.2860 29.7468 177.3790 57 F 5.0265 7.0514 110.3060 56.1059 38.6955 174.9003 58 E 4.4281 8.2969 121.6316 55.6064 30.8629 175.7682 59 G 4.2860 7.6025 115.1950 45.0247 0.0000 173.8407 60 K 4.0562 7.5610 117.2332 55.9005 33.6260 175.5442 61 E 4.4957 8.3328 120.6107 54.6398 31.0573 175.1780 62 V 4.2054 7.8262 124.4946 60.2134 33.3719 173.6584 63 P 4.4044 0.0000 0.0000 62.6357 32.6106 175.3264 64 V 4.7041 8.4700 122.9944 61.2961 33.5762 175.2019 65 G 4.2024 9.9311 116.8126 45.0947 0.0000 171.9696 66 V 4.8148 8.8958 119.7414 60.7119 34.7440 175.0113 67 L 4.4748 8.5921 128.5169 53.8252 42.3972 175.0555 68 D 4.9361 8.7928 122.6070 53.7913 39.5249 173.7155 69 I 4.8965 7.8101 122.3407 59.2175 41.0232 173.8657 70 T 4.9256 9.5369 124.7994 62.1282 73.4371 172.4705 71 L 4.8558 8.4181 124.0267 52.2319 43.5334 175.6117 *83 P 4.2233 0.0000 0.0000 62.4382 32.1773 175.3865 84 Q 4.6324 9.3025 121.8820 54.0116 32.6798 174.1834 85 V 5.5234 7.9069 120.9346 60.5496 34.3006 175.5720 86 R 4.1162 8.7559 126.4280 58.9809 30.8111 176.5270 87 E 4.6884 7.5997 115.5203 55.4651 33.1441 174.2952 88 T 4.9463 8.6623 123.1728 61.8995 71.3351 173.7952 89 R 4.3436 9.1421 125.9153 54.7081 33.7644 174.2810 90 I 4.2053 7.9660 125.4495 57.7127 38.5102 175.3364 91 P 4.5882 0.0000 0.0000 61.8182 30.6938 175.9578 92 F 4.7984 7.2914 112.7501 55.9082 40.7673 172.6732 93 D 4.6917 8.6799 120.9249 53.1677 41.5636 176.2072 94 L 4.3372 8.6063 127.0976 57.6533 42.1206 177.6368 95 T 4.0836 7.8981 115.5743 65.1284 68.6098 175.0125 96 G 3.9719 8.9405 113.7186 45.8458 0.0000 173.8365 97 K 4.4657 7.7639 119.2329 55.8203 34.3827 176.1297 98 A 5.0527 9.0347 124.4639 51.0676 20.1782 175.9942 99 I 4.9065 8.7655 123.4832 60.6270 39.5965 175.3749 100 V 4.9371 8.9090 127.8918 61.0401 33.4603 174.6190 101 L 4.6735 8.9130 129.6287 54.6776 43.0039 176.2797 102 V 4.8916 9.1091 124.4447 61.2006 33.7561 173.8344 103 D 5.3175 9.1324 127.4173 52.5060 44.5140 175.9967 104 D 4.4755 8.9068 123.9816 55.9378 40.9905 176.3296 105 V 4.8861 7.7659 117.7952 60.7782 34.6756 174.1246 106 L 4.4241 9.0529 130.8552 55.2977 43.1978 174.1988 107 Y 4.7295 8.9449 125.4289 58.1559 39.1376 177.2483 108 T 4.3288 8.2400 114.0984 62.1669 69.9988 176.8508 109 G 3.9887 7.7841 111.7956 45.7811 0.0000 175.7345 110 R 3.8815 7.7513 118.8364 59.3440 29.8919 179.0839 111 T 3.8147 7.8093 114.9219 66.4956 68.5677 176.2332 112 A 3.9868 7.9995 122.1781 55.3774 18.3005 179.3874 113 R 3.8140 8.2886 117.0561 59.5947 30.1431 178.5269 114 A 3.9637 8.2165 120.3197 55.0510 18.2787 179.5110 115 A 3.9386 8.1891 119.3641 55.1777 18.6008 179.5364 116 L 3.8734 8.3176 119.3464 58.2150 42.0867 178.6272 117 D 4.2667 8.4442 118.0170 57.3647 40.9936 177.9545 118 A 3.9811 7.7536 119.6252 55.1999 18.6419 179.1482 119 L 4.0785 8.0783 117.3942 58.3374 41.7444 179.9893 120 I 4.1872 7.5668 120.2844 63.7549 36.7738 177.7623 121 D 4.4459 7.7566 117.6059 55.7399 40.8606 177.3640 122 L 4.6505 7.9077 118.4780 53.8200 43.0671 175.6583 123 G 3.8929 6.5659 104.7444 46.5324 0.0000 172.6938 124 R 4.9407 7.5690 117.0863 52.9398 30.4538 174.0895 125 P 4.7794 0.0000 0.0000 62.4982 31.9294 176.2586 126 R 4.0968 8.9499 123.3969 59.5779 30.6227 176.4579 127 R 4.5878 7.6214 116.3614 55.3467 33.8529 173.9023 128 I 5.0445 7.8836 122.7793 60.1154 40.5095 174.7172 129 Y 4.8215 9.4936 125.3676 56.6108 41.0964 174.6078 130 L 5.2540 9.3265 121.8057 53.5832 45.1369 174.7347 131 A 5.5055 9.4614 128.8698 50.4005 21.8500 175.4085 132 V 5.5232 8.8208 114.3848 58.7399 36.1230 176.3379 133 L 4.0670 8.9183 126.7834 57.9446 42.9953 176.9331 134 V 5.0443 8.2949 111.3512 59.4904 36.2365 174.0149 135 D 5.2077 8.8517 124.3765 52.3886 43.0125 175.7257 136 R 5.3476 8.1019 122.9057 55.0973 30.3444 178.5554 137 G 3.8558 8.9577 110.1446 46.9096 0.0000 172.7950 138 H 4.0861 8.5460 110.6110 56.8352 25.2498 175.4601 139 R 4.4319 8.0130 116.6857 56.8108 30.5718 176.8495 140 E 4.6807 8.8619 117.9881 55.8033 31.4005 175.6472 141 L 4.8336 7.3453 117.2673 52.5827 45.7690 174.2500 142 P 4.6007 0.0000 0.0000 62.9596 31.0456 176.7322 143 I 4.4145 7.5136 117.9303 60.3510 38.7814 175.5791 144 R 4.6270 7.9817 120.2118 54.7697 34.1004 174.4495 145 A 4.5531 8.2721 123.0755 51.5431 19.8909 177.6248 146 D 4.3509 8.7687 123.1228 56.3154 41.6831 177.1917 147 F 5.0922 7.8490 116.1547 55.5348 42.8008 174.5424 148 V 4.7743 8.5301 122.1468 61.3448 33.8447 175.2192 149 G 3.8643 9.4118 116.6148 48.8661 0.0000 173.7309 150 K 4.7460 8.3141 122.1225 54.6324 36.2474 173.9748 151 N 5.0794 8.8129 124.8386 52.4857 39.8787 174.6757 152 V 4.2722 8.6511 124.4840 60.2035 33.8260 172.7592 153 P 4.8308 0.0000 0.0000 62.7705 31.6748 176.1588 154 T 4.8899 8.5043 113.6825 59.8430 72.3454 172.7845 155 S 4.9093 8.7153 115.8159 56.1992 65.2515 175.2694 156 R 3.8294 8.8013 121.0738 59.6551 29.3712 178.4890 157 S 4.2842 7.6801 112.2858 60.6789 63.4645 174.1229 158 E 4.6765 7.6826 120.0205 56.4260 30.4085 176.6262 159 V 4.3769 8.7662 120.1458 61.4413 35.3871 173.6761 160 V 4.8087 8.3138 126.9411 61.2204 33.3829 174.6541 161 K 4.5568 9.2252 127.5992 54.6477 34.6192 175.0375 162 V 4.7401 8.4615 125.3167 61.1878 33.2040 174.7938 163 K 5.0131 9.6748 128.0620 54.7761 35.0735 175.6476 164 V 4.8288 9.3092 117.0429 59.0591 35.6107 176.0529 165 E 4.0949 9.7868 125.1041 60.2077 29.1968 179.8876 166 E 3.9496 8.2044 117.6231 58.9637 29.5672 178.6858 167 V 4.2547 7.6313 115.5668 63.2448 33.3769 176.0413 168 D 4.8827 9.0537 117.0251 53.1419 41.4864 177.7961 169 G 4.0013 9.4397 107.8396 45.3953 0.0000 173.0920 170 E 4.9718 7.3925 117.9018 55.8204 33.2001 174.4701 171 D 5.0194 8.6700 126.4155 53.8200 41.5356 175.6398 172 R 4.6309 8.9862 122.9701 55.2465 34.4805 173.5591 173 V 4.8878 8.4584 124.1864 61.3049 34.1581 173.9077 174 E 5.3103 9.6158 127.6721 54.5431 33.1005 174.5774 175 L 5.1020 8.7059 125.0801 53.2888 44.3973 175.3830 176 W 5.1089 9.4070 125.3192 55.1606 33.4541 173.6864 177 E 4.9383 9.3983 120.3848 55.3086 33.0812 175.1200 178 R 4.2557 7.9466 124.7743 56.4735 30.2337 175.5352 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 R 8.06 4.71 0.00 2.08 2.41 0.00 3.84 0.00 0.00 3.70 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.78 0.00 3 F 7.67 2.36 0.00 1.53 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 0.00 0.00 0.00 0.00 4 K 7.30 4.11 0.00 1.48 1.55 0.00 1.87 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.15 1.18 7.81 5 A 5.97 4.15 1.03 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 6 E 8.82 4.71 0.00 2.19 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 2.32 2.43 0.00 7 L 9.02 4.28 0.00 1.70 1.72 0.96 0.88 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 *9 N 7.99 4.49 0.00 2.87 3.16 0.00 0.00 6.00 7.26 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 10 A 8.83 4.20 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 11 P 0.00 4.43 0.00 2.29 2.12 0.00 3.93 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 12 E 8.84 4.14 0.00 2.18 1.99 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 2.35 2.60 0.00 *14 R 8.14 4.42 0.00 1.98 2.16 0.00 3.26 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 15 R 8.26 3.88 0.00 2.06 2.12 0.00 3.16 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 1.64 1.62 0.00 16 A 8.11 4.05 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 17 L 8.10 4.05 0.00 2.19 2.01 1.04 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 8.32 3.79 0.00 3.26 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.14 3.95 0.00 1.97 2.14 0.00 3.15 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.71 0.00 20 I 8.11 3.59 2.05 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.84 0.83 0.00 0.00 21 A 8.09 3.91 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.41 4.10 0.00 3.28 3.25 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.72 4.21 0.00 1.94 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 0.00 2.41 2.61 0.00 24 I 7.52 2.84 1.71 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 -0.10 0.59 0.00 0.00 25 V 7.55 3.52 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 1.11 0.00 0.00 1.03 0.00 0.00 26 E 8.63 3.97 0.00 2.19 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 2.35 2.52 0.00 27 A 8.02 4.14 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.07 4.68 0.00 2.70 2.98 0.00 0.00 7.35 6.39 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 29 K 8.28 3.86 0.00 1.99 1.88 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.43 1.55 7.81 30 G 6.64 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.10 4.28 4.20 0.00 0.00 0.00 0.00 0.00 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 32 E 8.28 3.96 0.00 1.92 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 2.30 2.28 0.00 33 G 8.84 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 34 L 7.77 4.81 0.00 1.82 1.61 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.66 4.58 0.69 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 36 L 8.72 5.19 0.00 1.56 1.54 0.85 0.56 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 37 V 8.86 4.94 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.08 0.00 0.00 38 G 9.11 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 39 I 8.21 5.34 1.90 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 1.36 1.66 0.97 0.00 0.00 40 H 9.58 4.46 0.00 3.21 3.46 0.00 5.69 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.30 3.68 4.16 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 1.18 0.00 0.00 42 R 7.81 4.33 0.00 1.85 1.97 0.00 3.11 0.00 0.00 3.37 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 43 G 7.88 3.99 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 0.00 0.00 0.00 44 I 7.57 3.66 2.00 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 1.53 0.42 0.94 0.00 0.00 45 P 0.00 4.31 0.00 2.16 2.11 0.00 3.72 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 46 L 7.74 3.97 0.00 1.84 1.71 1.00 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 A 8.07 3.88 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 48 H 7.95 4.03 0.00 3.32 3.27 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 7.82 3.40 0.00 1.75 1.31 0.00 3.11 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.81 0.00 50 I 7.63 3.43 1.89 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 1.41 0.68 0.79 0.00 0.00 51 A 8.13 3.80 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 52 R 7.81 3.70 0.00 1.77 1.61 0.00 3.22 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 53 F 7.76 4.37 0.00 2.81 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 54 I 7.62 2.47 1.74 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.99 0.61 0.00 0.00 55 A 7.69 4.28 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 56 E 7.77 3.99 0.00 2.29 2.32 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 2.48 2.43 0.00 57 F 7.05 5.03 0.00 3.12 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 4.43 0.00 1.61 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 2.13 2.21 0.00 59 G 7.60 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 0.00 0.00 0.00 0.00 60 K 7.56 4.06 0.00 1.86 1.92 0.00 1.48 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.33 7.81 61 E 8.33 4.50 0.00 1.88 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 2.15 2.21 0.00 62 V 7.83 4.21 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 0.78 0.00 0.00 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1.57 0.95 1.06 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 *83 P 0.00 4.22 0.00 2.06 2.06 0.00 3.61 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.07 0.00 84 Q 9.30 4.63 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 85 V 7.91 5.52 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.93 0.00 0.00 86 R 8.76 4.12 0.00 1.84 1.96 0.00 3.29 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 87 E 7.60 4.69 0.00 1.99 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 88 T 8.66 4.95 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 1.21 0.00 0.00 89 R 9.14 4.34 0.00 1.65 1.77 0.00 3.05 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 1.51 1.64 0.00 90 I 7.97 4.21 1.58 0.00 0.00 0.74 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 0.71 0.04 0.00 0.00 91 P 0.00 4.59 0.00 2.18 2.10 0.00 3.62 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 92 F 7.29 4.80 0.00 3.05 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 93 D 8.68 4.69 0.00 2.72 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 94 L 8.61 4.34 0.00 1.79 1.78 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.90 4.08 4.40 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 1.23 0.00 0.00 96 G 8.94 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 97 K 7.76 4.47 0.00 1.94 1.89 0.00 1.76 0.00 0.00 1.49 0.00 0.00 2.84 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.67 7.81 98 A 9.03 5.05 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 99 I 8.77 4.91 1.97 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.99 1.03 0.00 0.00 100 V 8.91 4.94 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 1.19 0.00 0.00 0.95 0.00 0.00 101 L 8.91 4.67 0.00 1.85 1.64 0.96 0.52 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 0.00 102 V 9.11 4.89 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 1.01 0.00 0.00 0.94 0.00 0.00 103 D 9.13 5.32 0.00 2.82 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 0.00 0.00 0.00 0.00 104 D 8.91 4.48 0.00 2.80 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 0.00 105 V 7.77 4.89 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 0.80 0.00 0.00 0.96 0.00 0.00 106 L 9.05 4.42 0.00 1.84 1.58 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.94 4.73 0.00 2.98 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 0.00 0.00 0.00 0.00 108 T 8.24 4.33 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 0.50 0.00 0.00 109 G 7.78 3.99 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 0.00 0.00 0.00 110 R 7.75 3.88 0.00 1.85 1.96 0.00 3.04 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 111 T 7.81 3.81 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 1.15 0.00 0.00 112 A 8.00 3.99 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 0.00 113 R 8.29 3.81 0.00 1.92 2.09 0.00 3.25 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 114 A 8.22 3.96 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 0.00 115 A 8.19 3.94 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 0.00 116 L 8.32 3.87 0.00 1.89 1.88 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.44 4.27 0.00 3.04 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 0.00 118 A 7.75 3.98 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 0.00 119 L 8.08 4.08 0.00 1.88 1.76 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 120 I 7.57 4.19 2.00 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 1.54 1.82 0.91 0.00 0.00 121 D 7.76 4.45 0.00 2.78 2.71 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 0.00 122 L 7.91 4.65 0.00 1.69 1.66 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 123 G 6.57 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 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0.00 0.00 0.00 132 V 8.82 5.52 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 0.90 0.00 0.00 0.99 0.00 0.00 133 L 8.92 4.07 0.00 1.82 1.96 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 134 V 8.29 5.04 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 0.75 0.00 0.00 0.95 0.00 0.00 135 D 8.85 5.21 0.00 2.84 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 R 8.10 5.35 0.00 1.82 1.95 0.00 2.90 0.00 0.00 2.25 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.42 0.00 137 G 8.96 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 138 H 8.55 4.09 0.00 3.73 3.56 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.01 4.43 0.00 1.80 2.05 0.00 3.44 0.00 0.00 3.42 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 140 E 8.86 4.68 0.00 1.93 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 2.14 0.00 141 L 7.35 4.83 0.00 1.55 1.48 0.90 1.04 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 0.00 142 P 0.00 4.60 0.00 2.02 2.05 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 143 I 7.51 4.41 1.87 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 1.40 0.94 0.91 0.00 0.00 144 R 7.98 4.63 0.00 1.72 1.75 0.00 3.36 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 145 A 8.27 4.55 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 0.00 146 D 8.77 4.35 0.00 2.05 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 0.00 0.00 0.00 147 F 7.85 5.09 0.00 3.00 2.90 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 0.00 148 V 8.53 4.77 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 0.92 0.00 0.00 0.97 0.00 0.00 149 G 9.41 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 150 K 8.31 4.75 0.00 1.85 1.63 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.36 1.45 7.81 151 N 8.81 5.08 0.00 2.66 2.76 0.00 0.00 6.73 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 V 8.65 4.27 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 0.98 0.00 0.00 0.95 0.00 0.00 153 P 0.00 4.83 0.00 1.98 1.98 0.00 3.67 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 154 T 8.50 4.89 4.30 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 1.28 0.00 0.00 155 S 8.72 4.91 0.00 4.03 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 0.00 156 R 8.80 3.83 0.00 1.83 2.07 0.00 3.22 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 157 S 7.68 4.28 0.00 4.21 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 0.00 158 E 7.68 4.68 0.00 1.99 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 0.00 2.38 2.32 0.00 159 V 8.77 4.38 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 0.70 0.00 0.00 0.93 0.00 0.00 160 V 8.31 4.81 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 0.88 0.00 0.00 0.89 0.00 0.00 161 K 9.23 4.56 0.00 1.78 1.66 0.00 0.61 0.00 0.00 1.13 0.00 0.00 2.31 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.13 1.05 7.81 162 V 8.46 4.74 2.25 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 0.83 0.00 0.00 0.97 0.00 0.00 163 K 9.67 5.01 0.00 1.85 1.85 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.44 7.81 164 V 9.31 4.83 2.25 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 0.84 0.00 0.00 0.94 0.00 0.00 165 E 9.79 4.09 0.00 1.96 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 0.00 2.37 2.58 0.00 166 E 8.20 3.95 0.00 1.91 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 2.31 2.45 0.00 167 V 7.63 4.25 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 0.90 0.00 0.00 0.93 0.00 0.00 168 D 9.05 4.88 0.00 2.61 2.65 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 0.00 169 G 9.44 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 0.00 170 E 7.39 4.97 0.00 1.91 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 0.00 2.27 2.15 0.00 171 D 8.67 5.02 0.00 2.64 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 0.00 172 R 8.99 4.63 0.00 1.86 1.78 0.00 3.48 0.00 0.00 3.31 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 173 V 8.46 4.89 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 1.09 0.00 0.00 0.99 0.00 0.00 174 E 9.62 5.31 0.00 2.44 2.30 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 2.62 2.48 0.00 175 L 8.71 5.10 0.00 1.63 1.41 0.97 0.95 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 0.00 176 W 9.41 5.11 0.00 3.30 3.15 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 0.00 177 E 9.40 4.94 0.00 1.97 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 2.22 2.27 0.00 178 R 7.95 4.26 0.00 2.02 1.78 0.00 3.55 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 * Residues marked with a * may have inaccurate shift predictions.