NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.3405 8.1749 117.3747 63.2975 70.7588 174.4422 5 L 4.0261 7.7413 120.8146 54.4523 42.3846 174.3713 6 R 4.6437 8.5372 120.3982 55.0230 36.4496 173.6388 7 V 4.5951 7.9404 119.7537 59.8876 33.5727 175.1506 8 V 4.3084 8.9503 125.6384 60.2316 33.5651 172.9042 9 P 4.6829 0.0000 0.0000 62.4113 32.3889 175.4748 10 E 4.4959 9.1174 125.0342 54.3237 32.1435 174.3178 11 L 5.0763 8.0660 126.3833 52.8949 44.4922 175.1564 12 Y 4.6391 8.6977 125.8180 57.6437 39.5967 174.4226 13 C 4.3200 7.4412 122.9030 57.6488 31.4274 175.1934 14 F 3.9410 8.5796 122.4045 59.9365 38.9422 175.5417 15 D 4.6433 7.7717 121.0729 51.6188 43.3451 175.2722 16 I 3.5608 8.2429 128.0324 64.2375 37.9711 177.2656 17 N 4.3265 8.1626 116.9227 56.0962 38.4520 177.4170 18 V 3.6184 8.0336 119.7045 66.1777 31.6900 178.3618 19 S 4.2274 8.1004 114.9577 61.5274 62.5514 176.4364 20 Q 3.9104 8.2165 122.3324 59.4087 28.8485 178.5476 21 S 4.1384 8.2081 116.1652 61.3463 62.7953 176.5390 22 F 3.9927 8.3215 123.4210 61.3734 39.1587 177.2469 23 F 3.5555 8.5467 117.4157 60.3060 38.6965 177.9038 24 V 3.9545 8.0818 119.3883 65.5803 31.2531 177.9072 25 D 4.2472 8.1829 117.5830 57.4439 40.8740 178.2356 26 V 3.5081 7.1685 117.5039 65.3735 31.5102 176.8979 27 L 4.1911 7.4526 116.5540 54.4715 42.2313 177.4074 28 G 3.8812 8.0085 105.9575 45.8118 0.0000 173.6990 29 F 4.4803 8.8444 118.8361 57.1925 40.6328 174.0257 30 E 4.8339 9.0579 119.7952 54.4886 32.6256 175.7417 31 V 3.9671 8.4287 124.2942 62.9309 31.6643 175.4404 32 K 4.4499 9.3356 130.7229 59.0698 32.9490 175.8202 33 Y 4.8665 7.2738 115.0867 56.7031 40.9982 172.4830 34 E 5.1556 8.8433 118.5534 55.3952 34.4669 176.6650 35 R 4.6998 9.0767 118.1104 54.0623 31.2497 174.2986 36 P 4.2313 0.0000 0.0000 65.6397 31.7722 178.2970 37 D 4.5472 8.1640 113.7961 54.9202 39.2475 176.2081 38 E 4.5497 8.1249 118.2692 55.3950 30.5142 175.4135 39 E 3.7955 8.3388 118.4665 57.4688 27.8865 173.2993 40 F 5.1320 8.0847 119.4476 56.5238 42.0874 174.2384 41 V 4.2935 7.5009 124.8126 61.0707 34.8243 173.6055 42 Y 3.9377 8.3766 128.9810 55.7217 40.6391 174.4135 43 L 5.3222 8.1992 126.3410 53.4822 45.9261 175.1940 44 T 5.0338 8.6453 113.2245 61.0349 71.7011 172.4589 45 L 4.2791 8.3769 128.3898 52.8989 44.2227 175.9083 46 D 4.5260 9.7228 128.6418 55.1842 38.4297 175.2924 47 G 3.9172 8.0395 107.8903 44.9925 0.0000 174.2607 48 V 4.0778 7.5497 120.1729 61.5267 32.1530 174.6051 49 D 5.3172 8.4459 127.1544 53.2548 43.0940 176.5242 50 V 4.0068 7.6176 119.4589 60.8916 34.8426 172.7964 *52 L 4.1934 8.4600 118.2290 55.0678 43.4306 175.6922 53 E 4.8144 9.0076 123.8653 54.4630 32.9569 174.7132 54 G 4.0579 8.8257 115.6528 44.0615 0.0000 172.8035 *67 L 4.2352 8.2059 125.8804 54.2062 42.2614 176.8042 68 E 4.7202 8.3743 122.3161 54.1189 33.5303 175.3856 69 F 4.0770 8.9133 125.7710 57.7329 40.0515 172.5412 70 P 3.6585 0.0000 0.0000 61.2765 32.3263 175.7025 71 L 4.1086 7.9327 121.8922 54.8659 42.8206 176.7928 72 G 4.0598 8.6758 105.5897 46.2128 0.0000 173.5808 73 S 4.0901 7.9237 113.3832 59.8758 63.0436 174.8704 74 G 3.8767 8.9669 111.8521 44.8210 0.0000 172.4086 75 V 4.5305 7.3168 119.4812 60.9531 33.6013 174.5451 76 N 4.7083 8.4201 125.3336 51.7688 42.2072 173.0687 77 F 4.7075 8.4256 126.1439 56.3648 40.1148 175.3256 78 Q 4.6931 9.0114 127.6775 55.3495 29.7112 174.4228 79 W 4.8844 9.1030 135.0000 55.4496 32.7315 174.5947 80 D 5.1990 8.7468 128.5626 54.5590 40.7325 176.4988 81 V 4.7354 8.9569 116.5607 59.8406 34.7177 176.2476 82 I 3.9678 8.6088 123.4209 63.8080 37.1448 176.2002 83 D 4.8083 7.6701 120.6757 51.3168 41.6780 174.9853 84 I 3.6720 9.3757 126.5442 63.3884 38.1124 176.9990 85 E 4.0344 8.3043 119.5664 59.0632 29.3814 177.4626 86 P 4.3031 0.0000 0.0000 65.5278 31.3342 178.1412 87 L 3.8543 7.5240 119.9118 58.2671 42.2206 178.2694 88 Y 3.4849 8.3687 120.0899 60.5388 38.6803 178.0860 89 Q 3.8772 8.1569 118.5928 59.1165 28.5274 178.6040 90 R 3.7982 7.7261 120.3621 59.0417 30.0297 178.6465 91 V 3.4768 7.5486 118.1686 65.9987 31.3191 177.5987 92 N 4.0009 7.6389 115.8306 56.2056 38.6731 176.5964 93 E 4.0490 7.6375 119.6120 58.9639 29.9463 178.5250 94 S 4.5642 7.9733 110.7149 58.4491 64.6369 174.5353 95 A 4.5364 8.2782 126.4382 50.2191 19.8385 177.7664 96 A 3.9453 8.1602 126.9714 56.0323 18.8587 179.9603 97 D 4.5933 8.0311 113.1428 56.3017 41.1046 177.0695 98 S 4.5885 8.3218 115.5725 58.8889 63.5226 173.9838 99 I 4.3708 7.6628 122.9043 61.4320 37.2373 175.0215 100 Y 4.4761 8.9940 126.2034 58.5310 39.7136 175.4796 101 L 4.6637 7.9761 119.8700 52.9090 45.0018 175.3817 102 A 4.5445 8.5598 127.3857 50.8254 19.4038 176.6190 103 L 4.0590 7.6202 121.7327 55.8837 42.4707 176.2001 104 E 4.7164 8.9739 122.2246 55.2857 33.5802 174.1759 105 S 4.8917 8.5880 117.5442 57.1885 64.4081 173.5067 106 K 4.4793 8.8406 125.6160 54.8490 33.8255 176.1740 107 S 4.8903 8.2397 119.3413 56.9528 66.8511 172.7690 108 Y 4.9415 8.4167 118.2768 56.3148 42.7862 174.8357 109 Q 4.2274 8.6910 120.8477 55.5459 29.1051 176.0417 *114 I 3.9512 8.1913 123.2081 61.0455 38.4005 174.6340 115 A 4.7731 8.7851 127.6673 50.6629 20.9813 175.7147 116 T 4.9976 8.4662 118.5416 61.7667 72.7559 173.0339 117 Q 4.8649 9.0710 125.5347 54.5784 32.5289 174.0013 118 K 4.9842 9.0368 126.6603 56.1930 33.9350 175.9277 119 Q 5.6825 9.2622 120.2992 56.7040 32.3395 173.2498 120 F 4.9621 8.1634 114.7941 56.2518 41.4968 173.0431 *122 V 4.5836 8.3845 116.4151 62.2053 33.2051 174.2466 123 Q 5.2631 8.8762 124.0531 54.6176 30.7531 175.6929 124 T 4.3941 8.9563 116.8642 60.2162 70.0538 173.6568 125 P 4.2854 0.0000 0.0000 65.9394 31.4307 177.6772 126 D 4.6238 7.9309 116.3115 54.8429 41.0119 177.6416 127 G 3.7519 8.1865 106.3890 45.0500 0.0000 173.9589 128 Y 4.4390 7.8077 118.3218 58.2295 39.4707 174.7658 129 L 5.1249 8.6808 123.1195 53.2194 44.0367 175.1624 130 F 4.9714 9.1610 123.0694 55.5542 41.4974 175.2987 131 R 4.4427 8.9200 124.8538 54.4752 31.3454 174.3999 132 F 5.0647 8.2332 125.9566 57.4177 40.3561 174.6839 133 C 5.5805 9.6352 120.3630 58.1217 32.8156 172.8790 134 Q 4.8375 9.2095 123.0533 54.5451 31.7291 174.5032 135 D 4.8674 8.9564 126.0105 54.6179 42.4286 176.6336 136 I 3.5643 7.9266 119.7010 62.0981 37.6867 173.9023 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 4 T 8.17 4.34 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 1.23 0.00 0.00 5 L 7.74 4.03 0.00 1.69 1.56 0.98 0.58 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 6 R 8.54 4.64 0.00 1.67 1.69 0.00 3.19 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 7 V 7.94 4.60 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 0.48 0.00 0.00 1.17 0.00 0.00 8 V 8.95 4.31 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 0.85 0.00 0.00 1.00 0.00 0.00 9 P 0.00 4.68 0.00 1.89 1.81 0.00 3.65 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 2.08 2.24 0.00 10 E 9.12 4.50 0.00 1.94 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 2.16 2.24 0.00 11 L 8.07 5.08 0.00 1.38 1.37 0.82 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 8.70 4.64 0.00 2.82 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 13 C 7.44 4.32 0.00 2.47 2.49 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 14 F 8.58 3.94 0.00 3.01 3.06 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 15 D 7.77 4.64 0.00 2.67 2.51 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 16 I 8.24 3.56 1.76 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.96 0.87 0.00 0.00 17 N 8.16 4.33 0.00 2.98 2.84 0.00 0.00 6.79 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 18 V 8.03 3.62 2.23 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 1.04 0.00 0.00 1.02 0.00 0.00 19 S 8.10 4.23 0.00 3.82 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.22 3.91 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 21 S 8.21 4.14 0.00 4.11 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 22 F 8.32 3.99 0.00 3.27 3.29 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 23 F 8.55 3.56 0.00 3.12 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 24 V 8.08 3.95 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 1.06 0.00 0.00 25 D 8.18 4.25 0.00 2.69 2.66 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 26 V 7.17 3.51 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 0.27 0.00 0.00 0.63 0.00 0.00 27 L 7.45 4.19 0.00 1.88 1.92 0.30 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.01 3.88 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 0.00 0.00 0.00 29 F 8.84 4.48 0.00 3.16 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 30 E 9.06 4.83 0.00 1.90 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 2.21 2.20 0.00 31 V 8.43 3.97 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 0.73 0.00 0.00 0.92 0.00 0.00 32 K 9.34 4.45 0.00 1.93 2.15 0.00 2.07 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.84 1.54 7.81 33 Y 7.27 4.87 0.00 3.08 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 34 E 8.84 5.16 0.00 1.88 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 2.16 2.35 0.00 35 R 9.08 4.70 0.00 1.94 1.87 0.00 3.12 0.00 0.00 3.09 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 36 P 0.00 4.23 0.00 2.20 2.15 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.32 0.00 37 D 8.16 4.55 0.00 2.78 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 38 E 8.12 4.55 0.00 2.20 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 0.00 2.25 2.25 0.00 39 E 8.34 3.80 0.00 2.19 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 2.23 2.24 0.00 40 F 8.08 5.13 0.00 3.28 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 41 V 7.50 4.29 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 0.59 0.00 0.00 0.83 0.00 0.00 42 Y 8.38 3.94 0.00 2.16 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 0.00 0.00 0.00 43 L 8.20 5.32 0.00 1.55 1.76 0.54 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.65 5.03 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 1.25 0.00 0.00 45 L 8.38 4.28 0.00 0.27 0.82 0.53 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 46 D 9.72 4.53 0.00 2.74 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 47 G 8.04 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 48 V 7.55 4.08 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 1.05 0.00 0.00 0.89 0.00 0.00 49 D 8.45 5.32 0.00 2.70 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 0.00 0.00 0.00 0.00 50 V 7.62 4.01 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 0.65 0.00 0.00 0.65 0.00 0.00 *52 L 8.46 4.19 0.00 1.25 1.32 0.38 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 53 E 9.01 4.81 0.00 2.05 1.77 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 2.31 2.33 0.00 54 G 8.83 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 0.00 0.00 0.00 *67 L 8.21 4.24 0.00 1.71 1.74 0.97 0.95 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 68 E 8.37 4.72 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 2.24 2.31 0.00 69 F 8.91 4.08 0.00 2.97 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 70 P 0.00 3.66 0.00 1.62 0.61 0.00 3.59 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 71 L 7.93 4.11 0.00 0.80 1.43 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.68 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 0.00 0.00 0.00 73 S 7.92 4.09 0.00 3.90 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 74 G 8.97 3.88 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 0.00 0.00 0.00 75 V 7.32 4.53 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 -0.21 0.00 0.00 0.82 0.00 0.00 76 N 8.42 4.71 0.00 2.69 2.46 0.00 0.00 6.95 7.13 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 77 F 8.43 4.71 0.00 2.25 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 78 Q 9.01 4.69 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 79 W 9.10 4.88 0.00 3.52 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 80 D 8.75 5.20 0.00 2.67 2.66 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 81 V 8.96 4.74 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 1.03 0.00 0.00 1.16 0.00 0.00 82 I 8.61 3.97 1.93 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 1.35 0.55 0.95 0.00 0.00 83 D 7.67 4.81 0.00 2.64 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 9.38 3.67 2.02 0.00 0.00 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 1.88 1.76 1.08 0.00 0.00 85 E 8.30 4.03 0.00 2.05 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 2.44 2.35 0.00 86 P 0.00 4.30 0.00 2.26 2.32 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.04 0.00 87 L 7.52 3.85 0.00 1.73 1.99 0.71 0.19 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 88 Y 8.37 3.48 0.00 2.72 2.92 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 89 Q 8.16 3.88 0.00 2.26 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.54 2.37 0.00 90 R 7.73 3.80 0.00 1.83 2.01 0.00 3.05 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 91 V 7.55 3.48 1.92 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 1.06 0.00 0.00 1.01 0.00 0.00 92 N 7.64 4.00 0.00 2.11 2.48 0.00 0.00 7.32 8.47 0.00 0.00 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 E 7.64 4.05 0.00 2.15 1.92 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 2.27 2.33 0.00 94 S 7.97 4.56 0.00 3.96 3.93 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 95 A 8.28 4.54 1.25 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 0.00 0.00 96 A 8.16 3.95 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.03 4.59 0.00 2.70 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 98 S 8.32 4.59 0.00 4.12 4.11 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 99 I 7.66 4.37 2.07 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.59 1.23 0.00 0.00 100 Y 8.99 4.48 0.00 2.99 3.07 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 0.00 101 L 7.98 4.66 0.00 1.78 1.71 0.96 1.18 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 0.00 102 A 8.56 4.54 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 0.00 103 L 7.62 4.06 0.00 0.27 0.92 0.83 0.70 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 0.00 104 E 8.97 4.72 0.00 2.03 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 2.37 2.29 0.00 105 S 8.59 4.89 0.00 3.72 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 0.00 106 K 8.84 4.48 0.00 1.67 1.46 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.36 7.81 107 S 8.24 4.89 0.00 3.56 3.64 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 0.00 108 Y 8.42 4.94 0.00 2.77 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 0.00 109 Q 8.69 4.23 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.51 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 *114 I 8.19 3.95 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 1.35 0.48 0.89 0.00 0.00 115 A 8.79 4.77 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 0.00 116 T 8.47 5.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 117 Q 9.07 4.86 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.31 2.54 0.00 118 K 9.04 4.98 0.00 1.81 1.74 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.39 7.81 119 Q 9.26 5.68 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.40 0.00 0.00 0.00 0.00 0.00 2.29 2.21 0.00 120 F 8.16 4.96 0.00 3.35 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 *122 V 8.38 4.58 2.56 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 0.97 0.00 0.00 1.15 0.00 0.00 123 Q 8.88 5.26 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.99 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 124 T 8.96 4.39 4.34 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 1.27 0.00 0.00 125 P 0.00 4.29 0.00 2.12 2.20 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 126 D 7.93 4.62 0.00 2.89 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 0.00 127 G 8.19 3.75 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 0.00 0.00 0.00 128 Y 7.81 4.44 0.00 3.28 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 L 8.68 5.12 0.00 1.55 1.32 0.37 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 130 F 9.16 4.97 0.00 2.48 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 R 8.92 4.44 0.00 1.95 1.78 0.00 3.13 0.00 0.00 3.38 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 132 F 8.23 5.06 0.00 2.44 2.86 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 0.00 133 C 9.64 5.58 0.00 2.93 2.86 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 0.00 134 Q 9.21 4.84 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.65 0.00 135 D 8.96 4.87 0.00 2.63 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 0.00 136 I 7.93 3.56 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 1.19 0.64 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.