NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3973 8.3344 116.7906 58.5141 64.2472 172.9143 3 L 4.2440 7.9752 123.3910 53.2260 44.1916 173.9575 4 I 3.9365 8.1252 128.3105 59.9099 38.5811 173.4777 5 P 4.1347 0.0000 0.0000 62.3467 31.6871 175.5166 6 K 4.6309 7.7412 123.7381 54.4591 35.9573 174.6684 7 F 5.5723 8.9757 124.1599 55.7575 43.0119 173.7979 8 R 5.2832 9.0441 116.8606 54.4175 33.0603 173.9631 9 A 5.1115 8.9062 121.3874 50.0175 22.3409 175.3583 10 W 4.7673 9.0388 132.4604 56.3004 32.4776 174.7606 11 D 4.5336 8.3712 129.0033 53.4047 40.5194 176.7319 12 T 3.7365 8.5983 117.8160 63.6071 69.6566 176.4124 13 Y 4.0163 7.7224 123.1658 59.9861 39.1351 176.3585 14 E 3.8644 8.1197 116.0443 56.5320 30.5119 176.3540 15 K 3.1208 7.2605 117.4664 56.9918 30.4739 173.3870 16 E 4.1712 5.9000 123.9838 55.1527 34.9890 176.6543 *18 L 4.3829 8.5097 123.7094 55.9018 43.2659 176.4744 19 E 4.5996 8.9467 123.0298 54.8180 31.4359 175.4615 20 N 4.2402 8.3675 116.2172 54.7145 36.0282 174.1947 21 V 4.5391 7.9072 109.8454 60.5211 34.7053 177.9847 22 T 4.6966 8.8397 119.4674 61.1406 70.5799 171.9543 23 P 4.6516 0.0000 0.0000 62.4080 32.8120 175.6467 24 L 4.8364 8.8677 122.7702 53.0672 44.2898 175.4606 25 F 5.1499 8.8822 122.2056 55.3657 41.7987 175.2587 26 D 4.7018 8.6844 121.7390 52.7630 40.1898 176.9799 27 D 4.5506 8.6128 118.5545 56.1730 40.8141 177.3174 28 S 4.6919 8.0086 113.3301 58.1523 63.4595 174.1140 29 N 4.4711 8.0228 115.1021 55.1500 37.5193 174.7424 30 S 4.7420 8.0090 114.5573 58.5667 62.1038 177.5650 *32 I 3.7935 8.3723 111.2504 60.2324 39.7286 173.6096 33 A 4.9583 7.4753 122.6281 51.1988 23.4417 174.8271 34 I 4.8844 8.8594 118.8068 59.7462 41.9094 173.6789 35 I 4.7499 8.9412 131.0849 60.4495 37.9846 176.3111 36 T 4.4036 8.8833 118.0283 62.9328 70.1683 174.9246 37 D 4.9930 8.0418 121.2340 53.1946 45.4764 174.2408 38 F 5.4914 8.2393 116.4956 56.0683 41.2859 172.7531 39 Q 4.4910 9.2508 116.2541 54.7833 32.4300 173.5252 40 I 4.9886 8.3470 120.5574 59.9889 38.8605 175.2811 41 K 4.5799 9.1167 125.0068 55.2057 36.6514 175.2356 42 G 3.9418 8.8113 106.2663 44.2451 0.0000 172.7859 43 S 4.7860 8.0564 111.7444 55.0714 65.7742 171.5453 44 P 4.3265 0.0000 0.0000 64.8207 31.1767 176.6099 45 G 4.0743 9.9540 112.3143 45.5270 0.0000 173.4394 46 T 4.6440 8.2682 109.6807 60.1296 68.5018 172.4892 47 S 5.2567 7.6631 117.1140 57.6479 66.5176 174.7401 48 E 4.7898 9.0376 118.9319 54.9993 34.4636 174.5107 49 I 4.5219 8.2980 122.5860 60.3871 38.4676 175.2307 50 E 4.4391 9.3299 130.3424 54.6326 30.5015 174.9015 51 I 4.2541 8.3467 129.0911 61.5628 37.3391 176.2247 52 G 4.0406 9.4064 116.3618 48.2581 0.0000 173.8601 53 S 5.1648 7.8366 115.8836 56.3516 66.6980 171.7946 54 Y 5.1966 8.1133 118.3978 57.0611 40.5194 172.1246 55 D 4.8799 9.0924 118.6587 53.4053 45.5226 173.6399 56 T 5.1464 8.6624 111.1766 59.8229 72.4070 175.0435 57 T 3.3361 7.9131 112.9272 64.1981 68.7919 176.4812 58 F 4.4369 6.9416 118.5794 59.6570 38.9877 175.9076 59 N 4.5857 8.1466 116.8471 54.0415 38.7157 175.1195 60 W 5.1874 7.8486 117.1807 54.7891 33.3306 175.0428 61 D 4.4894 9.1285 122.3227 56.7619 40.5026 176.4320 62 E 4.5098 8.0776 118.0872 53.9092 31.5914 175.2198 63 F 4.1395 8.8025 127.5349 57.9835 39.6918 172.7575 64 P 4.2976 0.0000 0.0000 62.3422 32.2474 174.4210 65 Y 4.7498 6.6254 117.7144 56.6902 40.1919 175.3355 66 V 4.3645 8.6152 123.8963 61.4190 34.0972 175.3850 67 I 5.1610 8.2600 128.9407 59.4460 39.6570 174.4872 *69 Q 4.2624 8.3151 122.3355 56.1594 30.3353 174.7311 70 S 3.3619 8.0591 120.0279 57.9581 62.7505 174.5941 71 T 3.0993 8.0988 117.4907 62.0163 68.8552 175.9866 72 G 3.7388 7.5770 109.9968 45.5019 0.0000 173.3775 73 L 4.6235 7.3898 119.7134 52.9759 43.5935 175.6035 74 K 5.0157 8.5207 119.5996 54.5338 35.3630 176.4269 75 D 4.8156 8.6582 121.5911 51.9800 41.1994 176.9943 76 K 3.8518 8.5705 119.7163 59.3870 32.0358 177.1630 77 N 4.6886 8.4342 113.8426 52.7822 38.5474 175.4684 78 G 3.8689 8.3488 106.0581 45.7926 0.0000 173.9585 79 V 3.9160 8.1048 120.5576 61.6502 32.0891 175.1956 80 E 4.4526 8.8078 127.2351 56.7864 30.1603 176.3505 81 I 4.5230 8.9017 126.4080 60.7221 38.7640 175.1736 82 F 5.0589 9.7726 125.8178 54.9648 42.3068 174.8804 83 E 4.2137 8.6635 121.8748 58.4003 29.9647 177.6120 84 G 4.0725 9.2926 114.0354 45.3561 0.0000 173.3021 85 D 5.0310 8.0141 119.4387 54.6380 42.4665 175.5336 86 I 5.0318 8.8381 121.0679 59.8001 40.3297 174.8356 87 L 5.6011 9.1850 127.5329 53.1273 44.5289 176.3613 88 V 4.7908 8.7496 119.5992 59.9645 35.2603 174.0160 89 Y 3.4438 8.5837 124.2044 56.9740 39.0586 176.2578 90 D 4.4288 7.6265 129.4209 52.8850 39.9157 175.8356 91 A 4.2381 7.3707 123.4950 51.0580 19.7468 176.1331 92 P 4.4130 0.0000 0.0000 62.2827 32.0694 177.1559 93 K 4.0513 8.5752 120.7373 59.6190 32.7676 177.9136 94 K 3.6754 7.7978 119.3075 57.4556 32.6420 175.3600 95 Y 3.7127 7.9476 120.3865 58.3827 35.5703 171.2240 96 A 4.1094 8.0907 120.6102 52.9563 19.1896 177.1917 97 H 4.9458 8.4813 121.2223 53.4751 33.1632 173.2359 98 R 4.0678 8.4919 121.4159 56.7609 29.6331 176.1094 99 R 4.7973 8.2000 118.3246 54.6626 34.6367 176.1439 100 S 4.5003 8.2549 119.7629 58.6658 63.0866 173.7528 *102 H 4.6651 8.5404 121.3920 56.7308 30.1958 172.6420 103 E 4.7773 8.8845 124.3565 55.9910 31.3799 174.9909 104 I 4.7146 8.7696 126.8479 60.4474 38.9870 174.8833 105 A 5.4192 9.1384 127.7812 50.5768 23.6557 173.4148 106 Y 4.9723 8.6038 118.3011 56.1178 41.8698 174.4335 107 A 4.5326 8.6846 127.1974 51.9896 22.5351 174.9877 108 D 4.0836 9.5578 116.0834 55.4241 39.6050 174.7655 109 G 4.4595 9.5544 102.8426 45.2862 0.0000 173.8215 110 R 4.3873 6.6915 114.5764 54.2486 32.3804 174.1576 111 F 4.8759 8.3815 118.1035 57.5781 39.8508 174.9841 112 F 4.8194 9.2336 121.2423 55.2370 42.9118 173.8768 113 W 5.1113 8.4733 119.2535 55.2692 29.5327 175.9197 114 E 3.9290 9.2111 123.7100 56.4355 29.9128 176.4762 115 F 3.9487 7.9812 118.9072 58.3407 36.5801 175.3032 116 L 4.6700 7.6746 119.6750 53.0868 45.0903 175.5506 117 D 4.5308 8.7069 124.9303 56.0447 39.8325 177.0467 118 L 4.3258 7.6130 118.4481 54.0833 42.4082 176.5371 119 V 3.8289 8.2376 121.4710 62.3078 32.0922 175.5774 120 F 3.1169 8.5609 129.5266 58.2640 39.0891 174.1534 121 C 4.1339 7.1622 122.0084 55.8035 33.2043 174.3364 122 Q 3.7083 8.1979 121.8377 59.2956 28.4578 178.4512 123 S 4.1372 7.8569 114.7624 61.6342 62.8206 176.1116 124 N 4.5318 7.9662 118.6907 56.0021 38.5778 176.9523 125 I 4.2460 7.9065 121.4963 63.8560 36.9856 177.4933 126 L 4.5067 7.5699 117.2644 54.0892 42.6756 176.4640 127 Y 4.5070 7.7016 121.7203 58.8549 40.5088 175.5090 128 R 3.5126 7.8745 125.1440 57.7447 29.1991 179.0789 129 D 4.1558 8.7788 128.1051 55.5988 40.8087 176.9896 130 G 4.0782 8.1857 108.0705 45.1620 0.0000 171.6292 131 Y 5.1574 8.7986 115.8158 56.0092 41.4097 175.3023 132 L 5.3140 8.7972 121.7244 52.7637 45.6558 176.0445 133 V 4.3185 9.3197 123.9889 63.2381 31.3557 175.8529 134 I 4.3312 8.8301 128.7418 61.2046 39.1819 176.5150 135 G 4.0226 7.2322 106.9113 46.1853 0.0000 170.6595 136 N 5.4377 8.1074 117.8576 51.1229 40.6336 175.5472 137 I 3.6174 8.1661 112.0285 63.8147 37.8981 177.5126 138 H 3.9951 7.8559 117.4534 58.2567 28.7854 176.4185 139 E 3.7708 7.9908 117.4580 58.1016 30.3140 176.8738 140 N 5.5271 8.3193 115.1033 49.9331 39.2776 173.8906 141 P 4.3434 0.0000 0.0000 65.1408 31.8672 177.7958 142 E 4.0648 8.1209 117.2380 58.9286 29.2067 178.6679 143 L 4.0467 7.8808 119.3930 56.6183 41.7574 177.9783 144 L 4.5490 7.4295 116.3643 54.2457 42.4872 175.9882 145 E 4.0751 7.6953 125.4160 56.3677 29.5589 176.1017 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 S 8.33 4.40 0.00 3.85 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 3 L 7.98 4.24 0.00 1.59 1.49 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.13 3.94 1.80 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 0.61 0.89 0.00 0.00 5 P 0.00 4.13 0.00 2.24 2.08 0.00 3.70 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 2.03 1.98 0.00 6 K 7.74 4.63 0.00 1.71 1.38 0.00 1.68 0.00 0.00 2.00 0.00 0.00 3.14 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.59 1.57 7.81 7 F 8.98 5.57 0.00 3.30 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 8 R 9.04 5.28 0.00 1.86 1.77 0.00 2.52 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 9 A 8.91 5.11 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 10 W 9.04 4.77 0.00 3.28 2.78 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 11 D 8.37 4.53 0.00 2.46 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 0.00 0.00 0.00 0.00 12 T 8.60 3.74 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 1.30 0.00 0.00 13 Y 7.72 4.02 0.00 2.58 2.82 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 14 E 8.12 3.86 0.00 1.88 1.87 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 2.46 2.30 0.00 15 K 7.26 3.12 0.00 1.82 1.95 0.00 1.93 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.23 1.52 7.81 16 E 5.90 4.17 0.00 1.60 1.55 0.00 0.00 0.00 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 2.18 0.00 *18 L 8.51 4.38 0.00 1.67 1.68 1.02 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.95 4.60 0.00 1.87 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 2.26 2.27 0.00 20 N 8.37 4.24 0.00 2.90 2.94 0.00 0.00 6.89 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 21 V 7.91 4.54 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 0.76 0.00 0.00 1.05 0.00 0.00 22 T 8.84 4.70 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 1.20 0.00 0.00 23 P 0.00 4.65 0.00 2.18 1.90 0.00 3.55 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.96 0.00 24 L 8.87 4.84 0.00 1.67 1.53 0.91 0.85 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 25 F 8.88 5.15 0.00 2.84 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 26 D 8.68 4.70 0.00 2.95 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 27 D 8.61 4.55 0.00 2.71 2.78 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 28 S 8.01 4.69 0.00 3.98 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 29 N 8.02 4.47 0.00 2.91 3.01 0.00 0.00 6.60 7.35 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 30 S 8.01 4.74 0.00 3.87 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *32 I 8.37 3.79 1.63 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 1.26 0.68 0.77 0.00 0.00 33 A 7.48 4.96 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 34 I 8.86 4.88 1.71 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.60 0.27 0.00 0.00 35 I 8.94 4.75 1.90 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.61 1.09 0.00 0.00 36 T 8.88 4.40 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 1.13 0.00 0.00 37 D 8.04 4.99 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 38 F 8.24 5.49 0.00 3.14 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 9.25 4.49 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.83 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 40 I 8.35 4.99 1.94 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 1.55 1.02 1.02 0.00 0.00 41 K 9.12 4.58 0.00 1.66 1.67 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.52 7.81 42 G 8.81 3.94 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 0.00 0.00 0.00 43 S 8.06 4.79 0.00 3.96 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 44 P 0.00 4.33 0.00 2.06 2.08 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 45 G 9.95 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 46 T 8.27 4.64 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 47 S 7.66 5.26 0.00 3.89 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 E 9.04 4.79 0.00 1.93 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 0.00 2.22 2.33 0.00 49 I 8.30 4.52 1.83 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.50 0.82 0.00 0.00 50 E 9.33 4.44 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 51 I 8.35 4.25 1.77 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.61 0.93 0.00 0.00 52 G 9.41 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 53 S 7.84 5.16 0.00 3.88 3.96 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 54 Y 8.11 5.20 0.00 3.13 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 55 D 9.09 4.88 0.00 2.71 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 56 T 8.66 5.15 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 1.47 0.00 0.00 57 T 7.91 3.34 3.68 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 -0.01 0.00 0.00 58 F 6.94 4.44 0.00 3.18 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 59 N 8.15 4.59 0.00 3.23 2.59 0.00 0.00 6.72 6.95 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 60 W 7.85 5.19 0.00 3.37 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 61 D 9.13 4.49 0.00 2.76 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 62 E 8.08 4.51 0.00 1.95 1.87 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 2.24 2.32 0.00 63 F 8.80 4.14 0.00 2.89 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 64 P 0.00 4.30 0.00 1.32 1.29 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 65 Y 6.63 4.75 0.00 2.27 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 66 V 8.62 4.36 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 1.08 0.00 0.00 0.98 0.00 0.00 67 I 8.26 5.16 2.01 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 1.27 1.54 1.10 0.00 0.00 *69 Q 8.32 4.26 0.00 2.42 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 7.10 0.00 0.00 0.00 0.00 0.00 2.09 1.77 0.00 70 S 8.06 3.36 0.00 2.72 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 71 T 8.10 3.10 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 0.45 0.00 0.00 72 G 7.58 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 73 L 7.39 4.62 0.00 1.50 1.30 0.07 0.49 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 74 K 8.52 5.02 0.00 1.66 1.67 0.00 1.67 0.00 0.00 1.85 0.00 0.00 3.20 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.28 7.81 75 D 8.66 4.82 0.00 3.25 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 76 K 8.57 3.85 0.00 1.78 2.00 0.00 1.87 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.42 7.81 77 N 8.43 4.69 0.00 2.88 2.83 0.00 0.00 6.95 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 78 G 8.35 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.10 3.92 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 nan 0.00 0.00 0.97 0.00 0.00 80 E 8.81 4.45 0.00 2.05 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 2.26 2.36 0.00 81 I 8.90 4.52 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.79 1.05 0.00 0.00 82 F 9.77 5.06 0.00 2.82 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 83 E 8.66 4.21 0.00 2.23 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 2.50 2.64 0.00 84 G 9.29 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 85 D 8.01 5.03 0.00 2.85 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 86 I 8.84 5.03 1.90 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 1.26 0.88 0.96 0.00 0.00 87 L 9.19 5.60 0.00 1.80 2.01 1.11 1.18 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 88 V 8.75 4.79 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.99 0.00 0.00 89 Y 8.58 3.44 0.00 2.49 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 90 D 7.63 4.43 0.00 2.43 2.47 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 0.00 0.00 0.00 0.00 91 A 7.37 4.24 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 92 P 0.00 4.41 0.00 2.08 2.01 0.00 3.76 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 93 K 8.58 4.05 0.00 1.82 1.92 0.00 1.54 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.35 7.81 94 K 7.80 3.68 0.00 1.50 1.35 0.00 1.68 0.00 0.00 1.12 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.30 1.03 7.81 95 Y 7.95 3.71 0.00 3.16 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 96 A 8.09 4.11 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 97 H 8.48 4.95 0.00 3.11 3.12 0.00 5.75 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 R 8.49 4.07 0.00 1.95 1.91 0.00 3.02 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 99 R 8.20 4.80 0.00 1.80 1.86 0.00 3.32 0.00 0.00 3.31 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 100 S 8.25 4.50 0.00 3.83 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *102 H 8.54 4.67 0.00 3.24 3.49 0.00 5.61 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.88 4.78 0.00 2.12 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 2.42 2.38 0.00 104 I 8.77 4.71 2.02 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.78 0.77 0.00 0.00 105 A 9.14 5.42 1.24 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 0.00 0.00 106 Y 8.60 4.97 0.00 2.87 2.74 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 0.00 107 A 8.68 4.53 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 0.00 108 D 9.56 4.08 0.00 2.78 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 0.00 109 G 9.55 4.46 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 R 6.69 4.39 0.00 1.70 1.71 0.00 2.21 0.00 0.00 2.74 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.56 0.00 111 F 8.38 4.88 0.00 3.13 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 F 9.23 4.82 0.00 2.79 2.80 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 0.00 113 W 8.47 5.11 0.00 3.20 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 9.21 3.93 0.00 1.89 1.33 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 2.23 2.54 0.00 115 F 7.98 3.95 0.00 3.32 3.13 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 0.00 116 L 7.67 4.67 0.00 1.03 0.98 0.66 -0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.71 4.53 0.00 2.85 2.80 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 0.00 118 L 7.61 4.33 0.00 1.89 1.93 1.08 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 119 V 8.24 3.83 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 0.67 0.00 0.00 0.96 0.00 0.00 120 F 8.56 3.12 0.00 1.79 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 0.00 121 C 7.16 4.13 0.00 2.92 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 0.00 122 Q 8.20 3.71 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.94 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 123 S 7.86 4.14 0.00 4.05 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 0.00 124 N 7.97 4.53 0.00 2.92 3.31 0.00 0.00 6.92 7.45 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 0.00 125 I 7.91 4.25 1.99 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.31 1.13 0.00 0.00 126 L 7.57 4.51 0.00 1.64 1.77 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 127 Y 7.70 4.51 0.00 3.15 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 0.00 128 R 7.87 3.51 0.00 1.96 1.00 0.00 3.07 0.00 0.00 3.11 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.50 0.00 129 D 8.78 4.16 0.00 1.79 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 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 0.00 131 Y 8.80 5.16 0.00 3.18 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 0.00 132 L 8.80 5.31 0.00 1.59 1.56 0.95 0.78 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 0.00 133 V 9.32 4.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.09 0.00 0.00 134 I 8.83 4.33 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.05 0.93 0.00 0.00 135 G 7.23 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 0.00 136 N 8.11 5.44 0.00 2.99 3.02 0.00 0.00 7.17 6.86 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 0.00 137 I 8.17 3.62 1.73 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.04 1.00 0.00 0.00 138 H 7.86 4.00 0.00 2.30 1.31 0.00 5.69 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 7.99 3.77 0.00 1.70 1.87 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 2.19 1.53 0.00 140 N 8.32 5.53 0.00 2.80 2.76 0.00 0.00 6.69 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 P 0.00 4.34 0.00 2.22 2.24 0.00 3.63 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 2.03 1.97 0.00 142 E 8.12 4.06 0.00 2.16 2.24 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 2.34 2.33 0.00 143 L 7.88 4.05 0.00 1.72 1.77 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 144 L 7.43 4.55 0.00 1.62 1.68 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 145 E 7.70 4.08 0.00 1.86 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 2.30 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.