NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.0066 8.3344 115.4000 58.1430 63.8596 175.0249 3 D 4.5601 7.3391 120.5657 53.1727 40.6746 174.2499 4 W 4.4878 9.4068 127.2477 58.7585 30.4244 177.1404 5 D 4.5326 8.4979 118.7288 57.2547 40.3331 177.0831 6 P 4.2972 0.0000 0.0000 65.2128 31.3025 178.9834 7 V 3.9640 7.7944 117.0218 66.0169 31.5824 177.8997 8 V 3.2679 8.0519 118.0536 65.8374 31.2740 177.7394 9 K 3.8485 8.2868 119.6060 59.6381 31.8473 178.6000 10 E 4.5371 8.0037 117.6639 58.5954 29.5659 178.7157 11 W 4.0778 7.9209 119.1988 58.5899 29.4404 177.6474 12 L 4.5672 8.1276 117.8193 54.8986 42.6304 178.3652 13 V 4.0924 7.3509 116.7287 64.9137 32.7267 177.3722 14 D 4.3346 8.3137 119.1943 57.4223 40.3974 178.7151 15 T 3.9045 7.6523 108.7185 62.9464 69.0468 175.4606 16 G 3.7011 7.7324 109.5460 45.3677 0.0000 173.6074 17 Y 4.4800 7.2305 115.7760 58.9147 38.6399 175.2237 18 C 5.1461 7.4483 116.2937 57.9080 31.8278 173.7802 19 C 4.4764 8.8986 117.0771 60.1474 30.7586 172.8006 20 A 4.7805 7.6713 119.3961 51.7383 22.3081 174.8469 21 G 4.2251 8.4465 105.7630 46.2440 0.0000 172.1667 22 G 4.3593 8.4637 106.1886 46.0429 0.0000 172.3125 23 I 4.9895 7.6342 119.0101 59.2708 41.3597 174.9606 24 A 5.0816 8.6276 127.2416 49.7793 22.9096 174.5456 25 N 4.9557 8.9474 118.4494 53.1629 38.6635 176.1404 26 A 4.0545 9.1476 128.6371 54.9413 19.0468 179.4330 27 E 4.1312 8.5904 115.1829 59.1635 29.5714 177.5726 28 D 4.6607 7.4140 110.3873 51.8576 41.2921 176.3746 29 G 3.8875 8.8316 109.2193 45.6262 0.0000 172.9057 30 V 4.2957 8.2178 121.4148 61.8104 32.6395 175.5285 31 V 4.1802 8.7095 129.0155 63.1785 31.6616 175.3365 32 F 5.3648 8.6587 121.9057 56.7392 39.1222 175.0890 33 A 4.9971 6.9806 120.3487 51.0831 22.4507 175.0095 34 A 4.7515 8.7704 121.3599 50.8517 22.4925 175.5772 35 A 4.7173 8.8406 120.8508 51.0863 23.4196 175.0272 36 A 5.1373 8.2473 119.8579 50.6067 22.7098 177.1755 37 D 4.3893 9.0025 118.9128 55.3277 39.5163 177.0891 38 D 4.7978 7.8721 117.9544 52.6276 39.6546 175.5703 39 D 4.4532 8.2863 116.6678 55.7288 39.3865 174.0643 40 D 5.0693 8.2006 115.7503 52.7961 41.1613 176.6330 41 G 3.6980 7.9152 109.4669 47.4926 0.0000 173.5797 42 W 4.1789 8.2551 120.8334 59.7996 28.9385 178.5994 43 S 4.3569 8.1355 114.1777 61.2866 62.2222 176.3450 44 K 4.2382 8.0942 120.4338 57.9094 31.7456 178.3007 45 L 4.5032 7.7373 116.6473 54.9751 42.9518 175.7746 46 Y 5.0603 8.1459 119.3446 55.9581 42.0534 173.3692 47 K 4.3591 7.7766 126.3186 54.0505 35.4199 175.5423 48 D 4.3946 8.2359 124.2533 53.3550 41.4867 175.3095 49 D 4.6797 8.6431 122.5612 55.6155 41.8971 175.5510 50 H 4.9052 8.5991 117.5000 53.6109 32.2425 172.1584 51 E 4.5374 8.6795 122.4198 56.2499 30.3686 175.2471 52 E 4.7256 8.9114 124.9116 54.3270 34.6129 174.4637 53 D 5.0316 8.7341 121.0050 54.8151 41.7499 176.3294 54 T 4.6363 8.9688 112.7922 60.7201 71.3157 173.5741 55 I 4.9891 8.2027 123.0357 59.6905 40.7620 176.0200 56 G 3.9765 8.9732 116.0603 44.3494 0.0000 174.2040 57 E 4.0634 8.6164 117.9445 58.6378 29.4323 177.7774 58 D 4.5811 8.1107 116.8507 52.8294 39.6831 177.4407 59 G 3.9300 8.1533 107.6469 45.9788 0.0000 173.7969 60 N 4.6919 8.0549 117.3751 51.5983 39.8126 174.5495 61 A 4.5778 8.4518 124.7357 52.7299 18.8599 177.2401 62 C 4.8341 9.7797 116.0003 56.5931 31.4458 174.8663 63 G 3.9435 6.4066 107.0478 46.3612 0.0000 171.4645 64 K 5.2501 8.1687 117.9979 54.9870 36.6045 176.2504 65 V 4.4703 8.5425 120.2645 60.3293 35.1389 173.5936 66 S 4.3844 8.5877 118.6053 58.2557 63.1408 172.9987 67 I 4.0959 8.3973 129.1189 59.9927 38.9859 174.2619 68 N 5.1208 8.3812 125.8031 51.5070 39.8802 175.0818 69 E 4.0600 9.0254 126.8805 59.5766 29.6014 178.9524 70 A 4.5824 8.1081 121.5009 54.8194 18.3121 179.6030 71 S 4.1187 8.5494 113.7025 62.0732 62.8947 177.1511 72 T 3.9499 7.8971 111.9261 64.7385 68.4472 176.8100 73 I 3.6838 7.9555 122.6342 64.0935 37.2274 178.2095 74 K 3.9039 8.4051 120.5867 59.4102 31.9500 178.5917 75 A 3.9789 8.3909 121.0701 55.0673 18.3539 179.4166 76 A 3.9228 8.1569 119.3378 55.2894 18.2567 180.1143 77 V 3.4859 7.6700 115.3205 66.4577 31.7897 177.7870 78 D 4.5310 8.4889 117.5463 56.4553 40.7885 176.9091 79 D 4.7782 8.1322 116.4501 52.8750 42.9084 176.5336 80 G 3.9581 8.3972 106.5296 45.7552 0.0000 173.4494 81 S 4.4732 7.7859 110.9335 56.7829 65.1980 173.4912 82 A 4.7786 8.3787 129.8062 49.5180 21.3323 175.1332 83 P 4.5137 0.0000 0.0000 65.2702 31.6811 176.7630 84 N 5.0243 7.7282 115.6510 52.6690 40.0399 175.5198 85 G 3.9934 8.6397 101.8084 45.7692 0.0000 173.5160 86 V 4.2274 8.2381 119.4019 60.8873 32.4949 174.9264 87 W 5.1181 9.0080 127.2875 54.9432 31.2693 175.1668 88 I 4.6513 8.6930 124.0917 60.3581 39.2822 175.8165 89 G 3.8241 9.7285 114.0318 45.5383 0.0000 174.1855 90 G 3.9620 9.2202 108.0101 44.8309 0.0000 174.1835 91 Q 4.5523 7.9555 119.2739 53.7985 30.7230 174.3401 92 K 3.5573 7.6089 123.1969 55.3657 33.0539 175.2093 93 Y 4.7524 8.8589 124.2085 55.9737 42.3523 174.0825 94 K 4.6896 8.9280 122.6094 54.3838 34.9114 175.7333 95 V 4.0200 8.4493 126.7033 63.2892 31.4321 175.5316 96 V 4.1153 8.1717 120.7084 62.2468 33.2550 176.2355 97 R 4.2668 7.4811 118.1145 55.0680 30.5770 171.8743 98 P 4.8987 0.0000 0.0000 62.0237 32.9506 176.0123 99 E 4.6350 9.3641 122.1653 54.8675 33.3949 174.8320 100 K 4.5249 8.9962 124.6450 55.9337 33.5611 177.0443 101 G 3.9474 9.4497 111.9103 46.3525 0.0000 173.8776 102 F 4.2142 8.4977 121.9804 57.7821 40.0638 173.5309 103 E 4.7356 7.6268 127.5034 55.3113 30.5330 175.3039 104 Y 4.5403 9.1806 125.2907 57.1295 41.8194 174.2618 105 N 3.8846 9.2507 127.1334 54.9135 37.2860 173.8844 106 D 4.5779 8.3930 111.8514 54.7506 38.7737 173.4728 107 C 4.8998 8.0326 118.9588 57.8107 35.4978 172.6270 108 T 5.1735 7.9982 112.2932 60.0259 70.9754 173.5381 109 F 4.9991 9.2808 121.5431 55.9823 43.8242 173.4193 110 D 5.1518 8.5592 121.8371 53.8062 42.2670 175.5191 111 I 5.0175 8.9287 124.3681 60.1167 40.7870 175.1297 112 T 4.6800 8.7030 121.6495 62.2948 72.9335 172.2803 *114 C 4.8560 8.5251 117.3833 60.4936 30.0053 173.0900 115 A 5.2188 9.1360 123.6682 50.2714 22.4127 175.1842 116 R 4.6428 8.3950 115.4757 54.1400 32.3030 174.7831 117 S 4.0823 8.3290 114.8174 59.5867 63.1081 174.9065 118 K 4.7613 8.2349 123.6804 56.2603 29.5256 175.2614 119 G 3.9811 6.7873 105.4938 47.4816 0.0000 172.1393 120 G 4.2649 6.4561 105.1919 46.1474 0.0000 172.2757 121 A 5.0369 8.7889 120.8070 50.7142 22.4459 175.6538 122 H 4.9780 9.3034 119.1245 53.9709 31.7071 173.5776 123 L 5.1322 8.8900 123.2614 53.0008 44.5200 175.5405 124 I 4.9490 8.6151 124.3981 59.3845 41.0226 174.2903 125 K 5.0111 9.2077 130.1685 55.3721 33.6822 176.5104 126 T 4.6596 9.0570 118.1055 60.0789 70.1390 173.8274 127 P 4.1131 0.0000 0.0000 65.7659 31.3258 177.1897 128 N 4.6460 8.1545 112.6050 52.9382 38.7196 174.8061 129 G 3.7782 8.2189 106.7093 46.7180 0.0000 173.4551 130 S 5.1238 8.1311 114.7091 56.7540 65.6812 174.0840 131 I 4.8336 8.6809 124.6340 59.3635 39.2869 175.2489 132 V 4.0312 8.8950 129.0254 62.7795 32.8779 174.7560 133 I 4.9163 9.0152 128.5486 59.4617 39.9693 174.3070 134 A 4.9575 8.9245 129.0578 50.0973 21.8095 174.4459 135 L 5.1318 8.9129 123.5284 53.4865 44.1034 175.5526 136 Y 5.3159 8.5616 120.5920 55.2222 42.0485 173.9580 137 D 4.8592 9.4214 119.9808 52.6220 43.7014 176.2811 138 E 4.6704 9.2811 126.0544 58.3179 29.7378 178.7585 139 E 4.1900 8.5892 117.4899 57.7662 28.4295 177.4338 140 K 4.4415 8.2316 118.6384 56.0095 32.3195 176.7281 141 E 3.8839 7.9171 116.1608 57.4500 27.4115 174.4472 142 Q 4.7032 7.3869 116.3503 54.6245 31.0081 174.3842 143 D 4.9540 7.9440 117.8760 50.4049 42.8681 176.5408 144 K 3.0820 7.5392 120.8404 58.9009 32.4197 179.6277 145 G 3.3839 7.7752 106.4750 47.8527 0.0000 175.4113 146 N 4.1241 8.6980 120.5639 55.5379 38.0391 177.7458 147 S 4.1372 7.8435 115.5953 61.3224 62.9818 176.5322 148 R 3.3334 7.7331 122.2183 59.3376 29.7021 178.6319 149 T 3.6846 7.5743 115.4356 66.5078 68.3971 176.4790 150 S 4.0892 8.0657 114.8864 61.4029 62.3530 176.1747 151 A 4.0559 8.1258 123.6559 55.1176 18.0326 179.5882 152 L 3.2886 7.9964 117.6831 57.5817 41.4834 179.5486 153 A 4.2235 8.0799 120.9324 55.2801 18.3453 179.5265 154 F 3.7778 8.4553 118.9091 61.2439 39.4756 177.1443 155 A 3.7281 8.1484 120.8700 55.1573 18.0676 179.2804 156 E 4.3829 8.3846 118.0598 59.4720 29.7576 178.3459 157 Y 4.2011 8.1081 119.8453 60.5821 38.6665 178.0368 158 L 3.7242 7.9211 120.2616 57.8861 41.6677 178.7129 159 H 4.4047 8.5472 119.7941 59.0443 29.6131 177.3329 160 Q 3.9040 8.3226 118.2046 58.4053 28.5655 178.0147 161 S 4.5081 7.6903 114.0589 58.2120 63.1279 174.9055 162 G 3.7125 8.0476 110.3393 45.4502 0.0000 173.5236 163 Y 4.2227 8.2377 123.5918 57.8427 38.1481 175.5630 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 4.01 0.00 4.07 4.03 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 3 D 7.34 4.56 0.00 2.72 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.41 4.49 0.00 3.64 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 D 8.50 4.53 0.00 2.86 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 6 P 0.00 4.30 0.00 2.21 2.14 0.00 3.78 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 2.33 2.20 0.00 7 V 7.79 3.96 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 1.03 0.00 0.00 8 V 8.05 3.27 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 0.95 0.00 0.00 1.15 0.00 0.00 9 K 8.29 3.85 0.00 1.98 1.91 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.17 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.44 7.81 10 E 8.00 4.54 0.00 2.00 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 2.61 2.15 0.00 11 W 7.92 4.08 0.00 2.40 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 12 L 8.13 4.57 0.00 1.65 1.66 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.35 4.09 2.18 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 1.06 0.00 0.00 0.89 0.00 0.00 14 D 8.31 4.33 0.00 2.79 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 7.65 3.90 4.31 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 1.16 0.00 0.00 16 G 7.73 3.70 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 0.00 0.00 0.00 17 Y 7.23 4.48 0.00 3.04 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 18 C 7.45 5.15 0.00 3.27 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 19 C 8.90 4.48 0.00 3.13 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.67 4.78 1.19 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 0.00 0.00 21 G 8.45 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 0.00 0.00 0.00 0.00 22 G 8.46 4.36 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 0.00 23 I 7.63 4.99 0.56 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.51 0.54 0.00 0.00 24 A 8.63 5.08 1.13 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 0.00 0.00 25 N 8.95 4.96 0.00 2.91 3.00 0.00 0.00 7.42 8.51 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 26 A 9.15 4.05 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 0.00 0.00 0.00 0.00 0.00 27 E 8.59 4.13 0.00 2.07 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 2.35 2.37 0.00 28 D 7.41 4.66 0.00 2.72 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 29 G 8.83 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 0.00 0.00 0.00 30 V 8.22 4.30 2.27 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 0.97 0.00 0.00 1.06 0.00 0.00 31 V 8.71 4.18 2.19 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 0.40 0.00 0.00 0.97 0.00 0.00 32 F 8.66 5.36 0.00 3.04 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 33 A 6.98 5.00 0.99 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 34 A 8.77 4.75 -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 35 A 8.84 4.72 1.17 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 0.00 0.00 36 A 8.25 5.14 1.29 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 37 D 9.00 4.39 0.00 2.77 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 38 D 7.87 4.80 0.00 2.78 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 39 D 8.29 4.45 0.00 2.88 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 40 D 8.20 5.07 0.00 2.63 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 41 G 7.92 3.70 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 0.00 0.00 0.00 42 W 8.26 4.18 0.00 3.47 3.36 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 43 S 8.14 4.36 0.00 4.05 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 44 K 8.09 4.24 0.00 1.88 1.86 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.70 1.62 7.81 45 L 7.74 4.50 0.00 1.52 1.54 0.82 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 8.15 5.06 0.00 3.23 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.78 4.36 0.00 1.61 1.64 0.00 1.70 0.00 0.00 1.05 0.00 0.00 2.58 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.19 1.24 7.81 48 D 8.24 4.39 0.00 2.74 2.55 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 0.00 0.00 0.00 49 D 8.64 4.68 0.00 2.68 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 50 H 8.60 4.91 0.00 3.06 3.21 0.00 5.45 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.68 4.54 0.00 1.93 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 2.21 2.39 0.00 52 E 8.91 4.73 0.00 1.42 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 1.58 1.47 0.00 53 D 8.73 5.03 0.00 2.63 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 54 T 8.97 4.64 4.26 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 1.22 0.00 0.00 55 I 8.20 4.99 1.90 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 1.34 0.99 0.96 0.00 0.00 56 G 8.97 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 57 E 8.62 4.06 0.00 1.97 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 2.32 2.30 0.00 58 D 8.11 4.58 0.00 2.78 2.76 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 0.00 0.00 0.00 59 G 8.15 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 0.00 0.00 0.00 60 N 8.05 4.69 0.00 2.93 2.74 0.00 0.00 6.83 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 61 A 8.45 4.58 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 62 C 9.78 4.83 0.00 3.00 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 63 G 6.41 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 64 K 8.17 5.25 0.00 1.56 1.68 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.40 7.81 65 V 8.54 4.47 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 0.73 0.00 0.00 0.89 0.00 0.00 66 S 8.59 4.38 0.00 3.84 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 67 I 8.40 4.10 1.17 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 0.54 -0.33 0.61 0.00 0.00 68 N 8.38 5.12 0.00 2.75 2.70 0.00 0.00 7.69 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 69 E 9.03 4.06 0.00 2.11 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 2.53 2.47 0.00 70 A 8.11 4.58 1.50 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 0.00 0.00 71 S 8.55 4.12 0.00 4.08 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 72 T 7.90 3.95 4.56 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 0.00 0.00 0.00 1.45 0.00 0.00 73 I 7.96 3.68 2.04 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 1.40 0.74 0.90 0.00 0.00 74 K 8.41 3.90 0.00 1.90 1.97 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.48 7.81 75 A 8.39 3.98 1.47 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 0.00 0.00 76 A 8.16 3.92 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 77 V 7.67 3.49 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 0.88 0.00 0.00 0.98 0.00 0.00 78 D 8.49 4.53 0.00 2.76 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 79 D 8.13 4.78 0.00 2.81 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 80 G 8.40 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 0.00 0.00 0.00 81 S 7.79 4.47 0.00 3.81 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 82 A 8.38 4.78 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 83 P 0.00 4.51 0.00 2.22 2.22 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 84 N 7.73 5.02 0.00 2.84 2.93 0.00 0.00 7.18 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 85 G 8.64 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 86 V 8.24 4.23 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 0.94 0.00 0.00 0.93 0.00 0.00 87 W 9.01 5.12 0.00 3.31 3.25 0.00 0.00 0.00 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0.00 0.91 0.00 0.00 0.93 0.00 0.00 96 V 8.17 4.12 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 0.78 0.00 0.00 0.94 0.00 0.00 97 R 7.48 4.27 0.00 1.72 1.79 0.00 3.22 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 98 P 0.00 4.90 0.00 1.98 1.96 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 99 E 9.36 4.63 0.00 1.83 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 2.24 2.25 0.00 100 K 9.00 4.52 0.00 1.67 1.76 0.00 1.94 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.41 7.81 101 G 9.45 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 0.00 0.00 0.00 102 F 8.50 4.21 0.00 3.19 3.23 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 0.00 103 E 7.63 4.74 0.00 1.68 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 2.18 2.15 0.00 104 Y 9.18 4.54 0.00 3.22 3.09 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 0.00 0.00 0.00 0.00 105 N 9.25 3.88 0.00 2.00 2.70 0.00 0.00 7.31 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 0.00 106 D 8.39 4.58 0.00 2.89 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 0.00 107 C 8.03 4.90 0.00 2.91 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 0.00 108 T 8.00 5.17 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 109 F 9.28 5.00 0.00 3.04 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 0.00 110 D 8.56 5.15 0.00 2.73 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 0.00 111 I 8.93 5.02 1.77 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.74 0.79 0.00 0.00 112 T 8.70 4.68 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 1.19 0.00 0.00 *114 C 8.53 4.86 0.00 2.68 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 0.00 115 A 9.14 5.22 1.20 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 0.00 0.00 116 R 8.40 4.64 0.00 1.35 1.26 0.00 2.72 0.00 0.00 2.48 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.35 0.00 117 S 8.33 4.08 0.00 3.81 3.78 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 0.00 118 K 8.23 4.76 0.00 1.90 1.88 0.00 2.18 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.30 7.81 119 G 6.79 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 0.00 120 G 6.46 4.26 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 0.00 121 A 8.79 5.04 0.51 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 0.00 122 H 9.30 4.98 0.00 3.08 3.14 0.00 5.76 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 0.00 123 L 8.89 5.13 0.00 1.50 1.50 0.86 0.53 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 0.00 124 I 8.62 4.95 1.76 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.57 0.75 0.00 0.00 125 K 9.21 5.01 0.00 1.83 1.72 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.40 7.81 126 T 9.06 4.66 4.33 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 0.00 0.00 1.34 0.00 0.00 127 P 0.00 4.11 0.00 1.99 2.05 0.00 3.54 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 128 N 8.15 4.65 0.00 2.77 2.81 0.00 0.00 6.97 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 0.00 129 G 8.22 3.78 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 0.00 0.00 0.00 130 S 8.13 5.12 0.00 3.78 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 0.00 131 I 8.68 4.83 1.82 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 0.84 0.87 0.00 0.00 132 V 8.90 4.03 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 1.05 0.00 0.00 0.65 0.00 0.00 133 I 9.02 4.92 1.75 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 1.06 0.60 0.78 0.00 0.00 134 A 8.92 4.96 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 0.00 135 L 8.91 5.13 0.00 1.66 1.55 0.93 0.63 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 0.00 136 Y 8.56 5.32 0.00 3.08 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 D 9.42 4.86 0.00 2.68 2.55 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 0.00 0.00 0.00 138 E 9.28 4.67 0.00 2.22 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 2.68 2.47 0.00 139 E 8.59 4.19 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 2.34 2.40 0.00 140 K 8.23 4.44 0.00 1.94 1.79 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.54 7.81 141 E 7.92 3.88 0.00 2.09 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 0.00 2.24 2.41 0.00 142 Q 7.39 4.70 0.00 2.51 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.65 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 143 D 7.94 4.95 0.00 2.65 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 0.00 144 K 7.54 3.08 0.00 1.85 1.80 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.23 7.81 145 G 7.78 3.38 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 0.00 146 N 8.70 4.12 0.00 2.72 2.59 0.00 0.00 6.87 7.11 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 0.00 147 S 7.84 4.14 0.00 4.22 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 0.00 148 R 7.73 3.33 0.00 1.66 1.90 0.00 2.87 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.32 0.00 149 T 7.57 3.68 4.17 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 1.16 0.00 0.00 150 S 8.07 4.09 0.00 3.98 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 0.00 151 A 8.13 4.06 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 0.00 152 L 8.00 3.29 0.00 1.12 0.13 0.61 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 153 A 8.08 4.22 1.69 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 0.00 154 F 8.46 3.78 0.00 3.14 3.17 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 0.00 155 A 8.15 3.73 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.38 4.38 0.00 2.47 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 2.58 2.60 0.00 157 Y 8.11 4.20 0.00 2.43 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 0.00 0.00 0.00 158 L 7.92 3.72 0.00 1.65 1.62 0.34 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 159 H 8.55 4.40 0.00 3.30 3.82 0.00 5.65 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 0.00 160 Q 8.32 3.90 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.72 0.00 0.00 0.00 0.00 0.00 2.41 2.68 0.00 161 S 7.69 4.51 0.00 3.91 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 0.00 162 G 8.05 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 0.00 0.00 0.00 163 Y 8.24 4.22 0.00 3.10 2.85 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 * Residues marked with a * may have inaccurate shift predictions.