NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.9682 8.1400 114.8012 57.8040 64.6639 173.9373 2 L 3.9936 8.6395 124.8967 58.5559 41.7688 178.3726 3 L 4.0729 8.8073 119.7911 57.6631 41.9213 178.5331 4 E 3.9978 7.9406 118.6368 59.6001 29.3721 179.1701 5 F 4.6535 8.7643 120.8437 61.5360 39.4379 177.3354 6 G 3.5252 8.6424 105.7173 47.6538 0.0000 175.6198 7 K 4.0318 8.1052 121.9995 59.3780 32.2481 178.6341 8 M 4.3394 8.5190 118.8785 58.6871 32.0676 178.2528 9 I 3.6403 7.9362 120.1585 64.2447 37.2235 178.1299 10 L 4.5105 7.8942 122.3571 57.8303 41.7326 178.6476 11 E 4.0076 8.3354 117.5577 59.6247 29.4781 179.1353 12 E 4.1541 8.2236 117.5696 59.1613 29.7673 178.5458 13 T 4.4479 8.2011 107.5460 60.8733 70.3025 175.8208 14 G 3.7776 8.1749 109.5748 45.7134 0.0000 172.8831 *16 K 4.4621 7.4675 117.7039 55.7479 33.4496 175.2031 17 L 4.3421 8.2001 122.6064 54.4242 42.5716 177.7704 18 A 4.0084 8.9487 126.7468 54.8663 18.4917 177.1010 19 I 4.6349 7.6666 116.6281 59.4622 38.0305 173.6949 20 P 4.8880 0.0000 0.0000 61.7951 31.8136 176.5502 21 S 4.2831 7.9325 115.7516 60.7386 62.7324 174.5175 22 Y 4.7346 8.2005 114.9541 57.3583 38.9251 176.1921 23 S 4.6856 8.1347 115.8939 59.6346 63.7701 175.1817 24 S 4.6777 7.8651 115.8047 57.9909 63.7151 172.2049 25 Y 4.7092 8.1422 121.5714 58.2915 39.9540 175.6242 26 G 3.5650 8.2737 116.9583 46.5526 0.0000 172.8596 27 C 4.5181 9.2677 115.5621 58.2388 40.7988 174.5767 28 Y 4.3663 8.4819 114.5753 57.4859 39.9069 174.9053 29 C 4.7965 8.4493 118.6466 58.7325 39.7661 172.2664 30 G 4.7186 8.7212 112.3698 44.7285 0.0000 176.5508 31 W 4.1786 9.4239 134.9829 58.1942 30.6519 176.4059 32 G 3.8719 8.2946 103.9632 46.0459 0.0000 169.9774 33 G 3.6654 8.0840 108.7539 45.1164 0.0000 174.0912 34 K 4.5781 7.2551 117.9099 55.2676 36.0651 175.8648 35 G 4.4941 9.0053 106.9275 45.2224 0.0000 173.1954 36 T 4.2113 7.9900 115.4776 61.7276 69.0777 173.6266 37 P 4.6357 0.0000 0.0000 63.0119 31.8895 176.8274 38 K 3.7862 8.6861 121.1102 58.9566 32.3064 176.6936 39 D 4.4030 7.3842 116.5783 51.3470 42.7389 175.9399 40 A 3.9922 8.4220 120.4674 55.9234 18.0737 179.6990 41 T 4.0006 8.0979 113.5128 67.0545 68.4838 176.1556 42 D 4.5981 8.8777 119.9836 57.4720 41.1856 178.4787 43 R 3.9221 8.3215 118.9302 59.2470 29.9983 178.1358 44 C 4.1552 8.4175 116.5587 60.4983 40.2533 175.7219 45 C 4.3745 8.2049 117.6531 59.7505 40.9768 175.8079 46 F 3.6162 8.5100 122.6053 61.2923 38.9493 177.3833 47 V 3.4632 8.0370 117.8567 66.1832 31.2159 177.4259 48 H 3.9313 8.2499 118.0151 59.1184 29.6170 176.9590 49 D 4.1383 8.1353 120.9447 57.5978 40.4313 178.2104 50 C 4.0918 7.5559 115.7614 59.8241 35.3843 175.0133 51 C 4.5595 8.2514 121.8004 59.4558 44.3333 175.2886 52 Y 4.2779 8.0367 118.5354 61.1010 37.1988 178.8892 53 G 3.6217 8.0078 105.4689 47.3091 0.0000 174.8954 54 N 4.5751 8.0513 117.6898 54.2990 39.5165 174.5405 55 L 4.9926 7.5379 119.6560 52.8381 42.2417 175.2123 56 P 4.1972 0.0000 0.0000 65.5091 32.4337 178.3962 *59 D 4.9090 7.8897 117.6609 54.4307 42.5538 175.3339 *61 C 5.2380 7.6316 115.9667 57.3230 42.8046 172.8222 *67 N 4.8964 7.9508 116.5222 52.9467 38.6641 173.6806 68 P 4.1220 0.0000 0.0000 64.7613 32.2291 179.2733 69 K 4.1414 8.1020 118.1196 58.4672 32.2307 178.5553 70 S 4.4356 7.7917 111.2108 58.7267 64.7650 173.8771 71 D 4.4325 8.0602 121.4197 53.7955 41.2102 175.5390 72 R 4.4244 8.4302 126.1329 55.3352 31.2413 175.1136 73 Y 4.9398 7.8612 119.2287 55.0042 41.0962 174.6258 74 K 4.9903 8.5785 118.7328 54.9261 35.1701 175.0688 75 Y 5.5464 8.4167 120.6667 55.5334 41.5541 173.5190 76 K 4.6959 9.2823 119.0339 55.3464 36.9397 174.6175 77 R 5.1075 8.5279 118.6875 54.5233 32.3156 176.6706 78 V 4.1448 8.8024 124.2460 61.4873 32.2573 175.2420 79 N 4.0405 8.6755 127.9261 53.8737 37.1129 175.7198 80 G 3.7156 8.7447 109.1306 48.3052 0.0000 173.2560 81 A 4.2508 8.1659 123.5690 51.8429 19.7051 176.7540 82 I 4.5124 8.3087 122.7411 60.7830 38.4158 175.5793 83 V 4.3275 8.9435 127.5292 60.9246 33.8362 173.9882 84 C 4.7769 8.8579 126.4680 57.3043 40.4350 173.6689 85 E 4.6173 9.0643 124.1519 54.8150 31.0343 176.2340 86 K 4.1350 8.4771 123.4043 56.4062 33.4749 175.5979 *88 G 4.2049 8.3046 115.1285 45.3103 0.0000 172.5574 89 T 4.1900 8.5423 113.8199 61.1583 71.0166 175.8170 90 S 4.0876 8.5154 117.2512 62.1014 62.8314 177.6701 91 C 4.2578 8.1420 118.4486 60.1145 40.0456 175.9490 92 E 4.0009 8.2165 120.0421 59.4383 29.0761 179.0726 93 N 4.2573 8.4010 116.7530 56.5467 38.6612 177.7559 94 R 3.8987 8.0186 119.2494 59.0806 30.1593 179.0827 95 I 3.6255 8.0691 120.0893 64.4153 37.1114 177.5013 96 C 2.8690 7.9085 119.3663 59.4526 43.3126 175.5728 97 E 3.8148 7.9467 119.9337 59.4130 28.9764 178.7440 98 C 4.1880 8.0867 116.6151 60.0897 40.6795 175.9727 99 D 3.7758 7.9739 120.4386 56.8262 40.3345 178.4275 100 K 3.6654 8.2037 120.3818 59.6146 32.0917 178.4332 101 A 3.8479 7.8607 120.4288 55.1363 18.2233 179.4734 102 A 3.4582 7.7432 118.8550 54.9899 18.4042 179.7511 103 A 3.8371 8.0852 119.4624 55.3216 18.3811 179.9386 104 I 3.6273 7.7998 118.4469 64.5548 36.9208 177.8343 105 C 4.1845 8.1288 118.6846 59.6287 37.9032 175.2775 106 F 4.5953 8.0680 119.7615 60.7056 38.0617 177.5505 107 R 3.9493 8.1474 118.2535 59.5987 29.6966 178.2860 108 Q 4.2182 8.3695 117.8855 57.9591 29.2476 176.1667 109 N 5.0777 7.7229 115.4040 52.9605 39.5538 176.2051 110 L 4.1864 7.8095 120.4995 57.9605 41.7809 179.2448 111 N 4.5408 8.2824 114.7292 55.2892 38.5949 175.4417 112 T 4.5648 7.7776 106.1107 60.7702 69.4673 173.7504 113 Y 4.1304 7.7666 124.6186 58.5637 39.4180 175.1876 114 S 4.9690 8.6943 122.1888 56.4055 65.8234 175.4056 115 K 4.1122 8.8081 125.3793 58.8744 32.0248 178.9895 116 K 3.9735 7.7328 116.7181 58.8866 32.6112 176.9531 117 Y 4.4905 7.3271 116.7866 58.0981 38.3041 175.4733 118 M 4.4231 7.5279 120.6363 56.3356 32.4812 175.8451 119 L 3.7142 8.4991 120.8066 55.6388 40.0473 174.4763 120 Y 4.1342 7.6182 119.0781 56.8517 39.5404 173.8938 121 P 4.3986 0.0000 0.0000 62.2555 32.5636 176.3506 122 D 4.2729 9.0587 121.9107 57.3690 41.0837 178.2690 *124 F 4.7225 7.8392 110.8812 56.5384 39.5593 175.2858 125 L 3.8227 6.8596 119.2508 54.7509 41.3507 175.9583 126 C 4.8848 8.0804 117.5433 55.0049 39.2502 173.2506 127 K 4.6536 8.4394 123.5950 55.4017 35.4454 176.6311 128 G 4.3107 9.5070 109.5051 44.7151 0.0000 173.5245 129 E 3.1930 8.3676 110.9156 55.7402 30.2945 177.6807 130 L 3.4759 8.2159 118.6139 54.8225 40.4580 173.5629 131 K 4.0487 7.8488 121.9824 56.2786 33.0682 178.1068 *133 C 4.9062 8.5463 118.0449 57.5186 41.5374 173.8050 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 1 S 8.14 4.97 0.00 4.16 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 2 L 8.64 3.99 0.00 2.07 1.87 1.11 0.53 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 3 L 8.81 4.07 0.00 1.76 1.74 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 4 E 7.94 4.00 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 5 F 8.76 4.65 0.00 3.40 3.37 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 6 G 8.64 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.11 4.03 0.00 1.92 2.06 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.49 7.81 8 M 8.52 4.34 0.00 2.37 2.13 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 9 I 7.94 3.64 1.86 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.23 0.69 0.00 0.00 10 L 7.89 4.51 0.00 1.77 1.83 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.34 4.01 0.00 2.23 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 0.00 2.41 2.59 0.00 12 E 8.22 4.15 0.00 2.20 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 2.50 2.49 0.00 13 T 8.20 4.45 4.28 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 1.30 0.00 0.00 14 G 8.17 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 *16 K 7.47 4.46 0.00 1.88 1.59 0.00 1.48 0.00 0.00 0.92 0.00 0.00 2.50 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.27 7.81 17 L 8.20 4.34 0.00 1.69 1.76 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.95 4.01 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 19 I 7.67 4.63 1.90 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 1.53 0.71 0.94 0.00 0.00 20 P 0.00 4.89 0.00 2.18 2.15 0.00 3.35 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 21 S 7.93 4.28 0.00 3.69 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.20 4.73 0.00 2.79 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 0.00 0.00 0.00 0.00 23 S 8.13 4.69 0.00 4.10 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 0.00 24 S 7.87 4.68 0.00 4.04 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 0.00 25 Y 8.14 4.71 0.00 3.05 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 26 G 8.27 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 9.27 4.52 0.00 2.88 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 28 Y 8.48 4.37 0.00 3.41 3.11 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 29 C 8.45 4.80 0.00 3.50 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.72 4.72 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 0.00 0.00 0.00 31 W 9.42 4.18 0.00 3.33 3.48 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 32 G 8.29 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 33 G 8.08 3.67 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 0.00 0.00 0.00 34 K 7.26 4.58 0.00 1.71 1.89 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.43 7.81 35 G 9.01 4.49 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 0.00 0.00 0.00 36 T 7.99 4.21 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 1.14 0.00 0.00 37 P 0.00 4.64 0.00 1.94 2.03 0.00 3.45 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 1.56 1.75 0.00 38 K 8.69 3.79 0.00 0.79 0.74 0.00 1.65 0.00 0.00 1.37 0.00 0.00 2.74 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.84 0.21 7.81 39 D 7.38 4.40 0.00 2.86 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 40 A 8.42 3.99 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.10 4.00 4.39 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 0.00 0.00 0.00 0.91 0.00 0.00 42 D 8.88 4.60 0.00 3.00 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 43 R 8.32 3.92 0.00 2.07 1.95 0.00 3.11 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.82 0.00 44 C 8.42 4.16 0.00 3.28 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 45 C 8.20 4.37 0.00 3.40 3.50 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 46 F 8.51 3.62 0.00 2.51 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 47 V 8.04 3.46 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 0.79 0.00 0.00 1.05 0.00 0.00 48 H 8.25 3.93 0.00 3.12 3.30 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.14 4.14 0.00 2.72 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 0.00 0.00 0.00 0.00 50 C 7.56 4.09 0.00 2.89 2.97 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 51 C 8.25 4.56 0.00 2.95 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 52 Y 8.04 4.28 0.00 3.01 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 53 G 8.01 3.62 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 0.00 0.00 0.00 54 N 8.05 4.58 0.00 2.92 2.83 0.00 0.00 6.59 6.52 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 55 L 7.54 4.99 0.00 1.61 1.51 0.86 0.84 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 56 P 0.00 4.20 0.00 2.19 2.28 0.00 3.76 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.96 0.00 *59 D 7.89 4.91 0.00 2.73 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 *61 C 7.63 5.24 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 *67 N 7.95 4.90 0.00 2.73 2.78 0.00 0.00 7.63 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 68 P 0.00 4.12 0.00 1.09 0.98 0.00 3.35 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.18 0.00 69 K 8.10 4.14 0.00 1.80 1.91 0.00 1.80 0.00 0.00 1.98 0.00 0.00 3.15 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.57 1.46 7.81 70 S 7.79 4.44 0.00 3.95 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 71 D 8.06 4.43 0.00 2.73 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 72 R 8.43 4.42 0.00 1.80 1.89 0.00 3.17 0.00 0.00 3.32 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 73 Y 7.86 4.94 0.00 3.05 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 74 K 8.58 4.99 0.00 1.75 1.89 0.00 1.62 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.36 7.81 75 Y 8.42 5.55 0.00 3.11 2.97 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 76 K 9.28 4.70 0.00 1.79 1.92 0.00 1.28 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.43 7.81 77 R 8.53 5.11 0.00 1.72 2.16 0.00 3.39 0.00 0.00 3.42 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 78 V 8.80 4.14 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 1.09 0.00 0.00 0.95 0.00 0.00 79 N 8.68 4.04 0.00 2.89 2.71 0.00 0.00 7.13 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 80 G 8.74 3.72 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 0.00 0.00 0.00 81 A 8.17 4.25 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 82 I 8.31 4.51 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.62 0.78 0.00 0.00 83 V 8.94 4.33 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 0.96 0.00 0.00 84 C 8.86 4.78 0.00 2.97 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 85 E 9.06 4.62 0.00 2.05 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 2.34 2.48 0.00 86 K 8.48 4.14 0.00 1.80 1.70 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.44 7.81 *88 G 8.30 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 0.00 0.00 0.00 0.00 89 T 8.54 4.19 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 90 S 8.52 4.09 0.00 3.87 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 91 C 8.14 4.26 0.00 2.95 3.11 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 92 E 8.22 4.00 0.00 2.29 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 0.00 2.56 2.55 0.00 93 N 8.40 4.26 0.00 2.82 2.83 0.00 0.00 7.08 8.27 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 94 R 8.02 3.90 0.00 1.81 1.91 0.00 3.10 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 1.60 1.73 0.00 95 I 8.07 3.63 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.61 0.93 0.00 0.00 96 C 7.91 2.87 0.00 2.17 2.89 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 97 E 7.95 3.81 0.00 1.93 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 2.41 2.42 0.00 98 C 8.09 4.19 0.00 3.16 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 99 D 7.97 3.78 0.00 2.66 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 0.00 100 K 8.20 3.67 0.00 1.62 1.89 0.00 1.56 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.38 7.81 101 A 7.86 3.85 1.28 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 0.00 0.00 102 A 7.74 3.46 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 0.00 103 A 8.09 3.84 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 0.00 104 I 7.80 3.63 1.97 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.72 0.87 0.00 0.00 105 C 8.13 4.18 0.00 2.90 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 0.00 106 F 8.07 4.60 0.00 2.99 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 0.00 107 R 8.15 3.95 0.00 1.96 2.14 0.00 3.17 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 108 Q 8.37 4.22 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 109 N 7.72 5.08 0.00 3.02 2.86 0.00 0.00 6.82 6.46 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 0.00 110 L 7.81 4.19 0.00 1.80 1.76 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.28 4.54 0.00 2.76 2.92 0.00 0.00 6.71 7.54 0.00 0.00 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 T 7.78 4.56 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 1.27 0.00 0.00 113 Y 7.77 4.13 0.00 2.99 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 0.00 114 S 8.69 4.97 0.00 3.75 3.45 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 0.00 115 K 8.81 4.11 0.00 1.82 1.89 0.00 1.70 0.00 0.00 1.90 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.71 1.58 7.81 116 K 7.73 3.97 0.00 1.60 1.71 0.00 0.67 0.00 0.00 1.34 0.00 0.00 2.40 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.82 0.28 7.81 117 Y 7.33 4.49 0.00 1.74 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 0.00 0.00 0.00 118 M 7.53 4.42 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.67 0.00 119 L 8.50 3.71 0.00 1.82 1.76 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 7.62 4.13 0.00 3.09 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 0.00 121 P 0.00 4.40 0.00 2.42 2.20 0.00 2.55 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.84 0.00 122 D 9.06 4.27 0.00 2.87 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 *124 F 7.84 4.72 0.00 3.23 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 0.00 125 L 6.86 3.82 0.00 1.10 1.54 0.45 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.08 4.88 0.00 3.04 3.22 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 0.00 127 K 8.44 4.65 0.00 1.74 1.67 0.00 1.69 0.00 0.00 1.85 0.00 0.00 3.13 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.38 7.81 128 G 9.51 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 0.00 0.00 0.00 0.00 129 E 8.37 3.19 0.00 2.14 1.93 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 2.31 2.38 0.00 130 L 8.22 3.48 0.00 1.61 1.69 0.76 -0.32 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 0.00 131 K 7.85 4.05 0.00 1.90 1.76 0.00 1.77 0.00 0.00 1.83 0.00 0.00 3.10 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.57 1.50 7.81 *133 C 8.55 4.91 0.00 2.95 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 * Residues marked with a * may have inaccurate shift predictions.