NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 E 4.2295 8.4449 116.7551 55.1049 31.2240 175.3696 *19 P 4.3133 0.0000 0.0000 62.0829 34.5300 177.2361 20 Q 4.0552 8.5537 119.6510 59.2508 28.6566 179.2860 21 E 4.0086 8.1368 119.0971 59.5377 29.5215 179.2218 22 Q 4.0242 8.0396 117.5636 59.0286 28.8638 178.6007 23 Q 4.0075 8.2526 119.1092 58.9004 28.6738 178.7400 24 L 4.0975 8.2039 121.0953 58.1246 41.9477 178.7891 25 A 3.9677 7.8439 119.6899 55.2403 18.3755 179.4858 26 V 3.7077 7.8756 115.9050 65.8634 31.9188 177.7722 27 K 4.1581 8.1985 119.4697 59.6407 31.9461 178.5818 28 Y 3.2255 7.7884 115.8169 58.4479 38.2774 177.0829 *30 D 4.4692 8.0512 119.5699 53.9565 43.1708 177.6810 31 A 3.9624 7.9921 121.7261 55.1660 18.9422 179.3807 32 L 3.9635 8.0917 118.1295 58.4832 42.1736 179.3535 33 T 4.3440 7.8238 106.4303 64.0290 69.0312 174.9200 34 E 4.1727 8.1653 120.1160 56.4127 29.8911 175.8882 35 H 3.7178 7.7590 114.8603 56.9399 26.8234 176.2586 36 D 4.5204 7.7699 119.5389 53.6698 38.6435 174.8686 37 Y 4.4096 7.6689 121.9468 60.3148 38.1162 177.5081 38 K 4.0410 8.0865 118.6596 59.7271 32.5908 178.9916 39 T 4.1319 8.0209 116.1992 66.3789 68.4130 176.7209 40 L 4.0992 8.2671 122.6287 58.3252 42.1997 178.9204 41 I 3.8697 8.2658 118.7135 63.9652 37.6281 177.7351 42 T 3.9215 7.6778 109.3729 64.1127 68.7117 174.9045 43 F 4.5758 8.2305 119.3730 57.9177 39.5727 174.6736 44 Y 5.4430 7.7804 118.4914 56.0794 40.9878 174.4263 45 N 5.3036 8.5942 119.7365 50.8546 40.2459 174.9543 46 R 4.1856 8.6286 113.1435 58.4028 29.5975 176.6843 47 D 4.7013 8.1070 117.5848 54.6655 41.7951 176.8343 48 S 4.5508 8.1280 117.0975 58.7231 64.2308 172.9605 49 I 4.8243 8.7221 125.4943 59.5453 39.5493 174.2180 50 F 5.1758 9.3941 130.2183 56.4827 41.3904 174.0309 51 F 5.2339 8.7441 129.0367 56.5557 42.2572 173.4890 52 D 4.5932 8.9728 128.2975 52.8352 40.5635 176.7340 53 K 2.7225 8.2426 128.8841 58.6423 32.5690 179.4486 54 T 3.8147 7.8294 108.0869 64.2399 68.8309 174.9939 55 A 4.1102 8.6599 123.1510 51.7056 19.3676 176.1194 56 N 4.2368 7.3623 113.6936 54.9782 37.9953 174.2639 57 R 4.5803 8.1299 115.6969 54.1359 33.5463 175.9401 58 K 5.0610 8.3099 124.6244 54.7211 35.2143 174.6420 59 Y 4.7490 9.1040 123.5715 56.5056 42.0759 174.3517 60 T 4.9689 8.8908 119.6898 62.9316 71.7644 174.5422 61 G 4.4727 9.6201 113.7197 45.7915 0.0000 174.2826 62 G 3.7990 8.9316 108.8124 47.9237 0.0000 175.9000 63 R 3.6531 7.7725 120.4028 59.1578 30.0835 178.4168 64 F 4.3044 7.7058 116.8003 60.0051 39.0856 177.9062 65 I 3.5995 7.8512 119.6727 64.4865 36.8495 178.5070 66 I 3.4055 7.7596 120.7109 64.1500 36.8250 177.8941 67 D 4.1250 7.9062 118.8832 57.2192 41.0007 178.1131 68 F 3.8427 7.8688 120.9247 61.2391 39.1898 177.0719 69 L 3.0039 7.4209 118.3954 57.4146 41.1066 179.2873 70 E 3.8901 7.7697 117.6100 59.4527 29.3115 179.5119 71 R 3.9532 7.7163 117.6294 59.1467 29.9758 178.8618 72 A 3.7957 7.6641 119.5068 54.7009 18.5047 178.6290 73 H 5.0229 7.7348 112.7200 54.5127 29.4761 174.1999 74 Q 4.1027 7.1918 122.3402 57.9161 29.1023 176.8958 75 G 3.9512 9.0198 112.4571 45.7077 0.0000 173.6958 76 V 3.4862 7.4805 118.6721 62.1824 31.6858 175.9560 77 L 4.3289 8.3389 122.9329 56.6398 42.7311 176.8730 78 E 4.6899 7.4460 117.9422 54.9663 33.3569 173.4030 79 Y 5.5408 8.3445 126.3413 56.8020 41.9448 173.3656 80 D 4.6166 9.0455 125.0983 52.8550 46.2513 174.1904 81 F 4.8197 8.5338 123.9889 56.7044 40.9038 174.9874 82 N 4.4599 8.6554 126.2247 51.8666 39.2698 174.7670 83 I 3.5751 7.6685 125.7021 61.0627 37.1756 176.0551 84 E 4.2532 8.9936 127.7501 58.7797 30.4806 175.5478 85 H 4.8239 7.7279 116.4071 55.2328 33.6293 171.6025 *87 Y 4.7620 8.2705 118.0739 56.9943 39.5063 173.6622 88 N 5.2740 8.7068 115.0160 51.2324 40.5268 174.1416 89 A 4.5517 8.6880 122.6378 50.8196 21.1278 176.8405 90 G 3.7189 8.3423 114.6756 48.1342 0.0000 173.2402 91 S 4.3989 8.6200 119.1138 58.1527 63.3063 172.6800 92 L 4.8223 7.9882 125.1495 54.2120 43.1524 175.1279 93 V 4.6341 8.7306 127.4034 61.2452 33.8293 174.8465 94 V 4.3002 8.1498 127.2508 60.7850 34.8350 174.2474 *96 I 4.0791 8.0867 121.1239 61.4735 38.4429 175.1481 97 G 3.8328 8.6673 113.6608 46.3424 0.0000 171.4093 98 N 5.6476 8.1935 120.2743 52.4191 42.9761 174.1594 99 Y 4.9118 9.3026 124.5871 57.5527 39.8214 173.7737 100 H 5.5156 9.3092 125.3183 54.6274 32.0193 173.2018 101 F 5.3571 9.3318 127.8406 56.2637 42.7082 173.0695 102 K 4.6407 7.9690 127.5098 54.7221 34.9091 175.2084 103 G 4.0374 8.2632 113.0537 44.9436 0.0000 170.3159 104 P 4.8070 0.0000 0.0000 63.3457 31.5077 177.4087 105 G 4.0255 9.3201 110.0613 46.6431 0.0000 175.4235 106 E 4.1314 8.7421 121.3015 59.7072 29.5050 179.3531 107 Q 4.0705 8.0539 113.5295 58.1234 29.0757 176.3611 108 F 4.4380 8.2845 116.4117 57.3623 38.9535 176.0429 109 G 3.9758 8.2688 107.9434 45.9912 0.0000 175.0588 110 K 4.6721 8.1236 117.8737 53.2099 32.0635 174.1052 111 P 4.3667 0.0000 0.0000 64.1785 32.0745 178.4870 112 G 3.9611 9.7616 108.8477 45.6700 0.0000 173.0363 113 K 4.7461 7.4553 118.2049 54.4649 36.2652 174.8979 114 I 4.8586 8.2551 122.4354 59.8428 38.7112 175.6369 115 I 4.5434 8.5653 121.1619 59.7190 40.4655 174.6222 116 D 4.9876 8.9364 122.6663 53.2329 43.5758 174.7597 117 V 4.8237 9.1474 118.9503 59.5839 36.3342 175.2289 118 A 5.0745 9.5744 124.6075 50.6908 21.2810 175.4783 119 I 4.4654 8.9065 123.5879 59.6012 39.5110 174.2085 120 P 4.8831 0.0000 0.0000 63.2655 32.5047 175.2760 121 A 5.0979 8.8981 122.8573 51.1919 23.4719 175.1692 122 V 4.7216 8.7275 119.3266 61.3723 34.5842 174.5354 123 T 5.2149 8.7800 123.8187 61.7149 71.2455 173.3043 124 S 5.0336 9.0259 120.9831 56.4282 66.2603 172.9364 125 L 5.0605 8.8666 122.2632 52.8644 44.9489 175.1995 126 K 4.7586 9.1401 126.1731 55.1615 33.4893 174.9864 127 L 5.0499 8.6783 128.2626 53.4077 43.7184 176.0238 128 D 4.5716 9.0277 122.9456 53.2696 43.2497 176.8998 *130 L 4.1925 8.4082 121.8047 54.9888 43.3672 177.1893 131 N 4.5888 8.4159 111.9407 52.4802 39.3899 174.8335 132 R 3.8755 7.9210 116.2920 57.7619 27.9528 175.7933 133 R 4.9576 7.4361 115.0735 54.3553 35.1314 176.5248 134 V 4.4621 8.8826 122.8055 62.3882 31.4361 175.8372 135 T 4.3352 9.0118 120.2991 63.9733 70.5692 174.6597 136 E 5.1124 8.0438 122.9126 54.8569 33.4228 173.2119 137 H 5.3411 9.7305 127.7809 54.5552 32.3281 172.6367 138 V 4.7349 8.8222 126.6657 61.1866 34.0780 173.7399 139 D 5.2020 8.6382 127.8958 52.6362 43.5474 175.4845 140 L 4.7991 9.0736 123.6560 53.0685 43.5678 174.8472 141 I 4.4683 8.5325 124.7926 59.1916 39.1934 176.6555 142 D 4.5902 8.4491 127.3003 53.1393 39.4197 175.4563 143 Y 4.4147 7.7841 120.5175 60.3736 38.8768 177.6036 144 Q 4.2012 8.3359 120.8707 59.4935 29.5291 179.1588 145 T 4.2298 8.1242 113.8235 63.8750 68.0370 176.3275 *147 S 4.5198 8.2221 119.5894 58.8526 64.9190 176.1055 148 D 4.4250 8.3839 119.3040 57.5056 40.5369 178.6437 149 Q 4.1714 7.9910 117.5180 59.0265 28.8560 178.4927 150 L 4.1847 7.9679 118.0680 57.1405 41.9710 179.7058 151 A 4.2425 7.8280 122.4018 51.6494 18.1207 177.3428 *153 Q 4.0698 8.1332 126.0710 57.5701 29.2852 175.7261 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 17 E 8.44 4.23 0.00 2.01 1.86 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 2.13 1.91 0.00 *19 P 0.00 4.31 0.00 2.20 2.05 0.00 3.59 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 20 Q 8.55 4.06 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 21 E 8.14 4.01 0.00 2.07 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 2.59 2.48 0.00 22 Q 8.04 4.02 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.57 0.00 23 Q 8.25 4.01 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 24 L 8.20 4.10 0.00 1.99 1.89 1.15 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.84 3.97 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 26 V 7.88 3.71 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 0.84 0.00 0.00 1.01 0.00 0.00 27 K 8.20 4.16 0.00 2.00 2.17 0.00 1.83 0.00 0.00 1.87 0.00 0.00 3.12 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.76 1.60 7.81 28 Y 7.79 3.23 0.00 1.72 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 *30 D 8.05 4.47 0.00 2.99 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 31 A 7.99 3.96 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 32 L 8.09 3.96 0.00 1.35 1.56 1.03 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.82 4.34 4.14 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 1.09 0.00 0.00 34 E 8.17 4.17 0.00 2.02 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 2.29 2.33 0.00 35 H 7.76 3.72 0.00 3.05 2.60 0.00 5.67 0.00 0.00 0.00 0.00 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.77 4.52 0.00 2.75 2.54 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 37 Y 7.67 4.41 0.00 3.04 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 38 K 8.09 4.04 0.00 1.76 1.91 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.59 7.81 39 T 8.02 4.13 4.50 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 1.40 0.00 0.00 40 L 8.27 4.10 0.00 1.96 1.97 0.55 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.27 3.87 2.05 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.15 1.03 0.00 0.00 42 T 7.68 3.92 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 1.23 0.00 0.00 43 F 8.23 4.58 0.00 3.04 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 44 Y 7.78 5.44 0.00 3.04 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 45 N 8.59 5.30 0.00 2.98 3.00 0.00 0.00 6.80 7.67 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 46 R 8.63 4.19 0.00 2.01 2.16 0.00 3.06 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 47 D 8.11 4.70 0.00 2.89 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 48 S 8.13 4.55 0.00 3.82 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 49 I 8.72 4.82 1.89 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 1.08 0.84 0.87 0.00 0.00 50 F 9.39 5.18 0.00 3.09 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 51 F 8.74 5.23 0.00 2.83 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 52 D 8.97 4.59 0.00 2.86 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.24 2.72 0.00 0.94 1.49 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.22 1.01 7.81 54 T 7.83 3.81 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 55 A 8.66 4.11 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 56 N 7.36 4.24 0.00 2.77 2.85 0.00 0.00 6.93 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 57 R 8.13 4.58 0.00 1.76 1.64 0.00 3.28 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 58 K 8.31 5.06 0.00 1.43 1.34 0.00 1.41 0.00 0.00 1.42 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.10 1.18 7.81 59 Y 9.10 4.75 0.00 2.86 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 60 T 8.89 4.97 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 1.33 0.00 0.00 61 G 9.62 4.47 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 0.00 62 G 8.93 3.80 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 0.00 0.00 0.00 63 R 7.77 3.65 0.00 1.59 1.33 0.00 2.81 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.33 0.00 64 F 7.71 4.30 0.00 3.33 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 65 I 7.85 3.60 1.53 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 1.52 0.74 0.83 0.00 0.00 66 I 7.76 3.41 1.68 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 1.21 0.70 -0.12 0.00 0.00 67 D 7.91 4.13 0.00 2.73 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 68 F 7.87 3.84 0.00 1.76 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 69 L 7.42 3.00 0.00 1.63 1.47 1.02 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 70 E 7.77 3.89 0.00 1.93 1.94 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 2.18 2.40 0.00 71 R 7.72 3.95 0.00 1.86 1.88 0.00 3.11 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 72 A 7.66 3.80 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 H 7.73 5.02 0.00 3.30 3.33 0.00 5.66 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 7.19 4.10 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.17 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 75 G 9.02 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 76 V 7.48 3.49 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 0.68 0.00 0.00 0.57 0.00 0.00 77 L 8.34 4.33 0.00 1.51 1.64 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 78 E 7.45 4.69 0.00 1.91 1.56 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 2.28 2.29 0.00 79 Y 8.34 5.54 0.00 2.74 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 80 D 9.05 4.62 0.00 2.60 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.53 4.82 0.00 2.41 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 82 N 8.66 4.46 0.00 2.54 2.60 0.00 0.00 6.69 8.05 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 83 I 7.67 3.58 1.64 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 0.68 -0.17 0.76 0.00 0.00 84 E 8.99 4.25 0.00 1.89 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 2.24 2.13 0.00 85 H 7.73 4.82 0.00 3.10 3.24 0.00 5.95 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *87 Y 8.27 4.76 0.00 3.05 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 88 N 8.71 5.27 0.00 3.03 2.77 0.00 0.00 5.74 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.69 4.55 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 G 8.34 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 91 S 8.62 4.40 0.00 4.14 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 92 L 7.99 4.82 0.00 1.81 1.74 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.73 4.63 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 0.92 0.00 0.00 0.94 0.00 0.00 94 V 8.15 4.30 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 0.00 0.00 0.52 0.00 0.00 0.69 0.00 0.00 *96 I 8.09 4.08 1.96 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.55 0.97 0.00 0.00 97 G 8.67 3.83 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 0.00 0.00 0.00 98 N 8.19 5.65 0.00 2.89 2.58 0.00 0.00 7.61 7.17 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 99 Y 9.30 4.91 0.00 3.09 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 0.00 100 H 9.31 5.52 0.00 3.25 3.20 0.00 5.54 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 0.00 101 F 9.33 5.36 0.00 3.33 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 0.00 102 K 7.97 4.64 0.00 1.63 1.36 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.16 1.40 7.81 103 G 8.26 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 0.00 104 P 0.00 4.81 0.00 2.07 2.15 0.00 3.92 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.14 0.00 105 G 9.32 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 0.00 0.00 0.00 106 E 8.74 4.13 0.00 2.14 2.07 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 2.44 2.43 0.00 107 Q 8.05 4.07 0.00 1.96 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 7.27 0.00 0.00 0.00 0.00 0.00 2.14 1.50 0.00 108 F 8.28 4.44 0.00 3.16 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 0.00 109 G 8.27 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 0.00 110 K 8.12 4.67 0.00 1.81 1.75 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.57 1.54 7.81 111 P 0.00 4.37 0.00 2.23 2.21 0.00 3.90 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 112 G 9.76 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 0.00 113 K 7.46 4.75 0.00 1.77 1.69 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.39 7.81 114 I 8.26 4.86 1.85 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 1.39 0.81 0.85 0.00 0.00 115 I 8.57 4.54 1.75 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.69 0.90 0.00 0.00 116 D 8.94 4.99 0.00 2.64 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 0.00 117 V 9.15 4.82 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 0.64 0.00 0.00 1.10 0.00 0.00 118 A 9.57 5.07 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 0.00 119 I 8.91 4.47 2.03 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.83 0.92 0.00 0.00 120 P 0.00 4.88 0.00 2.10 2.01 0.00 3.67 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.14 0.00 121 A 8.90 5.10 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 0.00 122 V 8.73 4.72 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.99 0.00 0.00 123 T 8.78 5.21 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 1.18 0.00 0.00 124 S 9.03 5.03 0.00 3.80 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 0.00 125 L 8.87 5.06 0.00 1.45 1.41 0.81 0.45 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 0.00 126 K 9.14 4.76 0.00 1.84 1.69 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.46 7.81 127 L 8.68 5.05 0.00 1.56 1.59 0.95 1.24 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 0.00 128 D 9.03 4.57 0.00 2.70 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 *130 L 8.41 4.19 0.00 1.66 1.90 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 131 N 8.42 4.59 0.00 2.94 2.83 0.00 0.00 7.14 7.02 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 0.00 132 R 7.92 3.88 0.00 1.81 1.91 0.00 3.26 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 133 R 7.44 4.96 0.00 1.77 1.95 0.00 3.17 0.00 0.00 3.36 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 134 V 8.88 4.46 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 0.77 0.00 0.00 0.12 0.00 0.00 135 T 9.01 4.34 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 1.25 0.00 0.00 136 E 8.04 5.11 0.00 2.04 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 137 H 9.73 5.34 0.00 3.37 3.28 0.00 5.60 0.00 0.00 0.00 0.00 6.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 V 8.82 4.73 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 0.91 0.00 0.00 0.98 0.00 0.00 139 D 8.64 5.20 0.00 2.41 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 0.00 140 L 9.07 4.80 0.00 1.61 1.55 0.90 0.48 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 0.00 141 I 8.53 4.47 0.97 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 0.99 0.66 0.23 0.00 0.00 142 D 8.45 4.59 0.00 2.61 2.69 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 0.00 143 Y 7.78 4.41 0.00 3.08 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 0.00 144 Q 8.34 4.20 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 7.21 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 145 T 8.12 4.23 4.47 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 1.25 0.00 0.00 *147 S 8.22 4.52 0.00 4.12 4.01 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 0.00 148 D 8.38 4.43 0.00 2.85 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 0.00 149 Q 7.99 4.17 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.00 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 150 L 7.97 4.18 0.00 1.82 1.80 1.12 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 151 A 7.83 4.24 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *153 Q 8.13 4.07 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.60 0.00 0.00 0.00 0.00 0.00 2.27 2.50 0.00 * Residues marked with a * may have inaccurate shift predictions.