NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.4822 8.2227 120.5225 54.2923 42.2337 174.2061 2 V 4.0517 8.0030 122.0333 61.5624 33.9524 173.0272 3 Q 4.5493 10.4745 132.3949 54.0009 30.6231 170.9060 4 L 4.9724 8.5816 125.2532 52.3338 43.2133 176.2368 5 V 4.3902 8.7600 126.2454 61.1464 33.1079 174.4418 6 E 5.4608 8.6061 126.2011 55.5894 32.9117 175.3781 7 S 4.5876 9.2538 114.3955 58.4819 66.4259 175.4975 8 G 3.8270 9.2207 108.8240 45.5077 0.0000 173.7364 9 G 4.3660 7.0436 107.7873 44.6348 0.0000 172.7838 10 G 3.7735 7.2433 105.2635 44.7142 0.0000 170.7495 11 S 5.1763 8.1022 114.8285 56.4964 64.4944 174.3919 12 V 4.5197 8.6334 125.7192 61.1250 35.6285 173.2906 13 Q 4.9648 8.3230 123.3256 53.6204 31.2553 174.4888 14 A 4.3159 8.6462 128.0786 54.3413 18.7481 177.6576 15 G 3.9870 8.7237 110.5431 45.2486 0.0000 174.2383 16 G 3.9397 8.1162 107.0426 46.1055 0.0000 172.2986 17 S 5.2085 8.2559 112.6713 56.8906 66.0624 173.3248 18 L 4.5088 8.4068 124.0309 53.7659 45.8437 173.8939 19 R 4.8708 8.3228 124.3451 54.5143 32.6307 174.4425 20 L 4.8908 8.4117 125.7275 53.2313 44.8548 175.5266 21 S 5.3764 8.9380 116.5243 57.0815 67.2185 172.4622 22 C 5.1373 9.4097 123.9535 54.6923 45.6770 172.3533 23 A 4.6684 9.3950 130.5336 51.2063 19.6448 175.8662 24 V 4.3400 8.2624 123.7671 61.4594 32.8291 175.1616 25 S 4.4285 9.0582 123.0139 57.1562 65.5999 174.3508 26 G 3.7804 9.0652 116.3664 47.9166 0.0000 174.1788 27 S 4.4480 7.8562 116.9517 56.6905 61.5971 176.9310 28 T 4.2243 8.2736 117.2930 62.2144 69.4604 174.8263 29 Y 4.2575 7.7580 122.8602 55.8605 39.8300 174.6326 30 S 4.0135 7.3920 119.4632 56.6020 63.3062 171.9747 31 P 4.1935 0.0000 0.0000 64.0300 30.8614 175.9020 32 C 5.1352 8.5369 117.9426 55.4874 40.5638 172.7062 33 T 4.7489 8.6204 116.5900 62.7886 69.8931 174.4610 34 T 4.7161 8.7494 123.1796 61.9193 71.7392 173.8183 35 G 4.7707 8.5592 112.0578 44.7466 0.0000 170.7844 36 W 5.8641 9.6341 118.5452 55.0070 33.2636 175.3670 37 V 5.1887 9.6413 117.0743 59.5826 34.8466 174.8819 38 R 4.9901 9.1285 120.7040 54.3004 32.9273 174.4530 39 Q 4.9805 9.1123 121.9694 54.4880 31.5410 173.9563 40 A 5.0751 8.4367 128.7176 48.9528 22.4636 173.4440 41 P 4.3198 0.0000 0.0000 64.3614 31.6075 176.7822 42 G 4.0351 10.2510 113.6536 45.8111 0.0000 174.2607 43 K 4.4956 7.3813 116.4539 52.7937 35.8205 182.8973 44 G 3.9842 8.2816 106.3310 45.2282 0.0000 172.3881 45 L 4.4679 8.3329 119.1293 54.7885 42.3564 176.2880 46 E 4.8851 9.0672 120.5526 54.4876 33.3565 174.1437 47 W 4.5951 9.0550 133.1240 58.0602 31.2137 175.2349 48 V 3.8414 9.0843 128.0106 64.2230 32.1982 175.2025 49 S 4.2640 7.0756 112.3695 57.5593 65.3901 172.7604 50 S 5.2761 8.8567 118.7329 57.2446 68.1442 173.2006 51 I 4.9040 8.8393 122.6471 59.3514 40.2926 175.8435 52 S 4.5086 9.0119 125.8387 58.9361 63.7456 175.0389 *53 S 5.0028 8.4125 123.5456 58.5722 59.4056 175.1088 54 P 4.3723 0.0000 0.0000 63.2908 31.2063 176.9639 55 G 3.9635 7.6367 104.1291 45.4125 0.0000 174.5868 56 T 4.0228 8.1560 117.5223 64.2721 69.5874 172.9987 57 I 4.9803 8.5151 128.0357 60.3227 40.1976 175.0195 *58 Y 4.9394 8.9566 127.1880 55.9012 40.7589 171.2084 59 Y 5.0361 8.4535 117.8265 55.7700 42.9512 174.4414 60 Q 4.4182 8.5379 124.9063 56.1758 29.6430 176.4849 61 D 4.5158 8.6613 127.1602 57.8030 41.1226 179.4225 62 S 4.1554 8.0212 111.3331 60.1687 63.3794 174.9191 63 V 3.8319 7.9110 113.5792 60.4301 32.2364 175.4409 64 K 3.8876 7.3971 121.0473 57.6172 32.4167 175.3035 65 G 4.1850 8.7696 112.1387 45.8333 0.0000 174.7241 66 R 4.2755 7.6669 117.5930 57.0282 30.9594 175.9796 67 F 5.6774 7.9486 115.2238 56.0874 41.6686 175.8023 68 T 5.4294 8.7108 117.4716 61.1331 72.5147 172.6113 69 I 5.1816 8.9838 126.6057 59.4609 40.3205 174.3001 70 S 4.9437 9.2743 122.3594 57.2220 67.1641 172.3603 71 R 5.0106 8.4864 118.8103 54.9240 33.4251 173.8177 72 D 4.8521 8.9451 124.8043 52.4141 42.6006 176.1607 73 N 4.3618 8.9748 123.9701 55.7490 39.0231 176.6974 74 A 4.0725 7.9014 121.7646 55.2101 18.6808 179.1183 75 K 4.2130 8.2307 112.8319 56.3886 32.9912 176.5489 76 N 4.1334 7.6000 116.4259 55.1683 37.9246 173.2670 77 T 5.0397 7.7944 112.7187 61.6208 73.0905 174.4911 78 V 4.6343 8.2520 124.6581 61.2816 34.3980 173.9062 79 Y 5.5391 8.9991 124.6168 56.2092 41.8663 174.5882 80 L 4.9150 8.4841 123.5968 53.3424 45.2597 174.9283 81 Q 4.3513 9.4399 129.6602 55.4316 30.6623 174.1904 82 M 4.0797 8.8205 126.8686 53.5714 34.1423 174.8587 83 N 5.0239 8.9020 121.4183 51.4086 41.2537 174.8911 84 S 3.6074 8.6143 113.4814 58.7524 60.9065 173.2361 85 L 4.0724 7.6245 119.2944 55.7102 41.9230 177.8034 86 Q 4.6771 9.9697 124.2490 54.3094 30.5115 177.1679 87 R 4.1560 8.7779 119.2811 58.8828 30.1429 178.1674 88 E 4.2085 8.1201 113.7332 58.1246 29.6945 176.8499 89 D 4.8058 8.0281 118.8460 54.8863 41.3645 176.9299 90 T 4.2937 7.7046 116.7574 62.9450 69.1571 175.0222 91 G 3.9627 7.8829 111.6945 45.3478 0.0000 170.1246 92 M 4.7303 8.2093 120.1458 54.2592 34.0673 174.9799 93 Y 5.2661 9.0146 124.0108 56.5477 40.9045 174.3480 94 Y 5.8970 10.0046 121.6611 55.4059 42.1952 172.2748 95 C 4.9563 9.1830 117.3620 53.8325 44.1592 172.3578 96 Q 4.9407 8.5503 117.8426 54.5002 32.2216 173.7148 97 I 5.0277 8.1813 112.8410 59.2243 41.3078 174.3738 98 Q 4.7765 9.0643 123.2728 54.5753 31.9006 173.6420 99 C 5.0853 9.4148 122.9863 54.6974 42.4097 174.2456 100 G 4.1458 8.1237 116.1455 46.0506 0.0000 172.3230 101 V 4.1905 7.6499 120.8593 61.5339 31.5078 174.7460 *104 I 3.8496 7.7001 115.6183 59.4379 37.1247 177.0140 105 R 4.6512 8.0545 122.9729 53.1604 32.9405 174.6232 106 E 5.3938 8.1231 120.7917 53.6098 32.6974 174.5911 107 Y 4.7558 7.9781 117.6094 56.0315 42.2802 174.3186 108 W 5.3538 8.8929 120.0178 55.0667 33.2336 175.8589 109 G 4.6733 8.4802 110.7443 44.0350 0.0000 173.8253 110 Q 4.1625 8.6368 117.4376 57.8330 28.9407 177.2489 111 G 3.7832 8.6786 103.3852 44.5510 0.0000 172.6596 112 T 4.6020 8.5584 114.2368 60.0393 70.9286 172.8051 113 Q 4.6579 8.7487 130.1433 56.0593 30.8673 174.7460 114 V 4.7220 9.0041 125.3230 61.7676 34.8228 174.3677 115 T 4.6348 8.7535 126.5690 62.0823 70.2349 174.4940 116 V 4.3615 8.3818 128.8905 61.2523 31.6793 176.1874 117 S 4.4068 8.6490 122.5339 58.5529 62.2623 174.2920 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 D 8.22 4.48 0.00 2.69 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 2 V 8.00 4.05 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 0.37 0.00 0.00 0.49 0.00 0.00 3 Q 10.47 4.55 0.00 1.66 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.54 0.00 0.00 0.00 0.00 0.00 2.21 2.19 0.00 4 L 8.58 4.97 0.00 1.51 1.59 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.76 4.39 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 1.02 0.00 0.00 0.94 0.00 0.00 6 E 8.61 5.46 0.00 2.43 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 0.00 2.27 1.84 0.00 7 S 9.25 4.59 0.00 3.90 4.05 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 8 G 9.22 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 9 G 7.04 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 0.00 0.00 0.00 10 G 7.24 3.77 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 0.00 0.00 0.00 11 S 8.10 5.18 0.00 3.85 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 12 V 8.63 4.52 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 0.85 0.00 0.00 0.86 0.00 0.00 13 Q 8.32 4.96 0.00 2.24 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.33 1.90 0.00 14 A 8.65 4.32 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 15 G 8.72 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 16 G 8.12 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 17 S 8.26 5.21 0.00 3.77 3.60 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 18 L 8.41 4.51 0.00 1.55 1.16 0.77 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.32 4.87 0.00 1.66 1.62 0.00 3.05 0.00 0.00 2.83 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.53 0.00 20 L 8.41 4.89 0.00 0.76 1.08 0.07 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.94 5.38 0.00 3.91 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 22 C 9.41 5.14 0.00 2.41 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 23 A 9.39 4.67 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 8.26 4.34 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 0.67 0.00 0.00 0.83 0.00 0.00 25 S 9.06 4.43 0.00 3.83 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 26 G 9.07 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 27 S 7.86 4.45 0.00 3.64 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 28 T 8.27 4.22 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 29 Y 7.76 4.26 0.00 2.93 2.88 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 30 S 7.39 4.01 0.00 3.85 3.56 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 31 P 0.00 4.19 0.00 2.46 2.12 0.00 3.58 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 1.99 1.64 0.00 32 C 8.54 5.14 0.00 2.84 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.62 4.75 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 1.29 0.00 0.00 34 T 8.75 4.72 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 1.07 0.00 0.00 35 G 8.56 4.77 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 0.00 0.00 0.00 36 W 9.63 5.86 0.00 3.28 3.28 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 37 V 9.64 5.19 2.29 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 1.12 0.00 0.00 1.30 0.00 0.00 38 R 9.13 4.99 0.00 1.06 0.87 0.00 2.82 0.00 0.00 3.09 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.40 0.00 39 Q 9.11 4.98 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 40 A 8.44 5.08 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.32 0.00 2.20 2.10 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 42 G 10.25 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 43 K 7.38 4.50 0.00 1.72 1.64 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 1.00 7.81 44 G 8.28 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 45 L 8.33 4.47 0.00 1.64 1.63 0.78 0.71 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 46 E 9.07 4.89 0.00 2.15 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 2.19 2.13 0.00 47 W 9.05 4.60 0.00 3.37 3.28 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 48 V 9.08 3.84 2.35 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 1.16 0.00 0.00 1.04 0.00 0.00 49 S 7.08 4.26 0.00 3.96 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 50 S 8.86 5.28 0.00 4.25 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 51 I 8.84 4.90 1.91 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 1.31 1.63 0.98 0.00 0.00 52 S 9.01 4.51 0.00 4.03 3.97 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 *53 S 8.41 5.00 0.00 3.73 4.32 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 54 P 0.00 4.37 0.00 2.32 2.15 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.59 0.00 55 G 7.64 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 56 T 8.16 4.02 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 1.24 0.00 0.00 57 I 8.52 4.98 1.85 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.85 0.53 0.00 0.00 *58 Y 8.96 4.94 0.00 1.94 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 0.00 0.00 0.00 0.00 59 Y 8.45 5.04 0.00 2.93 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 60 Q 8.54 4.42 0.00 2.15 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.65 0.00 0.00 0.00 0.00 0.00 2.35 2.21 0.00 61 D 8.66 4.52 0.00 2.67 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 62 S 8.02 4.16 0.00 3.89 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 63 V 7.91 3.83 0.82 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 -0.12 0.00 0.00 0.79 0.00 0.00 64 K 7.40 3.89 0.00 1.89 1.64 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.26 7.81 65 G 8.77 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.67 4.28 0.00 1.89 2.34 0.00 3.20 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.21 0.00 67 F 7.95 5.68 0.00 2.82 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 68 T 8.71 5.43 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 1.32 0.00 0.00 69 I 8.98 5.18 2.02 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.27 0.86 0.00 0.00 70 S 9.27 4.94 0.00 4.00 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 71 R 8.49 5.01 0.00 1.81 1.80 0.00 3.16 0.00 0.00 3.14 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.73 0.00 72 D 8.95 4.85 0.00 2.90 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 73 N 8.97 4.36 0.00 2.76 2.87 0.00 0.00 7.13 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 74 A 7.90 4.07 1.41 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 0.00 0.00 75 K 8.23 4.21 0.00 1.79 1.89 0.00 2.03 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.60 7.81 76 N 7.60 4.13 0.00 3.00 2.75 0.00 0.00 6.89 7.10 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 77 T 7.79 5.04 3.97 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 0.60 0.00 0.00 78 V 8.25 4.63 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 1.28 0.00 0.00 0.88 0.00 0.00 79 Y 9.00 5.54 0.00 2.96 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 80 L 8.48 4.92 0.00 1.06 0.61 1.00 0.36 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 81 Q 9.44 4.35 0.00 2.11 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.51 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 82 M 8.82 4.08 0.00 1.19 1.52 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.81 0.00 83 N 8.90 5.02 0.00 2.75 2.72 0.00 0.00 7.22 7.07 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 84 S 8.61 3.61 0.00 3.99 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.62 4.07 0.00 1.73 1.67 0.80 0.63 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 86 Q 9.97 4.68 0.00 2.25 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.16 0.00 87 R 8.78 4.16 0.00 1.85 1.95 0.00 3.23 0.00 0.00 3.36 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 88 E 8.12 4.21 0.00 2.39 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 0.00 2.27 1.90 0.00 89 D 8.03 4.81 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.70 4.29 4.29 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 1.33 0.00 0.00 91 G 7.88 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 0.00 0.00 0.00 92 M 8.21 4.73 0.00 2.18 1.95 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.39 0.00 93 Y 9.01 5.27 0.00 2.96 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 94 Y 10.00 5.90 0.00 3.10 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 95 C 9.18 4.96 0.00 1.91 1.18 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 0.00 0.00 0.00 0.00 96 Q 8.55 4.94 0.00 1.21 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 2.23 2.12 0.00 97 I 8.18 5.03 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 1.23 0.72 0.79 0.00 0.00 98 Q 9.06 4.78 0.00 1.88 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 99 C 9.41 5.09 0.00 2.78 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 0.00 100 G 8.12 4.15 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 0.00 0.00 0.00 101 V 7.65 4.19 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 0.75 0.00 0.00 1.03 0.00 0.00 *104 I 7.70 3.85 1.87 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 1.41 0.82 0.91 0.00 0.00 105 R 8.05 4.65 0.00 1.74 1.53 0.00 3.14 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.40 0.00 106 E 8.12 5.39 0.00 1.51 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 2.15 1.71 0.00 107 Y 7.98 4.76 0.00 2.82 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 0.00 108 W 8.89 5.35 0.00 3.31 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 0.00 109 G 8.48 4.67 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 0.00 110 Q 8.64 4.16 0.00 2.39 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.90 0.00 0.00 0.00 0.00 0.00 2.36 1.92 0.00 111 G 8.68 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 0.00 112 T 8.56 4.60 4.32 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 1.39 0.00 0.00 113 Q 8.75 4.66 0.00 2.23 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.62 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 114 V 9.00 4.72 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 0.83 0.00 0.00 0.58 0.00 0.00 115 T 8.75 4.63 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 0.00 116 V 8.38 4.36 2.15 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 0.99 0.00 0.00 0.97 0.00 0.00 117 S 8.65 4.41 0.00 3.87 3.77 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 * Residues marked with a * may have inaccurate shift predictions.