NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.9121 8.1648 122.9780 52.0131 19.0647 176.1247 *2 I 4.0645 8.0987 122.4132 62.2786 38.1678 176.2078 3 V 4.1993 8.5874 118.3414 61.9103 32.8650 176.3419 4 G 4.6463 7.4216 104.5519 46.0904 0.0000 172.2411 5 L 5.3107 8.6064 123.6367 53.0776 45.2516 175.7362 6 G 4.3124 9.0822 111.8193 45.1180 0.0000 171.2120 7 T 5.2698 8.2291 115.4013 60.7466 71.1630 172.1996 8 D 4.7455 8.7819 123.4233 53.2025 45.2412 173.7078 9 I 5.1023 8.4939 124.1066 59.1572 40.9400 174.1944 10 A 4.8928 9.2592 130.2939 50.0193 22.4707 174.7950 11 E 4.3810 8.8372 123.0247 55.3908 30.3078 177.2415 12 I 3.6899 8.4596 128.6646 64.5134 37.0853 178.0181 13 E 4.0390 8.0597 119.5746 59.3850 29.4014 178.9926 14 R 3.8187 7.6778 118.2612 59.0563 30.0312 179.1872 15 V 3.5412 7.5908 117.6389 65.8816 31.6260 177.7710 16 E 3.9914 8.3696 118.5036 59.4413 29.2031 179.5020 17 K 3.9222 8.2663 118.4424 59.3528 32.0308 179.2855 18 A 3.7173 7.8588 121.0255 55.0170 18.1334 179.7117 19 L 4.1354 8.1709 117.4050 57.8994 41.4769 179.5916 20 A 4.0921 7.9290 119.8323 54.3635 18.2841 179.4058 21 R 4.2065 7.3733 116.0052 58.4484 31.2757 178.2785 22 S 4.7155 8.4541 112.6279 56.0824 64.7955 176.0779 23 G 3.9685 8.6839 111.2123 46.0481 0.0000 176.3795 24 E 4.0327 9.0521 124.8317 59.1084 28.9359 177.6538 25 N 4.3684 7.9543 115.6131 55.9753 38.8450 176.9629 26 F 4.4403 8.2078 121.4124 61.3835 39.6644 176.9625 27 A 3.4140 8.0908 120.4338 55.1532 17.8389 179.7873 28 R 3.8498 8.0210 115.5713 58.9423 30.1603 179.0745 29 R 4.0236 7.5476 117.2156 58.7196 30.0346 178.2700 30 I 3.7136 7.1015 117.7622 61.5469 38.2489 175.9410 31 L 4.8037 7.3023 119.0048 52.8089 43.3876 176.7251 32 T 3.8780 8.8756 113.3350 61.1249 69.5326 175.0454 33 D 4.3948 8.7090 122.7121 57.9043 40.3859 179.5549 34 S 4.1634 7.6646 114.3403 61.3570 63.1809 176.1675 35 E 4.2055 8.2167 121.4778 58.3620 29.2882 178.9655 36 L 4.0263 7.5609 119.5868 57.4274 41.4216 179.0573 37 E 3.9576 7.6856 118.9907 59.7625 29.2651 179.5146 38 Q 4.0043 8.0019 115.9041 58.7153 29.1397 178.1138 39 F 2.8648 7.8543 121.4025 61.2968 39.1973 176.9462 40 H 3.9485 8.3396 114.3917 58.6037 28.5186 177.1749 41 A 4.0748 7.3505 121.0087 53.0329 18.7345 177.8979 42 S 4.1243 6.8127 111.8986 58.4334 62.8950 173.9175 43 K 4.4368 8.4423 123.3746 56.3871 33.1147 176.7820 44 Q 4.6415 8.0615 117.4256 54.0846 29.3672 176.2469 45 Q 4.0812 7.9597 119.8922 58.8026 29.1668 178.9730 46 G 3.7358 8.1540 106.3740 47.9379 0.0000 175.8082 47 R 3.9726 8.0235 120.4167 58.7576 30.3200 178.4626 48 F 4.0357 8.5900 120.7525 61.6170 39.3458 177.0736 49 L 4.1576 8.8746 119.8923 57.9700 41.8954 178.6175 50 A 4.0749 8.5223 121.2716 55.1724 18.3178 179.7143 51 K 3.9565 8.1137 116.9485 59.7799 32.0291 179.8594 52 R 3.8949 7.9007 117.9834 58.9023 29.8653 178.7655 53 F 3.9664 8.7300 120.7781 61.2537 39.3546 176.9494 54 A 4.5826 8.6126 121.3467 54.7137 18.1407 179.3824 55 A 3.8877 8.1063 119.1900 55.3273 18.3887 180.1032 56 K 3.5537 8.2987 117.2361 59.3939 32.2563 179.4922 57 E 3.5901 8.1755 118.7949 59.1829 29.3492 179.1716 58 A 3.8828 8.1876 120.8888 55.1751 18.4323 179.5435 59 A 3.7993 7.8960 119.6432 55.1979 18.2372 180.0558 60 S 4.0731 7.5285 112.7817 61.2758 62.9842 176.9523 61 K 3.9278 7.8398 121.7621 59.0860 31.8673 179.0468 62 A 4.1241 8.0582 121.1534 55.1558 18.0332 179.3992 63 L 4.0584 7.8288 117.9398 56.4178 42.2288 178.0393 64 G 3.9892 8.0290 106.3286 45.3283 0.0000 173.6521 65 T 4.2304 7.6482 108.9759 60.3628 70.7400 175.8954 66 G 3.8170 7.8585 110.6074 45.6695 0.0000 173.4402 67 I 3.8934 7.7373 119.0332 59.5832 36.0114 174.5838 68 A 4.1782 8.3562 126.6955 52.3017 22.4750 176.0278 69 Q 3.4715 9.8193 114.8834 57.1277 26.0814 175.7156 70 G 3.9272 8.4785 106.3510 45.2644 0.0000 174.6264 71 V 3.9320 7.6788 121.1287 62.5067 32.2312 175.0401 72 T 4.7355 8.3537 116.1391 59.2735 72.0645 174.7741 73 F 4.2897 8.6327 118.9125 60.9851 38.9110 177.2413 74 H 4.6145 7.8520 114.9665 57.5523 28.7326 175.7650 75 D 4.4647 7.8907 118.7546 54.2215 40.9388 175.4231 76 F 5.3278 7.8984 118.0821 55.8174 41.8530 174.6219 77 T 4.8287 9.1410 120.5237 61.7962 71.5432 172.9575 78 I 4.9157 8.8805 127.5980 60.0288 38.9696 175.2018 79 S 4.9806 8.9139 122.5844 57.4560 66.4419 172.4846 80 H 5.2322 8.6178 114.6171 54.7984 32.7033 173.1263 81 D 4.7921 8.7565 123.0433 51.8663 41.0922 177.2495 82 K 4.0520 8.5328 117.3160 59.5039 32.5015 177.5621 83 L 4.2999 8.2937 117.8995 54.6300 41.9125 177.3036 84 G 4.0029 8.0958 107.6583 44.3780 0.0000 173.8970 85 K 4.2136 8.0814 122.3467 55.8331 33.2067 174.1492 86 P 4.7669 0.0000 0.0000 62.6391 32.5770 175.4355 87 L 4.8694 8.9257 121.5213 52.8440 45.8129 175.0148 88 L 5.1871 8.5483 123.7907 53.3504 44.4027 175.3367 89 I 4.6222 8.8959 126.9497 59.5490 40.2190 174.7546 90 L 5.1167 8.4962 126.0192 53.7412 43.7855 175.4336 91 S 4.3356 8.4896 115.3042 57.1178 67.0605 174.5192 92 G 3.7903 8.7622 107.7005 46.3115 0.0000 175.6909 93 Q 3.8908 8.6485 118.8987 59.1478 28.8350 178.4847 94 A 3.8649 7.7326 121.0262 55.1432 18.3311 179.3536 95 A 3.8786 7.5975 118.7659 55.0754 18.4235 179.7045 96 E 3.8648 8.1237 117.1376 59.6091 29.5257 179.6478 97 L 3.9592 8.2219 119.0204 57.7386 41.6492 179.3374 98 A 3.9674 8.2059 120.9520 55.1988 18.2928 179.5739 99 S 4.0042 8.2926 111.7096 61.8112 62.2832 176.5403 100 Q 4.0560 7.9560 119.2652 58.6070 28.5174 177.9344 101 L 4.2382 7.9066 117.6017 54.3737 41.9724 176.7719 102 Q 3.5711 7.9605 116.9128 56.6159 26.6270 173.9257 103 V 3.8762 7.9198 118.0454 63.3473 31.8378 175.2280 104 E 4.7639 9.0664 125.2314 56.1072 32.0550 175.9388 105 N 5.0376 8.0139 116.4605 51.5028 43.1870 173.2788 106 I 4.9054 8.3346 123.2641 59.7580 40.2792 174.5161 107 H 5.0185 9.2396 123.5950 53.8793 32.0861 172.6369 108 L 5.1762 8.4514 123.2362 53.5250 45.2981 175.1545 109 S 4.8485 9.1555 119.4634 56.6801 66.1987 172.5469 110 I 5.0880 8.2443 124.3919 59.8852 40.8117 174.6629 111 S 4.6774 8.4180 117.9567 57.0400 65.4141 172.5368 112 D 5.0724 8.3674 124.0272 51.7697 42.6388 174.6525 113 E 4.6625 8.6670 117.5208 55.2051 31.9861 174.6531 114 R 3.9544 7.7437 117.3414 59.7997 30.2456 178.1204 115 H 4.6441 8.5991 112.3297 55.5948 30.9640 173.1694 116 Y 5.3015 7.9327 115.8209 56.0746 42.2836 174.3047 117 A 5.5802 9.1648 123.2925 49.0921 23.1855 174.7636 *119 A 4.5777 8.2324 118.8348 52.4947 20.4372 176.0309 120 T 5.1560 8.5749 115.3364 61.7771 73.0922 173.3763 121 V 4.9301 8.9315 124.4281 61.2103 35.2467 174.1612 122 I 5.0496 8.8600 127.5089 59.5128 40.9031 174.1672 123 L 5.2324 8.9727 126.9217 52.9668 44.0496 175.4021 124 E 5.1106 9.3227 121.2046 54.5066 33.5729 174.7860 125 R 4.8668 8.4082 116.9656 55.2864 33.2063 176.0042 126 R 4.1753 8.4718 118.5729 56.9081 30.9122 175.7745 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 0 A 8.16 4.91 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 *2 I 8.10 4.06 1.87 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 1.41 0.59 0.98 0.00 0.00 3 V 8.59 4.20 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 0.66 0.00 0.00 0.94 0.00 0.00 4 G 7.42 4.65 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 0.00 0.00 0.00 5 L 8.61 5.31 0.00 1.58 1.48 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 6 G 9.08 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 7 T 8.23 5.27 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 1.20 0.00 0.00 8 D 8.78 4.75 0.00 2.80 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 9 I 8.49 5.10 1.88 0.00 0.00 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 1.38 1.33 0.92 0.00 0.00 10 A 9.26 4.89 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.84 4.38 0.00 2.12 1.84 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 2.22 1.99 0.00 12 I 8.46 3.69 1.78 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 1.41 0.39 0.90 0.00 0.00 13 E 8.06 4.04 0.00 1.98 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 2.33 2.37 0.00 14 R 7.68 3.82 0.00 1.94 1.84 0.00 3.26 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 15 V 7.59 3.54 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 1.29 0.00 0.00 0.81 0.00 0.00 16 E 8.37 3.99 0.00 2.18 1.98 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 2.36 2.51 0.00 17 K 8.27 3.92 0.00 1.84 1.78 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.58 7.81 18 A 7.86 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.17 4.14 0.00 1.95 1.87 1.18 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.93 4.09 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.37 4.21 0.00 1.78 1.94 0.00 3.03 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.81 0.00 22 S 8.45 4.72 0.00 3.80 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 23 G 8.68 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 0.00 0.00 0.00 24 E 9.05 4.03 0.00 2.19 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 2.44 2.53 0.00 25 N 7.95 4.37 0.00 2.98 2.93 0.00 0.00 6.97 6.76 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 26 F 8.21 4.44 0.00 3.04 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 27 A 8.09 3.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.02 3.85 0.00 1.88 2.02 0.00 3.20 0.00 0.00 3.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 29 R 7.55 4.02 0.00 1.77 1.96 0.00 3.30 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.96 0.00 30 I 7.10 3.71 1.45 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.16 0.59 0.00 0.00 31 L 7.30 4.80 0.00 1.43 1.51 0.40 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.88 3.88 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 1.22 0.00 0.00 33 D 8.71 4.39 0.00 2.68 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 34 S 7.66 4.16 0.00 3.90 4.12 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 0.00 0.00 0.00 35 E 8.22 4.21 0.00 2.22 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 0.00 2.41 2.39 0.00 36 L 7.56 4.03 0.00 1.88 1.63 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 37 E 7.69 3.96 0.00 2.12 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 2.36 2.39 0.00 38 Q 8.00 4.00 0.00 2.26 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.05 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 39 F 7.85 2.86 0.00 2.66 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 40 H 8.34 3.95 0.00 3.23 3.24 0.00 5.70 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.35 4.07 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 42 S 6.81 4.12 0.00 3.58 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 43 K 8.44 4.44 0.00 1.73 1.75 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.29 1.38 7.81 44 Q 8.06 4.64 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 45 Q 7.96 4.08 0.00 1.96 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 1.57 2.16 0.00 46 G 8.15 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 47 R 8.02 3.97 0.00 2.07 2.04 0.00 3.16 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 48 F 8.59 4.04 0.00 3.31 3.39 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 0.00 49 L 8.87 4.16 0.00 2.07 1.88 0.65 0.92 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 50 A 8.52 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 51 K 8.11 3.96 0.00 1.91 1.81 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.07 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.50 7.81 52 R 7.90 3.89 0.00 2.00 1.97 0.00 3.25 0.00 0.00 2.97 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.73 0.00 53 F 8.73 3.97 0.00 3.19 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 54 A 8.61 4.58 1.46 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 55 A 8.11 3.89 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.30 3.55 0.00 1.95 1.84 0.00 1.86 0.00 0.00 2.16 0.00 0.00 3.10 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.57 1.65 7.81 57 E 8.18 3.59 0.00 1.99 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 2.00 1.90 0.00 58 A 8.19 3.88 1.39 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 0.00 0.00 0.00 59 A 7.90 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 7.53 4.07 0.00 4.04 3.73 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 K 7.84 3.93 0.00 1.94 1.84 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.54 7.81 62 A 8.06 4.12 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 63 L 7.83 4.06 0.00 1.87 1.96 1.01 1.20 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 64 G 8.03 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 65 T 7.65 4.23 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 1.21 0.00 0.00 66 G 7.86 3.82 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 0.00 0.00 0.00 67 I 7.74 3.89 1.65 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.02 0.64 0.00 0.00 68 A 8.36 4.18 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 69 Q 9.82 3.47 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.59 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 70 G 8.48 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 71 V 7.68 3.93 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 1.06 0.00 0.00 0.90 0.00 0.00 72 T 8.35 4.74 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 1.24 0.00 0.00 73 F 8.63 4.29 0.00 3.28 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 74 H 7.85 4.61 0.00 3.16 3.33 0.00 5.67 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 7.89 4.46 0.00 2.16 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 0.00 0.00 0.00 76 F 7.90 5.33 0.00 2.93 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 77 T 9.14 4.83 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 78 I 8.88 4.92 1.85 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 1.25 0.42 0.80 0.00 0.00 79 S 8.91 4.98 0.00 3.83 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 80 H 8.62 5.23 0.00 3.10 3.21 0.00 5.89 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 81 D 8.76 4.79 0.00 2.90 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 82 K 8.53 4.05 0.00 1.90 2.00 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.47 7.81 83 L 8.29 4.30 0.00 1.76 1.75 0.93 1.22 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 84 G 8.10 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 0.00 0.00 0.00 85 K 8.08 4.21 0.00 1.87 2.05 0.00 1.73 0.00 0.00 1.88 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.46 7.81 86 P 0.00 4.77 0.00 2.04 1.97 0.00 3.77 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 2.17 1.99 0.00 87 L 8.93 4.87 0.00 1.49 1.52 0.92 0.42 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 88 L 8.55 5.19 0.00 1.60 1.52 1.05 1.01 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 89 I 8.90 4.62 1.88 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 0.97 0.90 0.00 0.00 90 L 8.50 5.12 0.00 1.47 1.46 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.49 4.34 0.00 3.78 3.86 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 92 G 8.76 3.79 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 0.00 0.00 0.00 93 Q 8.65 3.89 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 94 A 7.73 3.86 0.94 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 95 A 7.60 3.88 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 96 E 8.12 3.86 0.00 2.14 1.98 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 2.46 2.47 0.00 97 L 8.22 3.96 0.00 1.65 1.70 0.91 0.67 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 98 A 8.21 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 99 S 8.29 4.00 0.00 3.94 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 0.00 100 Q 7.96 4.06 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 101 L 7.91 4.24 0.00 1.75 1.71 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 7.96 3.57 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 103 V 7.92 3.88 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 0.80 0.00 0.00 0.97 0.00 0.00 104 E 9.07 4.76 0.00 1.83 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 2.22 2.24 0.00 105 N 8.01 5.04 0.00 2.69 2.60 0.00 0.00 6.92 7.22 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 0.00 106 I 8.33 4.91 1.83 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 1.34 0.59 0.91 0.00 0.00 107 H 9.24 5.02 0.00 3.09 3.17 0.00 5.75 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 0.00 108 L 8.45 5.18 0.00 1.55 1.45 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 109 S 9.16 4.85 0.00 3.89 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 0.00 110 I 8.24 5.09 1.87 0.00 0.00 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 1.21 0.77 0.91 0.00 0.00 111 S 8.42 4.68 0.00 3.81 3.65 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 0.00 112 D 8.37 5.07 0.00 2.94 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 0.00 113 E 8.67 4.66 0.00 2.05 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 2.37 0.00 114 R 7.74 3.95 0.00 1.78 1.91 0.00 3.07 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.52 0.00 115 H 8.60 4.64 0.00 3.15 2.60 0.00 5.81 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 7.93 5.30 0.00 2.91 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 0.00 117 A 9.16 5.58 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 A 8.23 4.58 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 0.00 120 T 8.57 5.16 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 1.22 0.00 0.00 121 V 8.93 4.93 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 1.02 0.00 0.00 0.87 0.00 0.00 122 I 8.86 5.05 1.91 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 1.22 0.69 0.92 0.00 0.00 123 L 8.97 5.23 0.00 1.57 1.56 0.97 0.69 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 0.00 124 E 9.32 5.11 0.00 1.98 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 2.37 2.25 0.00 125 R 8.41 4.87 0.00 2.02 2.08 0.00 3.05 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 126 R 8.47 4.18 0.00 1.95 1.98 0.00 3.32 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 * Residues marked with a * may have inaccurate shift predictions.