NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2085 8.1233 123.5728 52.5646 20.9989 178.8949 3 T 3.9118 8.1127 112.3690 66.8223 68.4527 173.6484 4 E 4.1413 8.6032 121.1661 61.7720 30.0429 181.2686 5 K 4.0583 7.8216 123.7982 60.0036 31.7547 180.8440 6 Y 4.2611 7.6310 118.2089 61.0179 37.7501 178.2753 7 H 4.0538 8.3300 117.1551 59.1341 28.8871 177.6858 8 E 3.9711 8.2676 120.1114 59.3124 29.2111 179.5078 9 I 3.5769 7.7557 119.9316 64.3358 37.1716 178.4984 10 L 3.3572 7.6296 119.7764 57.3999 41.2268 179.7500 11 K 4.0619 7.8461 118.4494 59.3436 32.0598 179.5529 12 K 3.8951 8.0271 118.8434 59.3560 31.6708 178.6785 13 Y 4.0312 7.5693 118.9165 60.7793 39.0830 177.9098 14 F 4.2276 7.7947 118.4827 60.7138 39.0537 177.8171 15 L 4.2004 8.3680 118.4965 57.7193 41.2888 179.6454 16 S 3.7770 7.8813 114.9911 61.1662 62.2430 176.4831 17 F 4.2762 8.0863 119.4292 60.0202 38.6675 177.0417 18 E 4.2641 8.2503 118.3138 58.5038 29.3223 177.5933 19 T 4.3343 7.8155 106.5113 60.5081 70.8461 175.2135 20 G 3.7540 8.4265 109.4866 45.3954 0.0000 172.7489 21 D 4.6459 7.4027 119.0344 52.8027 40.8904 175.6350 22 F 4.4992 8.6283 124.7921 57.1494 39.3683 178.3291 23 S 4.2870 8.3576 117.3143 61.1550 62.7638 175.3637 24 Q 4.1844 7.9089 117.6597 56.4784 29.0076 175.9151 25 V 3.6202 7.5337 118.9255 62.2089 32.2372 175.4759 26 Q 4.2927 8.2636 125.9015 55.4944 29.2331 174.5341 27 F 5.4886 8.5681 122.7397 55.4950 41.9644 175.8709 28 S 4.7480 9.5153 117.7621 58.0110 63.0715 175.0364 29 C 4.2644 9.1430 120.1667 60.8063 29.4628 174.2370 30 N 4.8062 8.0048 116.8086 52.7537 38.4510 174.5470 31 L 4.2807 7.7642 121.7626 56.1552 43.0953 175.9670 32 E 5.2869 9.4435 124.2370 54.6095 34.3486 174.3230 33 F 4.7738 8.9425 124.0513 56.3508 42.7604 173.4641 34 L 4.4441 7.8807 129.6198 53.5839 41.6873 175.9138 35 S 4.6541 8.4335 121.9089 57.0435 63.1179 173.2728 36 P 4.5600 0.0000 0.0000 64.7281 31.3600 176.8601 37 I 4.3732 7.4460 111.7438 60.2262 37.7020 175.0350 38 S 4.5549 7.4523 112.1557 57.4766 65.4230 174.8131 39 G 3.6637 8.6455 115.4190 48.2762 0.0000 174.1310 40 N 4.6131 7.5443 117.3912 52.1964 39.4092 175.2436 41 T 4.2384 8.1523 112.6187 61.7189 70.0003 173.9342 42 L 4.4223 8.9505 123.9870 54.5321 42.2819 176.0536 43 K 4.6817 9.2179 122.2184 55.6271 34.9350 177.2357 44 G 4.1868 9.5103 112.0291 45.5019 0.0000 174.2149 45 T 3.5331 8.1172 109.5712 64.4162 68.2956 176.2084 46 E 3.8450 8.1445 119.3099 58.9598 29.1040 178.1190 47 E 4.2792 7.4843 118.6343 58.0217 30.3668 178.5964 48 V 3.2090 7.8162 118.5343 65.8864 31.6160 178.1828 49 I 3.2261 7.6845 119.7774 63.8490 37.0511 176.5520 50 P 4.2194 0.0000 0.0000 65.4446 31.0922 178.4211 51 F 4.1003 7.5930 118.9880 61.2841 39.3362 177.2336 52 L 3.4945 7.6003 118.5518 57.5041 41.0617 179.5864 53 K 4.0277 7.9780 117.7984 59.3375 32.1345 179.2599 54 G 3.6106 7.6821 105.3840 47.8354 0.0000 175.8987 55 V 3.1564 7.2213 121.3206 65.5772 31.4769 178.1616 56 T 4.0510 8.0888 109.7292 64.8317 68.2346 176.4040 57 T 4.0473 7.5669 111.9667 63.7349 68.8777 175.0954 58 R 4.6439 7.9541 120.2133 55.5825 30.5007 174.9268 59 V 4.9767 7.7812 117.9346 61.3485 33.2689 174.4862 60 A 4.5442 9.2615 130.5591 53.4999 20.0663 176.3649 61 E 4.9166 7.8915 113.5733 54.4112 32.8271 175.2614 62 V 4.7315 8.4391 121.6324 61.1809 34.7754 174.2098 63 N 5.0041 9.2965 125.5742 52.1042 41.7844 173.8772 64 I 4.5621 8.5210 127.0904 60.4184 39.2798 175.0403 *66 S 4.5462 8.3254 117.3511 58.7326 64.5892 172.6678 67 T 5.3623 8.4361 109.4676 60.5088 71.9969 173.2300 68 T 4.8242 9.3067 119.9963 61.9709 72.7736 172.9905 69 V 4.6438 8.5108 125.1232 61.2425 34.5755 175.2553 70 E 4.5222 9.2486 128.2622 53.4959 29.7873 172.2757 71 Y 4.0316 8.3118 123.6675 57.5284 39.5148 174.5350 72 P 3.4957 0.0000 0.0000 62.6058 32.6555 175.2876 73 R 4.7815 7.8708 119.6457 55.5940 32.5105 175.0424 74 A 5.1239 8.3468 121.9727 51.4936 23.4262 175.1030 75 S 5.2757 9.4910 113.1599 57.7406 67.0667 173.4861 76 G 4.8864 9.4232 106.9532 45.2152 0.0000 171.8073 77 V 5.1413 8.5961 124.2226 60.7915 33.1563 174.7839 78 W 5.1493 8.9379 123.6818 56.0874 32.1783 172.8759 79 Q 4.7777 8.7722 117.8977 53.2121 32.9682 173.6601 *81 R 4.3750 8.4252 118.6734 56.8344 31.4859 176.2563 82 T 4.7962 8.5040 117.1803 61.5423 69.9621 175.6147 83 T 4.1184 8.9326 112.3796 63.7045 68.8298 175.3129 84 K 4.1448 7.9846 120.3816 56.4480 32.6379 177.1848 85 G 4.0100 8.0157 106.7450 45.0530 0.0000 173.6568 86 T 3.9848 7.7120 117.4993 62.5941 69.8051 173.5525 87 L 4.3762 8.1136 128.8597 54.1513 42.7420 174.9984 88 Y 4.7075 8.0230 124.2051 56.9120 40.4387 174.5996 89 T 4.7105 8.5185 119.6421 61.7378 71.3854 173.2331 90 L 4.6353 8.9183 126.1144 52.9833 45.6586 175.3645 91 H 5.4424 8.5384 120.7392 54.5721 31.6233 171.9209 92 N 4.7801 9.4024 123.8226 52.4368 40.1220 174.0003 93 F 5.0082 8.7535 125.9648 56.8475 41.5352 174.5226 94 F 5.3634 8.3855 123.5034 55.7535 43.4445 173.9345 95 R 4.9920 8.8094 119.4377 54.4252 33.4955 174.8646 96 L 5.3357 8.6554 121.4435 53.2294 45.4541 175.8107 97 D 5.0291 9.1377 122.0063 51.4305 42.3506 176.4287 98 E 4.2259 9.0654 113.6565 58.8246 29.6883 173.1322 99 E 4.5612 8.4673 114.8441 56.2689 31.2287 175.8676 100 G 4.2401 7.5831 105.2596 44.3486 0.0000 175.7767 101 I 4.4864 9.4266 128.1050 60.8220 37.6358 175.8486 102 V 4.7277 9.0038 125.3338 61.7637 34.0829 174.7405 103 Y 5.9249 7.7972 122.0473 56.3768 42.5212 173.4130 104 V 4.5352 7.7448 124.9922 60.8157 35.3813 173.8177 105 W 5.0515 8.9185 135.0000 55.0105 32.9785 172.6349 106 P 4.9849 0.0000 0.0000 61.8666 32.6168 175.4751 *108 F 4.5458 8.2956 117.5471 56.9068 39.9281 174.9441 109 D 4.5007 9.0030 124.8635 53.8786 41.6408 174.9401 110 P 4.4952 0.0000 0.0000 64.9422 32.1097 178.5370 111 K 3.9591 8.1638 118.2575 59.6060 32.0525 178.2543 112 A 4.0522 7.9804 119.7097 55.2243 18.1605 179.0061 113 V 3.8602 7.5826 111.3138 63.9893 30.9921 177.3475 *115 E 4.3173 8.1726 119.2553 56.0342 31.1524 176.3209 116 N 5.0003 7.6021 114.7999 51.7492 40.1702 171.5607 117 P 4.4864 0.0000 0.0000 65.2487 32.3523 178.6597 118 D 4.4273 8.3152 117.4873 57.3131 40.6190 178.2713 119 A 4.1073 8.1232 121.0162 55.1886 18.2834 179.4329 120 L 4.0942 7.7024 118.7289 57.9519 42.1666 179.0653 121 I 3.7688 7.8004 118.0244 64.2225 37.8729 177.6027 122 Q 4.2896 8.5394 119.1709 58.8322 28.3459 178.6909 123 W 4.0471 8.6615 128.7523 60.2433 30.8629 177.8877 124 L 3.7208 8.3305 118.6943 57.9672 41.2379 179.2073 125 T 4.1965 8.1493 108.4625 62.2837 69.2225 176.0642 126 G 3.7984 8.4490 110.7832 45.5740 0.0000 173.7892 127 K 4.2533 7.8900 122.0628 54.7932 32.1768 181.5701 128 D 4.5647 8.7987 123.3229 54.5959 38.3278 173.2903 129 Y 4.3023 8.2179 125.1621 57.8897 38.8469 174.8958 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 A 8.12 4.21 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 3 T 8.11 3.91 4.30 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 1.32 0.00 0.00 4 E 8.60 4.14 0.00 1.97 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 2.32 1.96 0.00 5 K 7.82 4.06 0.00 1.75 1.85 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.11 7.81 6 Y 7.63 4.26 0.00 3.15 2.91 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 7 H 8.33 4.05 0.00 3.37 3.35 0.00 5.62 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 8 E 8.27 3.97 0.00 2.06 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 2.50 2.46 0.00 9 I 7.76 3.58 1.92 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.64 0.72 0.00 0.00 10 L 7.63 3.36 0.00 1.48 0.94 0.57 -0.55 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 11 K 7.85 4.06 0.00 1.94 1.89 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.57 1.66 7.81 12 K 8.03 3.90 0.00 1.86 1.77 0.00 1.59 0.00 0.00 1.50 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.55 7.81 13 Y 7.57 4.03 0.00 2.73 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 14 F 7.79 4.23 0.00 3.15 2.74 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 15 L 8.37 4.20 0.00 1.68 1.74 0.95 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.88 3.78 0.00 3.01 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 17 F 8.09 4.28 0.00 3.48 3.41 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 18 E 8.25 4.26 0.00 2.09 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 2.45 2.51 0.00 19 T 7.82 4.33 4.19 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 1.19 0.00 0.00 20 G 8.43 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 0.00 0.00 0.00 21 D 7.40 4.65 0.00 2.58 2.51 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 22 F 8.63 4.50 0.00 3.26 3.31 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 23 S 8.36 4.29 0.00 4.03 4.06 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 24 Q 7.91 4.18 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 25 V 7.53 3.62 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 0.05 0.00 0.00 0.96 0.00 0.00 26 Q 8.26 4.29 0.00 1.94 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.63 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 27 F 8.57 5.49 0.00 3.00 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 28 S 9.52 4.75 0.00 4.19 3.90 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 29 C 9.14 4.26 0.00 3.16 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 30 N 8.00 4.81 0.00 2.80 2.91 0.00 0.00 6.90 7.45 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 31 L 7.76 4.28 0.00 2.05 1.55 1.13 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 32 E 9.44 5.29 0.00 2.20 1.90 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 2.27 2.48 0.00 33 F 8.94 4.77 0.00 3.01 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 34 L 7.88 4.44 0.00 1.08 0.91 0.66 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.43 4.65 0.00 3.74 3.58 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 36 P 0.00 4.56 0.00 2.33 2.38 0.00 4.09 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 37 I 7.45 4.37 1.87 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.53 0.97 0.00 0.00 38 S 7.45 4.55 0.00 3.76 3.61 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 39 G 8.65 3.66 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 0.00 0.00 0.00 40 N 7.54 4.61 0.00 2.65 2.71 0.00 0.00 7.08 7.43 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 41 T 8.15 4.24 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 1.21 0.00 0.00 42 L 8.95 4.42 0.00 1.58 1.52 0.42 0.51 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 43 K 9.22 4.68 0.00 1.63 1.68 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.50 7.81 44 G 9.51 4.19 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 0.00 45 T 8.12 3.53 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 0.83 0.00 0.00 46 E 8.14 3.85 0.00 2.10 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 0.00 2.23 2.33 0.00 47 E 7.48 4.28 0.00 2.28 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 2.20 2.29 0.00 48 V 7.82 3.21 1.83 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 0.72 0.00 0.00 0.89 0.00 0.00 49 I 7.68 3.23 1.80 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.49 0.77 0.00 0.00 50 P 0.00 4.22 0.00 2.10 2.06 0.00 3.56 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 2.20 2.08 0.00 51 F 7.59 4.10 0.00 2.83 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 52 L 7.60 3.49 0.00 0.95 0.86 0.69 0.90 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 53 K 7.98 4.03 0.00 1.64 1.83 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.70 1.50 7.81 54 G 7.68 3.61 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 0.00 0.00 0.00 55 V 7.22 3.16 1.83 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 0.53 0.00 0.00 0.06 0.00 0.00 56 T 8.09 4.05 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 1.36 0.00 0.00 57 T 7.57 4.05 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 1.23 0.00 0.00 58 R 7.95 4.64 0.00 1.73 1.81 0.00 2.21 0.00 0.00 2.44 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.26 0.00 59 V 7.78 4.98 2.45 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 1.00 0.00 0.00 1.43 0.00 0.00 60 A 9.26 4.54 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 61 E 7.89 4.92 0.00 1.80 1.85 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 2.20 2.34 0.00 62 V 8.44 4.73 2.26 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 1.15 0.00 0.00 1.19 0.00 0.00 63 N 9.30 5.00 0.00 2.82 2.60 0.00 0.00 6.97 7.90 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 64 I 8.52 4.56 1.99 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 1.57 0.84 1.10 0.00 0.00 *66 S 8.33 4.55 0.00 3.99 4.09 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 67 T 8.44 5.36 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 1.41 0.00 0.00 68 T 9.31 4.82 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 69 V 8.51 4.64 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 0.75 0.00 0.00 0.66 0.00 0.00 70 E 9.25 4.52 0.00 1.97 1.75 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 2.21 2.25 0.00 71 Y 8.31 4.03 0.00 2.92 2.79 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 72 P 0.00 3.50 0.00 1.70 1.25 0.00 3.56 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.73 0.00 73 R 7.87 4.78 0.00 1.88 1.83 0.00 3.19 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.53 0.00 74 A 8.35 5.12 1.09 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 0.00 0.00 75 S 9.49 5.28 0.00 3.96 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 76 G 9.42 4.89 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 77 V 8.60 5.14 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 0.86 0.00 0.00 0.87 0.00 0.00 78 W 8.94 5.15 0.00 3.21 2.34 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 79 Q 8.77 4.78 0.00 1.83 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.61 0.00 0.00 0.00 0.00 0.00 2.14 2.04 0.00 *81 R 8.43 4.38 0.00 1.85 1.95 0.00 3.32 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 82 T 8.50 4.80 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 0.55 0.00 0.00 83 T 8.93 4.12 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 1.32 0.00 0.00 84 K 7.98 4.14 0.00 1.73 1.81 0.00 1.34 0.00 0.00 1.48 0.00 0.00 2.54 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.21 1.20 7.81 85 G 8.02 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 0.00 0.00 0.00 86 T 7.71 3.98 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 0.39 0.00 0.00 87 L 8.11 4.38 0.00 1.47 1.41 0.80 0.84 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 88 Y 8.02 4.71 0.00 2.65 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 89 T 8.52 4.71 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 1.15 0.00 0.00 90 L 8.92 4.64 0.00 0.79 1.21 0.11 0.22 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 91 H 8.54 5.44 0.00 3.07 3.13 0.00 5.74 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 N 9.40 4.78 0.00 2.89 1.83 0.00 0.00 6.36 8.13 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 93 F 8.75 5.01 0.00 2.93 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 94 F 8.39 5.36 0.00 2.68 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 95 R 8.81 4.99 0.00 1.81 1.70 0.00 3.00 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.62 0.00 96 L 8.66 5.34 0.00 0.89 1.19 0.41 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 97 D 9.14 5.03 0.00 2.88 2.79 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 98 E 9.07 4.23 0.00 2.01 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 2.23 1.91 0.00 99 E 8.47 4.56 0.00 2.16 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 2.33 2.30 0.00 100 G 7.58 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 0.00 0.00 0.00 0.00 101 I 9.43 4.49 1.89 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.38 1.06 0.00 0.00 102 V 9.00 4.73 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 0.83 0.00 0.00 1.08 0.00 0.00 103 Y 7.80 5.92 0.00 3.08 2.94 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 0.00 104 V 7.74 4.54 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 0.77 0.00 0.00 1.08 0.00 0.00 105 W 8.92 5.05 0.00 3.18 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 0.00 106 P 0.00 4.98 0.00 2.18 2.31 0.00 3.93 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 *108 F 8.30 4.55 0.00 3.03 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 0.00 109 D 9.00 4.50 0.00 2.58 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 0.00 110 P 0.00 4.50 0.00 2.28 2.32 0.00 3.79 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 111 K 8.16 3.96 0.00 1.94 1.91 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.41 7.81 112 A 7.98 4.05 1.24 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 0.00 0.00 113 V 7.58 3.86 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 0.87 0.00 0.00 0.91 0.00 0.00 *115 E 8.17 4.32 0.00 2.18 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 2.19 2.46 0.00 116 N 7.60 5.00 0.00 2.65 2.68 0.00 0.00 7.28 7.57 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 0.00 117 P 0.00 4.49 0.00 2.23 2.09 0.00 3.67 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 118 D 8.32 4.43 0.00 2.72 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 0.00 119 A 8.12 4.11 1.52 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 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.70 4.09 0.00 1.77 1.80 0.30 0.23 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 0.00 121 I 7.80 3.77 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.36 1.00 0.00 0.00 122 Q 8.54 4.29 0.00 2.51 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.59 0.00 0.00 0.00 0.00 0.00 2.70 2.60 0.00 123 W 8.66 4.05 0.00 3.52 3.63 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 0.00 124 L 8.33 3.72 0.00 1.79 1.77 0.93 0.89 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 0.00 125 T 8.15 4.20 4.27 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 1.30 0.00 0.00 126 G 8.45 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 0.00 127 K 7.89 4.25 0.00 1.81 1.62 0.00 1.95 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.28 7.81 128 D 8.80 4.56 0.00 2.89 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 0.00 129 Y 8.22 4.30 0.00 3.13 2.91 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 * Residues marked with a * may have inaccurate shift predictions.