NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.2511 8.2544 119.7064 56.0845 31.5219 174.0096 3 V 4.0189 8.0104 119.7701 60.0206 32.6059 173.5083 4 P 4.3440 0.0000 0.0000 62.9246 32.7375 175.6070 5 L 4.3210 8.1531 121.2118 54.1553 42.8595 177.1626 6 D 4.6894 8.2764 121.4015 52.6341 41.8584 177.1806 7 E 3.9507 8.6865 119.1648 59.7679 29.3954 179.6399 8 I 3.6968 7.7680 118.9752 64.7265 37.2258 178.0494 9 D 4.3930 8.7047 119.7613 57.3857 40.6399 179.0968 10 K 4.1027 8.0429 118.7432 59.0770 31.8416 179.4120 11 K 3.9616 8.1557 120.2242 59.4683 32.0853 179.0581 12 I 3.7519 7.8614 120.0583 64.4759 37.0144 178.3721 13 I 3.6654 8.1530 121.0989 64.2900 36.7919 178.2549 14 K 3.8812 8.1654 120.3310 59.7040 32.0068 178.9395 15 I 3.7741 7.5520 120.0986 64.4125 36.8434 178.4933 16 L 4.3366 8.0132 118.8197 57.6400 41.4585 179.2818 17 Q 4.1106 8.0802 117.8970 58.8453 28.7183 177.7466 18 N 4.8494 7.6875 118.7181 54.9646 39.5336 174.4440 19 D 4.4303 8.3191 121.6144 52.9597 42.5646 175.6748 20 G 3.9624 8.8287 116.6632 47.6734 0.0000 172.9239 21 K 4.3334 8.2487 117.8828 55.7208 32.3112 176.2029 22 A 4.0053 7.6601 122.5680 52.0247 18.7957 177.2488 23 P 4.4112 0.0000 0.0000 62.3460 33.4574 177.7330 24 L 4.0715 8.6001 121.2307 57.8494 41.5693 180.1955 25 R 4.0596 7.9102 115.8924 59.2235 29.3317 178.6902 26 E 3.9667 7.9238 117.9641 59.3070 29.9583 178.9405 27 I 3.8613 7.8971 119.7773 64.0707 37.0037 178.5433 28 S 4.1581 7.9774 114.5398 61.0048 62.0641 176.9072 29 K 4.5578 7.5809 118.5578 57.1905 32.6473 177.3510 30 I 4.5204 8.2167 120.1495 64.1718 40.6777 177.7599 31 T 3.5486 8.2525 114.4315 63.0833 67.3360 175.7067 32 G 4.1630 7.6103 107.7515 46.1210 0.0000 173.1166 33 L 4.6820 7.0986 117.9865 52.1040 44.4071 176.2250 34 A 4.2266 8.1721 122.9721 51.8445 19.3376 178.4757 35 E 4.0452 9.0772 121.6320 59.9771 29.6021 180.3244 36 S 4.3270 8.0396 113.3909 61.5151 62.9758 176.7237 37 T 3.8998 8.3891 119.7406 66.4696 68.2830 176.7939 38 I 3.6842 7.7033 121.1564 64.7855 37.2599 177.6085 39 H 4.0679 8.7552 119.2749 59.4538 29.6926 176.8173 40 E 4.0208 8.2101 120.5166 59.1382 29.4731 178.8491 41 R 3.9186 8.1884 118.3920 59.5521 30.2349 179.0467 42 I 3.7454 8.1907 119.8061 64.3778 37.1138 178.4032 43 R 3.9042 8.0434 119.5008 59.5520 29.8082 178.7959 44 K 4.0838 8.0727 117.9138 59.2525 32.0545 179.4374 45 L 4.0033 7.9861 119.4879 57.7113 41.6449 179.6880 46 R 4.1782 8.1474 118.2480 58.9034 29.8161 178.6403 47 E 4.0467 7.8905 118.6614 59.3327 29.8179 178.8590 48 S 4.2932 8.1773 113.1155 59.7797 63.2792 175.1771 49 G 3.9977 7.7493 108.6363 44.8411 0.0000 174.4488 50 V 3.5406 7.2158 118.5655 65.5451 31.4509 175.9840 51 I 4.1269 7.3980 121.9196 59.4213 36.6508 175.6559 52 K 4.0360 8.6593 126.5423 58.5005 32.1223 177.3986 53 K 4.2133 6.8159 114.8338 56.8531 34.1088 173.2906 54 F 4.7412 8.6666 117.5173 56.1858 41.3205 175.0868 55 T 4.5556 8.1992 116.0031 60.9611 70.1223 172.4612 56 A 4.5734 8.3439 128.5193 50.4862 20.1411 176.9019 57 I 4.0570 8.3241 124.8297 60.8442 37.7496 175.5490 58 I 4.3158 8.0158 126.3633 59.3859 38.9417 175.0544 59 D 4.4826 8.4643 123.7186 53.3591 41.5107 174.9409 60 P 4.3530 0.0000 0.0000 65.9957 31.2826 178.2587 61 E 4.0021 8.5200 117.0335 59.4547 29.1282 179.2780 62 A 4.1379 8.0192 119.7601 54.0643 18.4544 178.5529 63 L 4.6187 7.8305 114.7339 54.1548 42.7354 177.2806 64 G 3.8233 8.0485 108.1623 45.7869 0.0000 173.7475 65 Y 4.6780 7.8229 118.6006 56.0963 36.6262 176.0270 66 S 4.5544 7.5447 122.7450 57.2898 63.4888 175.3262 *68 L 4.2608 7.5139 121.4304 55.8829 43.7203 175.8565 69 A 4.8670 8.5830 125.8975 50.9291 23.2662 174.5085 70 F 5.0894 8.6859 117.4313 55.7338 41.8053 175.4383 71 I 4.6396 8.8197 123.4460 59.5508 40.2916 174.4672 72 L 4.6406 8.8319 128.1146 53.5117 43.4426 175.9237 73 V 4.9307 8.3007 122.4969 60.9602 34.9184 173.6735 74 K 4.9596 9.1758 129.5086 55.1188 33.7281 175.1539 75 V 4.8960 9.0722 127.3239 60.5146 34.5149 175.0639 76 K 4.2834 9.2308 128.9312 56.0094 33.3400 176.1346 77 A 4.2654 8.7223 129.8065 54.1693 18.6540 177.9506 78 G 3.9734 8.9894 110.6622 45.6160 0.0000 174.4077 79 K 4.5843 8.1634 117.8369 55.9506 32.9066 177.1466 80 Y 4.1530 8.5393 118.6402 61.4383 37.8364 178.5171 81 S 4.1864 8.2639 115.1248 61.9464 63.0367 176.6684 82 E 4.0122 8.1690 120.5406 59.2358 29.2028 179.4772 83 V 3.5769 8.0622 118.1127 65.9458 31.5806 177.7859 84 A 3.9771 8.3662 120.9535 55.3903 17.9883 179.5287 85 S 4.0081 7.9880 110.2773 61.4136 62.8652 175.5748 86 N 4.4576 8.3245 119.7179 56.6895 38.6600 176.8641 87 L 4.2848 8.2567 120.2809 57.9386 41.5911 179.4089 88 A 4.0925 8.1240 119.5289 54.5842 18.3000 179.2816 89 K 4.0134 7.4394 114.9603 58.1237 33.2943 176.7290 90 Y 4.5328 7.3429 119.6261 56.1990 38.6705 174.8636 91 P 4.3398 0.0000 0.0000 65.5990 31.8679 177.4814 92 E 3.8955 8.2825 118.4544 58.6744 30.6638 176.4795 93 I 4.2812 7.3337 120.0680 60.4894 36.6387 176.3844 94 V 4.0108 8.1628 121.0275 62.2747 32.6575 176.7430 95 E 4.4557 7.7490 119.5588 54.4864 34.0192 174.5592 96 V 4.6339 7.7075 122.8092 61.5214 34.1535 173.8239 97 Y 4.9582 8.8686 125.5043 56.1528 41.2589 174.7050 98 E 4.8701 9.0176 124.1549 55.1458 30.9601 174.8349 99 T 4.9338 8.8820 116.8045 60.1782 72.6666 173.2010 100 T 4.2762 8.3441 112.4328 60.3316 69.5739 173.0399 101 G 3.8494 8.4238 106.1218 44.4844 0.0000 173.5554 102 D 4.2885 8.4777 117.0059 56.2307 41.0068 176.0495 103 Y 4.6959 7.1752 115.4054 56.2757 41.2502 174.8560 104 D 4.6915 8.6596 120.8529 54.9677 42.2477 176.0556 *106 V 4.1305 7.5710 119.3216 62.7713 33.0901 174.0739 107 V 4.8472 8.7671 127.3807 60.9306 34.7582 173.7509 108 K 4.6029 8.7668 128.8430 54.5831 34.3127 174.5870 109 I 4.8546 8.4846 127.1470 59.1406 41.7051 173.8748 110 R 5.0489 8.6245 127.0569 54.5868 32.3081 175.1667 111 T 5.0634 8.3713 111.9927 59.6325 72.1542 174.8267 112 K 4.3349 9.7449 121.0755 58.2363 32.3057 177.1022 113 N 4.5791 7.4372 114.9883 51.1238 40.7299 175.2216 114 S 4.1189 8.3721 115.8570 61.8037 62.7528 176.5370 115 E 3.9269 8.1787 121.5480 59.1446 29.4253 178.2958 116 E 3.9240 8.7716 119.7173 59.0049 29.6633 178.5489 117 L 4.0535 7.8323 120.2832 58.2172 42.1613 178.4338 118 N 4.3095 8.3077 117.0576 56.8152 38.8176 176.5423 119 N 4.2596 8.2988 118.0116 56.3454 38.5991 177.4354 120 F 3.8968 8.1333 119.2233 60.2389 38.9191 177.8104 121 L 4.0901 8.1376 118.8908 57.7598 41.1601 179.2894 122 D 4.3054 8.0217 117.9886 57.1591 41.2233 178.1649 123 L 4.0533 7.8959 120.7533 58.3438 42.0956 179.0843 124 I 3.8558 8.3592 120.0677 64.4281 36.8851 178.7241 125 G 3.7404 8.1870 104.8839 46.9476 0.0000 174.8433 126 S 4.6122 7.5058 114.7837 57.6223 63.8275 174.4248 127 I 3.8807 7.2205 124.9712 60.1759 37.3929 173.8019 128 P 4.4570 0.0000 0.0000 64.0700 31.7242 175.9269 129 G 4.0858 9.1054 111.3628 45.6506 0.0000 173.4050 130 V 4.2410 7.6860 120.0778 62.5874 31.6987 175.5017 131 E 4.4015 9.0860 127.1228 56.1077 30.4217 176.1232 132 G 4.3749 7.1077 107.5142 46.4765 0.0000 171.6294 133 T 5.4537 8.3524 109.5820 60.2857 72.7451 172.6341 134 H 4.7882 8.8347 121.0977 55.2326 33.2368 173.0169 135 T 4.4974 8.1052 122.6427 62.0435 71.2212 173.6560 *137 I 3.8229 8.0396 121.5448 61.4576 38.1195 175.7569 138 V 3.8882 8.5636 125.7554 62.6831 31.5916 175.6388 139 L 4.3808 8.5191 127.3371 56.2278 42.5098 177.0824 140 K 4.4498 7.6616 117.2013 55.2763 35.0323 174.6296 141 T 4.4935 8.3436 122.5943 62.4932 69.4553 174.1667 142 H 4.5617 8.7645 124.0619 57.3456 29.6738 175.7896 143 K 4.4511 7.6563 117.7174 55.3085 34.8143 174.7954 144 E 4.4484 8.4107 125.7337 56.0763 30.7647 173.8441 145 T 4.7183 8.1839 120.0242 60.8220 70.5888 173.3918 146 T 4.4066 8.2695 114.2212 61.6177 70.2381 174.8243 147 E 4.2207 8.0286 124.0745 56.3801 29.9958 176.1896 148 L 4.6758 8.5280 123.7866 52.5004 43.3154 174.9480 149 P 4.2596 0.0000 0.0000 62.7554 31.7079 176.4240 150 I 4.3721 7.7864 123.5732 59.9993 38.3341 175.7043 151 K 4.0491 8.3240 123.6817 57.4578 31.7287 175.2314 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 R 8.25 4.25 0.00 1.82 1.93 0.00 3.32 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 3 V 8.01 4.02 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 0.79 0.00 0.00 0.93 0.00 0.00 4 P 0.00 4.34 0.00 2.07 1.98 0.00 3.72 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 5 L 8.15 4.32 0.00 1.63 1.59 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 6 D 8.28 4.69 0.00 2.95 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 7 E 8.69 3.95 0.00 2.03 2.06 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 2.41 2.42 0.00 8 I 7.77 3.70 2.03 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 1.64 0.91 0.92 0.00 0.00 9 D 8.70 4.39 0.00 2.79 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 10 K 8.04 4.10 0.00 1.97 1.86 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.63 7.81 11 K 8.16 3.96 0.00 2.05 1.88 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.63 7.81 12 I 7.86 3.75 2.03 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 1.54 0.61 0.95 0.00 0.00 13 I 8.15 3.67 1.99 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 1.38 0.75 0.88 0.00 0.00 14 K 8.17 3.88 0.00 1.96 1.99 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 15 I 7.55 3.77 2.03 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 1.53 0.88 0.93 0.00 0.00 16 L 8.01 4.34 0.00 1.64 1.83 1.09 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.08 4.11 0.00 2.24 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.97 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 18 N 7.69 4.85 0.00 2.66 3.03 0.00 0.00 6.86 8.32 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 19 D 8.32 4.43 0.00 2.77 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 20 G 8.83 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 21 K 8.25 4.33 0.00 1.89 1.82 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.36 7.81 22 A 7.66 4.01 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 23 P 0.00 4.41 0.00 2.17 1.98 0.00 3.62 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 2.11 2.17 0.00 24 L 8.60 4.07 0.00 1.69 1.74 0.96 0.89 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 25 R 7.91 4.06 0.00 2.04 2.19 0.00 2.96 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 26 E 7.92 3.97 0.00 2.11 2.06 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 2.32 2.35 0.00 27 I 7.90 3.86 1.89 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 1.43 1.14 0.93 0.00 0.00 28 S 7.98 4.16 0.00 4.08 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 0.00 29 K 7.58 4.56 0.00 1.97 1.89 0.00 1.61 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.69 1.51 7.81 30 I 8.22 4.52 2.05 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 1.20 0.92 0.00 0.00 31 T 8.25 3.55 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 1.36 0.00 0.00 32 G 7.61 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.10 4.68 0.00 1.64 1.59 0.93 0.73 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 34 A 8.17 4.23 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 35 E 9.08 4.05 0.00 2.02 2.06 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 2.59 2.40 0.00 36 S 8.04 4.33 0.00 4.04 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 37 T 8.39 3.90 4.40 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 1.22 0.00 0.00 38 I 7.70 3.68 2.03 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 1.54 0.73 0.93 0.00 0.00 39 H 8.76 4.07 0.00 3.21 3.34 0.00 5.59 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 40 E 8.21 4.02 0.00 2.33 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 2.32 2.41 0.00 41 R 8.19 3.92 0.00 2.11 1.98 0.00 3.61 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.84 0.00 42 I 8.19 3.75 1.98 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 1.46 0.98 1.03 0.00 0.00 43 R 8.04 3.90 0.00 2.01 2.11 0.00 3.12 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 44 K 8.07 4.08 0.00 2.03 1.85 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.66 7.81 45 L 7.99 4.00 0.00 1.89 1.71 0.93 0.92 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 46 R 8.15 4.18 0.00 2.06 2.04 0.00 3.43 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.00 0.00 47 E 7.89 4.05 0.00 2.10 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 0.00 2.33 2.32 0.00 48 S 8.18 4.29 0.00 4.05 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 49 G 7.75 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 50 V 7.22 3.54 2.19 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 0.77 0.00 0.00 0.92 0.00 0.00 51 I 7.40 4.13 1.80 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 1.14 0.65 0.42 0.00 0.00 52 K 8.66 4.04 0.00 1.69 1.84 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.39 7.81 53 K 6.82 4.21 0.00 1.84 1.76 0.00 1.52 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.11 1.24 7.81 54 F 8.67 4.74 0.00 3.03 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 55 T 8.20 4.56 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 1.22 0.00 0.00 56 A 8.34 4.57 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 57 I 8.32 4.06 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 1.43 0.86 0.91 0.00 0.00 58 I 8.02 4.32 1.87 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 1.43 0.81 0.93 0.00 0.00 59 D 8.46 4.48 0.00 2.69 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 60 P 0.00 4.35 0.00 2.26 2.19 0.00 3.67 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 61 E 8.52 4.00 0.00 2.10 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 2.46 2.49 0.00 62 A 8.02 4.14 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 63 L 7.83 4.62 0.00 1.89 1.93 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.05 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 65 Y 7.82 4.68 0.00 3.18 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 66 S 7.54 4.55 0.00 3.96 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 *68 L 7.51 4.26 0.00 1.77 1.57 0.75 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.58 4.87 1.14 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 0.00 0.00 70 F 8.69 5.09 0.00 2.92 2.93 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 71 I 8.82 4.64 1.85 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 1.19 0.68 0.88 0.00 0.00 72 L 8.83 4.64 0.00 0.51 0.70 0.56 0.45 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 73 V 8.30 4.93 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 0.99 0.00 0.00 0.93 0.00 0.00 74 K 9.18 4.96 0.00 2.01 1.71 0.00 1.60 0.00 0.00 1.43 0.00 0.00 2.80 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.34 1.53 7.81 75 V 9.07 4.90 1.47 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 0.73 0.00 0.00 0.75 0.00 0.00 76 K 9.23 4.28 0.00 1.88 1.72 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.50 1.45 7.81 77 A 8.72 4.27 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 78 G 8.99 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 79 K 8.16 4.58 0.00 2.03 1.88 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.63 7.81 80 Y 8.54 4.15 0.00 2.95 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 81 S 8.26 4.19 0.00 3.91 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 82 E 8.17 4.01 0.00 2.02 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 2.43 2.33 0.00 83 V 8.06 3.58 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 1.08 0.00 0.00 0.97 0.00 0.00 84 A 8.37 3.98 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 85 S 7.99 4.01 0.00 3.97 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 0.00 86 N 8.32 4.46 0.00 3.02 3.02 0.00 0.00 7.24 6.24 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 87 L 8.26 4.28 0.00 1.91 1.75 0.93 1.08 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 88 A 8.12 4.09 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 89 K 7.44 4.01 0.00 1.76 1.80 0.00 1.29 0.00 0.00 1.52 0.00 0.00 3.06 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.43 0.45 7.81 90 Y 7.34 4.53 0.00 3.09 3.23 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 0.00 91 P 0.00 4.34 0.00 2.16 2.19 0.00 3.99 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 92 E 8.28 3.90 0.00 1.58 1.82 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 2.63 2.55 0.00 93 I 7.33 4.28 1.99 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 0.93 0.10 0.83 0.00 0.00 94 V 8.16 4.01 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 0.55 0.00 0.00 0.87 0.00 0.00 95 E 7.75 4.46 0.00 1.82 1.45 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 2.25 2.24 0.00 96 V 7.71 4.63 1.95 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 0.78 0.00 0.00 0.85 0.00 0.00 97 Y 8.87 4.96 0.00 2.90 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 98 E 9.02 4.87 0.00 2.09 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 2.45 2.52 0.00 99 T 8.88 4.93 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 1.27 0.00 0.00 100 T 8.34 4.28 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 1.23 0.00 0.00 101 G 8.42 3.85 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 0.00 102 D 8.48 4.29 0.00 2.63 2.40 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 0.00 103 Y 7.18 4.70 0.00 3.06 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 0.00 104 D 8.66 4.69 0.00 2.37 2.38 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 *106 V 7.57 4.13 2.31 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 1.22 0.00 0.00 0.98 0.00 0.00 107 V 8.77 4.85 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 0.88 0.00 0.00 0.92 0.00 0.00 108 K 8.77 4.60 0.00 1.75 1.51 0.00 1.64 0.00 0.00 1.41 0.00 0.00 2.63 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.03 0.64 7.81 109 I 8.48 4.85 1.60 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.93 0.80 0.00 0.00 110 R 8.62 5.05 0.00 1.48 1.78 0.00 2.99 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.38 0.00 111 T 8.37 5.06 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 1.24 0.00 0.00 112 K 9.74 4.33 0.00 1.56 1.68 0.00 1.41 0.00 0.00 1.44 0.00 0.00 2.71 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.39 0.93 7.81 113 N 7.44 4.58 0.00 2.91 2.85 0.00 0.00 6.29 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 0.00 114 S 8.37 4.12 0.00 3.88 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 0.00 115 E 8.18 3.93 0.00 2.02 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 2.36 2.35 0.00 116 E 8.77 3.92 0.00 2.10 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 2.57 2.48 0.00 117 L 7.83 4.05 0.00 1.79 1.89 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 118 N 8.31 4.31 0.00 2.80 2.93 0.00 0.00 7.26 6.23 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 0.00 119 N 8.30 4.26 0.00 2.81 2.62 0.00 0.00 7.02 7.77 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 0.00 120 F 8.13 3.90 0.00 3.19 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 0.00 121 L 8.14 4.09 0.00 1.88 1.72 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.02 4.31 0.00 2.77 2.70 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 0.00 123 L 7.90 4.05 0.00 1.65 1.72 0.51 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 124 I 8.36 3.86 1.94 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 1.51 0.74 0.93 0.00 0.00 125 G 8.19 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 0.00 126 S 7.51 4.61 0.00 4.03 3.92 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 0.00 127 I 7.22 3.88 2.01 0.00 0.00 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 1.46 1.00 0.95 0.00 0.00 128 P 0.00 4.46 0.00 2.06 2.03 0.00 3.67 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 2.05 2.11 0.00 129 G 9.11 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 0.00 0.00 0.00 130 V 7.69 4.24 2.22 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 0.85 0.00 0.00 1.00 0.00 0.00 131 E 9.09 4.40 0.00 1.98 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 2.30 2.41 0.00 132 G 7.11 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 0.00 133 T 8.35 5.45 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 0.00 134 H 8.83 4.79 0.00 3.11 2.64 0.00 5.76 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 T 8.11 4.50 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 1.18 0.00 0.00 *137 I 8.04 3.82 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 1.29 0.47 0.91 0.00 0.00 138 V 8.56 3.89 2.20 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 0.79 0.00 0.00 1.03 0.00 0.00 139 L 8.52 4.38 0.00 1.69 1.71 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 140 K 7.66 4.45 0.00 1.63 1.57 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.04 1.37 7.81 141 T 8.34 4.49 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 1.25 0.00 0.00 142 H 8.76 4.56 0.00 3.17 3.36 0.00 5.73 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 K 7.66 4.45 0.00 1.69 1.65 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.43 7.81 144 E 8.41 4.45 0.00 1.95 1.82 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 2.22 2.31 0.00 145 T 8.18 4.72 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 1.22 0.00 0.00 146 T 8.27 4.41 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 0.00 147 E 8.03 4.22 0.00 2.08 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 2.32 2.28 0.00 148 L 8.53 4.68 0.00 1.69 1.57 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 149 P 0.00 4.26 0.00 2.03 1.98 0.00 3.60 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 2.02 2.10 0.00 150 I 7.79 4.37 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 1.63 0.88 0.93 0.00 0.00 151 K 8.32 4.05 0.00 1.79 1.70 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.23 1.34 7.81 * Residues marked with a * may have inaccurate shift predictions.