NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4109 8.3049 118.1938 55.2222 32.4966 174.2550 2 Q 4.4528 8.3341 118.4420 53.8648 31.4535 173.5736 3 R 4.5825 8.4983 118.3458 54.4201 32.9178 175.7606 4 V 4.3711 8.2294 121.8803 61.1856 34.1628 174.4055 5 T 4.5222 8.4740 123.8238 62.0623 69.7065 174.0975 6 I 4.6935 7.9996 118.3372 59.3361 40.8557 174.3354 7 T 4.5536 8.3800 118.0049 61.8416 69.9595 174.2005 8 L 4.7947 8.2043 125.8778 52.1713 45.1569 176.7654 9 D 4.6571 8.3795 122.4438 53.0789 41.4287 177.2495 10 D 4.5214 8.6753 121.6551 57.6124 40.6764 179.4687 11 D 4.2728 8.3499 122.3328 58.0914 39.8800 183.4000 12 L 4.2321 7.9966 121.5987 58.1061 42.2523 178.7586 13 L 4.0745 7.9439 118.8621 57.8605 41.3719 179.2880 14 E 3.9539 7.8043 119.0580 59.4762 29.5196 178.9870 15 T 3.9356 7.5426 114.5403 66.2315 68.5291 176.6663 16 L 3.9727 8.3524 122.7954 58.3706 42.1529 178.8929 17 D 4.3870 8.4917 119.2042 57.3148 40.9211 178.5691 18 S 4.0999 8.3682 114.0018 61.4272 62.4830 176.0441 19 L 4.1430 8.6350 123.2287 57.9663 41.9374 179.0580 20 S 4.3516 8.3207 115.5002 61.3579 62.5460 176.5049 21 Q 4.0007 8.2328 120.9468 58.9720 28.2524 179.0975 22 R 3.8269 7.2536 116.2606 59.3397 30.3377 178.8960 23 R 4.0429 7.4360 114.0454 55.8362 30.2496 176.9046 24 G 3.7751 7.3319 106.4120 46.4567 0.0000 173.5796 25 Y 4.5251 7.4077 117.3852 57.6631 38.4036 176.1709 26 N 4.5636 9.1635 123.3063 55.7465 39.2049 175.4240 27 N 5.1122 7.6839 114.3423 50.0620 41.9196 174.9096 28 R 3.8521 8.6615 120.8813 59.8186 30.0604 178.9031 29 S 4.0597 8.1782 114.4388 62.2746 62.3928 176.7460 30 E 3.8995 9.0226 120.9075 61.0079 29.4010 180.2095 31 A 2.5800 7.6253 120.9782 54.6659 18.2787 179.5246 32 I 3.6171 8.3644 117.3551 64.4566 37.3170 178.7854 33 R 3.8275 8.1811 119.7628 59.2741 29.7981 178.1977 34 D 4.2623 8.0152 117.9439 57.4645 41.2378 178.1928 35 I 3.7248 8.1260 120.7278 64.2701 37.0573 178.0910 36 L 3.9044 8.2475 121.5086 58.0520 41.7863 178.7122 37 R 3.8722 7.7350 117.5610 59.7297 30.2117 178.0330 38 S 4.2281 8.4202 112.7802 61.4790 62.1734 176.0223 39 A 4.0514 8.3097 123.5301 54.7974 18.1362 179.2390 40 L 4.0614 8.2142 116.7337 56.7768 41.4887 178.7374 41 A 4.3326 7.6618 122.6036 54.7413 19.2941 179.6386 42 Q 4.2135 8.1585 120.5971 60.4233 28.4371 181.5546 43 E 4.4275 7.7759 117.8493 59.4761 30.5274 180.4695 44 A 4.3238 6.8271 120.7956 52.4506 19.0470 176.9989 45 T 4.3934 8.1393 110.4965 60.8423 69.8930 174.6292 46 Q 4.2374 8.9210 123.8990 54.8973 28.7283 175.7515 47 Q 4.2087 8.7952 125.4625 56.9284 29.4381 179.1951 *48 H 4.6654 8.6849 123.9100 53.7161 26.9148 172.4410 49 G 4.2696 7.7961 109.3118 47.5675 0.0000 173.9511 50 T 4.0082 7.6383 110.5352 61.2790 69.5485 173.7431 51 Q 4.9811 8.5351 122.6244 53.9855 31.6009 175.7317 52 G 3.7067 6.8589 104.5527 46.2790 0.0000 171.3922 53 F 5.4687 7.8257 117.3994 56.0752 43.3582 174.1705 54 A 5.0664 9.0320 119.8340 51.1800 23.1491 175.4259 55 V 4.7672 9.2605 120.7736 61.0386 34.2677 174.1491 56 L 5.3369 9.1669 131.0747 53.4346 44.2003 175.0319 57 S 5.6559 9.0434 121.1717 55.9820 66.3731 172.5957 58 Y 5.1010 7.7408 118.0182 56.5711 41.0693 172.7788 59 V 5.1275 8.6034 120.2857 61.6828 34.6919 173.8494 60 Y 5.3768 8.3181 125.2366 56.6678 41.4433 175.7675 61 E 4.6743 9.0969 117.0368 57.8500 29.9957 178.9906 *79 H 4.7235 7.9428 114.0225 55.1504 30.0705 179.2186 80 D 4.5075 7.7555 117.3180 57.8101 41.2044 177.4612 81 L 5.0834 7.5419 116.4155 54.5629 42.7283 176.2623 82 S 4.7869 7.3833 114.3644 57.2096 62.3476 173.9446 83 V 3.9838 8.6601 128.3484 64.9997 32.0863 176.1128 84 A 4.5957 7.2720 118.5248 51.4996 22.0560 175.1261 85 T 4.9958 8.6514 110.0275 59.8983 71.8172 172.7537 86 L 4.6337 9.3868 128.4283 53.7275 44.1213 174.4276 87 H 5.3088 8.7850 123.0482 54.0483 31.3024 173.9527 88 V 4.3341 8.9200 122.2798 61.3158 35.1165 173.8484 89 H 4.8356 8.8033 125.4440 55.4233 28.9283 174.9260 90 I 4.2157 8.3549 117.0964 59.1742 36.9110 175.0582 91 N 4.1564 7.3743 118.8139 53.2912 38.2230 174.5302 92 H 4.3168 8.5793 117.2756 58.5106 30.2637 175.1125 93 D 4.7107 7.9137 118.8631 55.7227 43.2904 176.6432 94 D 4.9059 9.8567 118.6662 53.9508 42.7364 175.6110 95 C 5.0306 8.7251 119.4405 57.7895 32.0084 172.7202 96 L 4.7299 9.0411 126.5054 53.8630 43.6686 174.7077 97 E 4.8860 8.6498 126.6785 54.2796 32.9163 174.2572 98 I 4.8081 9.0021 127.2553 59.5556 40.3793 174.1374 99 A 5.1723 9.2974 130.2097 50.1383 21.3620 175.2625 100 V 4.4974 9.2078 124.0828 62.0288 33.1407 174.8514 101 L 5.3795 9.3129 127.8237 53.0535 45.3231 175.4131 102 K 4.5003 10.0606 122.8882 53.9439 35.7960 176.3231 103 G 3.7660 7.6735 113.4262 45.1537 0.0000 171.1660 104 D 4.5193 8.2128 122.3823 54.3666 42.2002 177.5785 105 M 4.3569 9.0209 128.2828 58.4746 31.9877 179.1906 106 G 3.6223 8.5924 106.3441 47.2970 0.0000 175.7248 107 D 4.4138 8.2189 121.0280 56.9484 40.8639 178.4158 108 V 3.5950 8.3458 119.1085 66.3904 31.4882 177.8022 109 Q 3.9773 8.2245 118.8241 59.4762 28.9427 177.8278 110 H 4.1937 8.2521 119.1528 59.3204 29.7750 177.0106 111 F 4.0377 8.7562 122.6586 61.0404 39.1523 176.8675 112 A 3.8330 8.3450 120.6083 55.4325 17.8831 179.2149 113 D 4.3940 8.6669 119.9605 58.3898 40.6614 179.6998 114 D 4.0752 7.6966 120.5429 57.6273 40.0279 181.3482 115 V 3.5909 6.9115 117.8061 66.1730 31.4677 178.1001 116 I 3.6744 7.6598 117.5528 63.0830 37.0258 176.8324 117 A 4.6755 7.1146 121.3384 52.9548 20.4161 177.3184 118 Q 4.2827 7.8823 115.3191 54.7135 30.1108 181.9352 119 R 3.7423 8.4081 108.8169 60.5690 29.9045 178.9128 120 G 3.8739 9.0410 114.2817 45.4824 0.0000 175.0944 121 V 4.3051 7.4266 117.9304 61.4915 32.3244 174.9841 122 R 4.5038 8.6852 126.6663 55.1284 32.0484 175.7619 123 H 4.2103 8.6663 112.8096 56.3695 26.5478 175.5083 124 G 3.9810 8.0762 104.9472 47.2532 0.0000 173.2437 125 H 5.0736 9.3349 122.0351 54.4561 34.0238 171.7422 126 L 5.2643 8.0546 125.4470 53.2615 44.9188 174.9758 127 Q 4.6530 9.2633 127.6425 54.6279 31.4398 173.6916 128 C 4.8708 8.7749 124.2054 58.2213 30.0566 174.1873 129 L 4.9970 9.0025 122.0536 52.1345 41.1979 174.1084 130 P 4.6769 0.0000 0.0000 62.8925 32.5329 178.3191 131 K 3.9531 8.7705 125.3601 55.7964 32.3392 176.2379 132 E 4.1486 8.7567 121.8737 56.1667 29.4310 176.9330 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 M 8.30 4.41 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 2 Q 8.33 4.45 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.69 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 3 R 8.50 4.58 0.00 1.76 1.83 0.00 3.14 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 4 V 8.23 4.37 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 0.83 0.00 0.00 0.92 0.00 0.00 5 T 8.47 4.52 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 1.21 0.00 0.00 6 I 8.00 4.69 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 0.65 0.90 0.00 0.00 7 T 8.38 4.55 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 1.21 0.00 0.00 8 L 8.20 4.79 0.00 1.58 1.52 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.38 4.66 0.00 2.87 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 10 D 8.68 4.52 0.00 2.79 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 11 D 8.35 4.27 0.00 2.70 2.66 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 12 L 8.00 4.23 0.00 1.71 1.84 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.94 4.07 0.00 1.75 1.73 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 14 E 7.80 3.95 0.00 2.21 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 0.00 2.31 2.35 0.00 15 T 7.54 3.94 4.35 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 1.23 0.00 0.00 16 L 8.35 3.97 0.00 1.74 1.85 0.95 1.14 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 17 D 8.49 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 18 S 8.37 4.10 0.00 4.20 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 19 L 8.63 4.14 0.00 1.84 1.96 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.32 4.35 0.00 4.19 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 21 Q 8.23 4.00 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 22 R 7.25 3.83 0.00 1.95 1.92 0.00 3.14 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 23 R 7.44 4.04 0.00 0.84 1.25 0.00 3.06 0.00 0.00 2.96 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.43 0.00 24 G 7.33 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 25 Y 7.41 4.53 0.00 3.03 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 26 N 9.16 4.56 0.00 2.75 2.91 0.00 0.00 6.85 8.00 0.00 0.00 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 N 7.68 5.11 0.00 2.91 2.85 0.00 0.00 6.10 7.66 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 28 R 8.66 3.85 0.00 1.85 2.04 0.00 3.14 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 29 S 8.18 4.06 0.00 3.85 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 30 E 9.02 3.90 0.00 1.96 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 2.24 2.20 0.00 31 A 7.63 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.36 3.62 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.72 0.87 0.00 0.00 33 R 8.18 3.83 0.00 1.93 1.98 0.00 3.07 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 34 D 8.02 4.26 0.00 2.87 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 35 I 8.13 3.72 1.85 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.68 0.93 0.00 0.00 36 L 8.25 3.90 0.00 2.03 1.64 0.91 0.75 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 37 R 7.73 3.87 0.00 2.06 1.96 0.00 3.33 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 1.66 1.66 0.00 38 S 8.42 4.23 0.00 3.98 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 39 A 8.31 4.05 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.21 4.06 0.00 1.87 1.73 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.66 4.33 1.30 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 0.00 0.00 0.00 42 Q 8.16 4.21 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.95 0.00 0.00 0.00 0.00 0.00 2.28 1.99 0.00 43 E 7.78 4.43 0.00 2.04 1.88 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 2.23 2.19 0.00 44 A 6.83 4.32 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 4.39 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 46 Q 8.92 4.24 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 47 Q 8.80 4.21 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.29 0.00 0.00 0.00 0.00 0.00 2.45 2.31 0.00 *48 H 8.68 4.67 0.00 2.93 2.94 0.00 7.18 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 7.80 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 0.00 0.00 0.00 0.00 50 T 7.64 4.01 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 1.21 0.00 0.00 51 Q 8.54 4.98 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.92 0.00 0.00 0.00 0.00 0.00 2.33 2.24 0.00 52 G 6.86 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 0.00 0.00 0.00 53 F 7.83 5.47 0.00 2.92 2.92 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 54 A 9.03 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 55 V 9.26 4.77 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 1.07 0.00 0.00 0.99 0.00 0.00 56 L 9.17 5.34 0.00 1.92 1.69 1.09 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 57 S 9.04 5.66 0.00 3.91 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 58 Y 7.74 5.10 0.00 3.27 3.09 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 59 V 8.60 5.13 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 0.98 0.00 0.00 0.96 0.00 0.00 60 Y 8.32 5.38 0.00 3.11 3.15 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 61 E 9.10 4.67 0.00 2.01 1.89 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 2.23 1.83 0.00 *79 H 7.94 4.72 0.00 2.95 3.05 0.00 7.16 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 7.76 4.51 0.00 2.61 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 81 L 7.54 5.08 0.00 1.23 1.50 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 82 S 7.38 4.79 0.00 3.82 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 83 V 8.66 3.98 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 0.87 0.00 0.00 1.07 0.00 0.00 84 A 7.27 4.60 1.22 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 0.00 0.00 0.00 85 T 8.65 5.00 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 1.27 0.00 0.00 86 L 9.39 4.63 0.00 1.68 1.51 0.91 0.85 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 87 H 8.79 5.31 0.00 3.01 3.11 0.00 5.70 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.92 4.33 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 0.94 0.00 0.00 0.89 0.00 0.00 89 H 8.80 4.84 0.00 3.08 3.36 0.00 5.74 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.35 4.22 1.84 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 1.43 0.55 0.92 0.00 0.00 91 N 7.37 4.16 0.00 3.05 3.05 0.00 0.00 5.80 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 92 H 8.58 4.32 0.00 3.07 3.38 0.00 5.89 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 7.91 4.71 0.00 2.79 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 94 D 9.86 4.91 0.00 2.66 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 95 C 8.73 5.03 0.00 1.77 2.39 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 96 L 9.04 4.73 0.00 1.64 1.60 0.85 0.71 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 97 E 8.65 4.89 0.00 2.01 1.12 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 1.93 1.98 0.00 98 I 9.00 4.81 1.83 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 1.12 0.82 0.91 0.00 0.00 99 A 9.30 5.17 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 0.00 100 V 9.21 4.50 2.25 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 1.07 0.00 0.00 0.96 0.00 0.00 101 L 9.31 5.38 0.00 1.61 1.57 1.13 0.63 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 0.00 102 K 10.06 4.50 0.00 1.41 1.39 0.00 1.41 0.00 0.00 1.48 0.00 0.00 2.66 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.95 0.36 7.81 103 G 7.67 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 0.00 104 D 8.21 4.52 0.00 2.64 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 0.00 105 M 9.02 4.36 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.69 0.00 106 G 8.59 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 0.00 0.00 0.00 107 D 8.22 4.41 0.00 2.81 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 0.00 108 V 8.35 3.60 2.32 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 1.13 0.00 0.00 0.96 0.00 0.00 109 Q 8.22 3.98 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 110 H 8.25 4.19 0.00 3.33 3.48 0.00 5.84 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 0.00 111 F 8.76 4.04 0.00 3.05 3.26 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 0.00 112 A 8.35 3.83 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 8.67 4.39 0.00 2.70 2.71 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 0.00 114 D 7.70 4.08 0.00 2.80 2.58 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 0.00 115 V 6.91 3.59 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 0.17 0.00 0.00 0.13 0.00 0.00 116 I 7.66 3.67 1.77 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 0.67 0.87 0.00 0.00 117 A 7.11 4.68 1.13 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 0.00 0.00 0.00 0.00 0.00 118 Q 7.88 4.28 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.21 0.00 119 R 8.41 3.74 0.00 1.76 1.31 0.00 3.14 0.00 0.00 3.20 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 120 G 9.04 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 0.00 0.00 0.00 121 V 7.43 4.31 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 0.75 0.00 0.00 0.82 0.00 0.00 122 R 8.69 4.50 0.00 1.95 1.63 0.00 3.36 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 123 H 8.67 4.21 0.00 3.31 3.36 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.08 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 0.00 125 H 9.33 5.07 0.00 3.30 3.16 0.00 5.72 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.05 5.26 0.00 1.62 1.44 1.03 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 9.26 4.65 0.00 2.25 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 128 C 8.77 4.87 0.00 2.92 2.87 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 0.00 129 L 9.00 5.00 0.00 1.73 1.61 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 130 P 0.00 4.68 0.00 2.10 2.08 0.00 3.85 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 131 K 8.77 3.95 0.00 1.53 1.69 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.34 7.81 132 E 8.76 4.15 0.00 1.97 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 2.35 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.