NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6220 8.3649 120.5361 54.1409 41.9534 174.4197 2 I 4.0873 8.3646 125.8767 60.1068 38.2149 170.4446 3 V 4.4138 9.1946 121.2334 59.9167 34.7960 174.3643 4 L 5.2365 8.4376 123.1220 53.3130 44.8451 175.3335 5 T 4.9642 9.5866 120.6996 61.8959 71.5739 173.0264 6 Q 5.4305 8.8211 124.8227 54.5213 31.2296 175.1285 7 S 4.8639 9.2482 116.8091 56.2594 66.8725 172.2678 8 P 4.7913 0.0000 0.0000 62.1794 32.5617 175.9711 9 A 4.3264 8.4710 119.5182 54.5243 19.3714 177.6624 10 S 5.1827 7.8711 108.5601 57.2424 67.5217 173.8455 11 L 4.5755 8.7987 123.2055 54.2460 45.7470 174.1475 12 S 5.4425 8.7650 121.8224 57.1820 64.5310 173.1234 13 A 4.7839 9.5128 124.3665 51.2180 23.2683 175.3930 14 S 4.6989 8.7617 114.6221 56.1408 65.4977 174.4626 15 V 4.0238 8.2529 121.3082 64.9084 31.7072 176.4588 16 G 3.9830 10.2590 114.0998 45.4709 0.0000 173.3077 17 E 4.4629 7.9010 120.7108 56.3343 31.2668 175.2710 18 T 5.0862 8.2496 119.5207 61.9060 70.6310 174.3152 19 V 4.5734 8.8701 118.9028 59.8056 36.4009 174.6265 20 T 5.1008 8.3300 118.1159 61.7379 71.8857 173.4632 21 I 4.6661 8.7851 119.3350 59.3408 41.0606 174.3801 22 T 5.3300 9.0971 121.1974 62.0573 71.9215 172.3026 23 C 5.4818 9.5096 125.0269 55.0230 44.8736 172.6491 24 R 5.3649 9.5362 125.3754 54.4317 32.5558 174.8369 25 A 4.9817 9.0833 125.2916 50.4924 21.2360 177.7429 26 G 3.7430 9.0037 107.7169 47.0068 0.0000 173.5283 27 G 4.1660 7.4033 107.5046 44.0979 0.0000 172.8487 28 N 4.1814 8.6154 119.1295 53.9181 39.1407 174.7258 29 T 4.2423 8.2732 114.4099 61.1160 69.8462 174.2935 30 H 3.9751 8.8979 118.8977 57.1832 27.1404 175.2265 31 N 4.4612 8.3252 112.6023 53.9472 37.3587 174.5128 32 Y 4.8488 7.9978 118.8271 56.5660 36.7899 173.0407 33 L 5.1299 7.6889 122.1970 52.9663 46.0325 174.8335 34 A 5.3456 9.4993 127.2117 49.9384 23.0009 174.6245 35 W 5.4523 8.8288 118.1350 55.2140 33.1625 174.5490 36 Y 5.3487 9.4729 119.8267 56.4293 42.0926 173.9958 37 Q 4.7257 9.3743 123.7325 54.2978 32.2707 174.0031 38 Q 4.7902 9.2530 126.2605 54.4198 32.3733 174.3177 39 K 4.8216 8.5499 125.0833 54.2725 35.2366 175.6415 40 Q 4.0364 8.7185 122.6943 58.1567 29.0371 177.1926 41 G 3.8920 9.1686 114.5138 46.4113 0.0000 173.2434 42 K 4.7229 7.8587 119.7561 52.0791 35.6249 179.9987 43 S 4.6476 8.2530 112.4244 57.8100 64.3645 172.3957 44 P 4.6824 0.0000 0.0000 63.1689 32.1508 175.7294 45 Q 4.7932 9.1393 121.2104 53.7138 32.1894 174.8745 46 L 4.2638 8.9634 126.0733 55.7204 42.5069 175.5795 47 L 4.5747 9.3580 125.1343 55.8063 44.4079 176.6123 48 V 5.1407 7.6311 116.9676 61.3897 35.5399 173.3870 49 Y 5.0622 8.5802 123.0870 55.0366 41.9647 173.6826 50 Y 3.8775 9.4075 117.9233 57.9431 37.4839 171.4855 51 T 3.8860 8.3452 124.6372 64.6304 68.1808 174.6090 52 T 4.5678 7.5356 106.1476 61.4544 70.7273 173.8728 53 T 4.0481 7.7144 120.9005 62.9850 69.3212 174.3151 54 L 4.6180 8.3836 126.3587 54.5354 43.0493 176.8626 55 A 4.7265 9.3038 125.1280 50.7653 20.6340 176.6454 56 A 4.1442 8.5777 122.1111 53.7439 18.6908 177.9973 57 G 3.9178 8.8504 109.9820 46.0083 0.0000 173.3433 58 V 4.0217 7.5019 119.0998 60.7844 32.6278 174.4079 59 P 4.4760 0.0000 0.0000 63.1758 31.8062 178.3501 *60 S 4.3117 8.6712 118.0577 60.5742 62.5427 175.2370 61 R 4.0527 7.9727 114.5878 58.6059 30.0796 176.1201 62 F 5.1794 7.8243 119.1403 56.0692 40.5977 175.5820 63 S 4.6713 9.4391 117.4581 56.7770 66.4593 173.2034 64 G 4.5632 8.8638 108.9012 44.0493 0.0000 171.7852 65 S 4.6992 8.9331 114.6937 57.1444 67.0865 173.2788 66 G 4.1589 8.1226 106.8212 43.3863 0.0000 171.9377 67 S 4.2852 7.7862 113.9373 58.2930 66.5875 179.7658 68 G 3.7429 7.7603 111.9844 47.3403 0.0000 175.0672 69 T 4.7136 8.4874 115.6433 60.9037 70.2608 171.7009 70 Q 5.0064 7.6697 123.8697 54.8093 32.1762 173.6879 71 Y 5.5112 8.9898 122.8867 56.5778 42.8194 174.3421 72 S 5.3766 9.9145 115.9546 56.8895 67.4306 172.3163 73 L 4.5849 8.8070 123.3891 52.9062 44.5212 174.8063 74 K 4.8368 9.2022 127.7205 54.5195 35.2822 174.5670 75 I 4.4857 8.5451 127.9855 59.1932 39.7471 174.2354 76 N 4.4898 8.9245 128.0611 54.3091 39.3672 175.6015 77 S 4.2248 9.3881 116.1656 57.5675 61.3596 170.9748 78 L 3.9357 8.9233 128.6074 56.1141 42.5765 176.6811 79 Q 4.3797 8.4976 120.8806 53.2703 31.0501 174.9626 80 P 4.7343 0.0000 0.0000 66.0515 31.5014 178.3905 81 D 4.5235 8.1704 115.7571 55.6753 39.4152 176.4820 82 D 4.8351 8.2164 118.7658 54.5097 41.2512 176.6874 83 F 4.4991 7.7532 118.6825 56.7295 39.9965 176.6102 84 G 3.8739 7.6830 109.8532 45.4304 0.0000 171.4830 85 S 5.2468 8.1451 116.0532 57.0810 65.8692 173.2143 86 Y 5.1474 8.6657 119.8926 56.5009 41.3737 174.2876 87 Y 5.5897 9.4628 120.9865 56.4202 42.1937 172.2131 88 C 4.8911 9.1815 117.7561 53.9079 43.1646 172.4570 89 Q 4.8284 8.5143 120.9513 54.9333 32.2572 173.4080 90 H 5.3682 8.0948 121.2207 53.7757 31.2681 173.9330 91 F 4.7597 9.1332 116.4353 57.0428 40.1889 175.1939 92 W 4.4208 8.9762 129.7024 56.6154 31.2851 176.1458 93 S 3.0181 7.6736 123.5757 58.9819 61.1767 170.9619 94 T 4.6013 7.8373 106.8207 59.0583 71.5134 171.8428 95 P 4.3932 0.0000 0.0000 62.8057 32.1779 175.5865 96 R 4.2728 7.8390 118.1091 55.4392 32.0030 175.5906 97 S 4.5592 7.4513 112.9861 57.7276 66.2047 173.1066 98 F 5.1498 8.6807 118.7835 55.4871 41.7703 175.8643 99 G 4.3045 9.0763 111.5732 44.6580 0.0000 174.3772 100 G 3.6910 8.5654 107.7332 46.8665 0.0000 175.1736 101 G 3.6748 8.7844 105.1186 45.6096 0.0000 172.5563 102 T 4.7769 8.6774 117.1925 61.3239 72.0000 172.9189 103 K 4.7303 9.2044 128.7307 55.1015 34.0116 174.7881 104 L 5.1057 9.3699 131.1059 53.9684 43.5341 174.8769 105 E 5.0876 9.4305 126.4425 54.3654 33.2549 176.5183 106 I 3.5390 7.5720 120.3024 60.3049 37.9629 175.5554 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 8.36 4.62 0.00 2.68 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 2 I 8.36 4.09 1.72 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 1.37 0.65 0.92 0.00 0.00 3 V 9.19 4.41 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 0.76 0.00 0.00 0.96 0.00 0.00 4 L 8.44 5.24 0.00 1.67 1.53 0.89 0.68 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 5 T 9.59 4.96 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 1.26 0.00 0.00 6 Q 8.82 5.43 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.71 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 7 S 9.25 4.86 0.00 3.84 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 8 P 0.00 4.79 0.00 2.39 2.14 0.00 3.79 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 1.97 0.00 9 A 8.47 4.33 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 10 S 7.87 5.18 0.00 3.73 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 11 L 8.80 4.58 0.00 1.77 1.50 0.93 0.90 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 12 S 8.76 5.44 0.00 3.80 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 13 A 9.51 4.78 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 14 S 8.76 4.70 0.00 3.95 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 15 V 8.25 4.02 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 0.89 0.00 0.00 1.15 0.00 0.00 16 G 10.26 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 17 E 7.90 4.46 0.00 2.10 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 0.00 2.28 2.27 0.00 18 T 8.25 5.09 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 1.12 0.00 0.00 19 V 8.87 4.57 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 0.63 0.00 0.00 0.70 0.00 0.00 20 T 8.33 5.10 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 1.19 0.00 0.00 21 I 8.79 4.67 1.89 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.66 0.77 0.00 0.00 22 T 9.10 5.33 4.52 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 1.31 0.00 0.00 23 C 9.51 5.48 0.00 2.80 2.97 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 24 R 9.54 5.36 0.00 1.78 1.82 0.00 3.15 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 25 A 9.08 4.98 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 26 G 9.00 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 27 G 7.40 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 0.00 0.00 0.00 0.00 28 N 8.62 4.18 0.00 2.53 2.46 0.00 0.00 6.92 7.70 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 29 T 8.27 4.24 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 1.18 0.00 0.00 30 H 8.90 3.98 0.00 3.03 3.39 0.00 5.96 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 31 N 8.33 4.46 0.00 2.62 1.97 0.00 0.00 6.92 6.77 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 32 Y 8.00 4.85 0.00 3.36 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 33 L 7.69 5.13 0.00 0.88 0.95 0.22 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 34 A 9.50 5.35 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 35 W 8.83 5.45 0.00 3.23 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 36 Y 9.47 5.35 0.00 3.17 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 37 Q 9.37 4.73 0.00 1.87 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 1.91 1.16 0.00 38 Q 9.25 4.79 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.49 0.00 0.00 0.00 0.00 0.00 2.27 2.43 0.00 39 K 8.55 4.82 0.00 1.76 1.72 0.00 1.80 0.00 0.00 2.02 0.00 0.00 2.80 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.42 7.81 40 Q 8.72 4.04 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.29 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 41 G 9.17 3.89 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 42 K 7.86 4.72 0.00 1.75 1.54 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.27 1.20 7.81 43 S 8.25 4.65 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 44 P 0.00 4.68 0.00 1.78 1.97 0.00 3.51 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.94 0.00 45 Q 9.14 4.79 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 46 L 8.96 4.26 0.00 1.83 1.66 0.77 0.95 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 47 L 9.36 4.57 0.00 1.62 1.45 0.93 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.63 5.14 2.30 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 1.12 0.00 0.00 0.93 0.00 0.00 49 Y 8.58 5.06 0.00 2.94 2.89 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 50 Y 9.41 3.88 0.00 3.09 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 51 T 8.35 3.89 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 1.41 0.00 0.00 52 T 7.54 4.57 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 53 T 7.71 4.05 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 0.88 0.00 0.00 54 L 8.38 4.62 0.00 1.53 1.61 1.05 0.95 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 55 A 9.30 4.73 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 56 A 8.58 4.14 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 57 G 8.85 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 0.00 0.00 0.00 58 V 7.50 4.02 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 0.66 0.00 0.00 0.97 0.00 0.00 59 P 0.00 4.48 0.00 2.45 2.05 0.00 3.88 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.20 0.00 *60 S 8.67 4.31 0.00 3.63 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 61 R 7.97 4.05 0.00 1.69 2.03 0.00 2.69 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.03 0.00 62 F 7.82 5.18 0.00 2.99 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 63 S 9.44 4.67 0.00 3.74 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 64 G 8.86 4.56 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 0.00 0.00 0.00 65 S 8.93 4.70 0.00 3.85 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 66 G 8.12 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 67 S 7.79 4.29 0.00 3.85 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 68 G 7.76 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 69 T 8.49 4.71 4.46 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 1.20 0.00 0.00 70 Q 7.67 5.01 0.00 1.99 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.77 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 71 Y 8.99 5.51 0.00 3.23 3.01 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 72 S 9.91 5.38 0.00 3.85 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 73 L 8.81 4.58 0.00 0.27 0.36 0.50 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 74 K 9.20 4.84 0.00 1.68 1.48 0.00 1.53 0.00 0.00 1.55 0.00 0.00 2.78 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.20 1.33 7.81 75 I 8.55 4.49 1.50 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.16 0.04 0.00 0.00 76 N 8.92 4.49 0.00 2.62 2.59 0.00 0.00 7.52 7.42 0.00 0.00 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 S 9.39 4.22 0.00 4.02 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 78 L 8.92 3.94 0.00 1.54 1.35 0.80 0.34 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 79 Q 8.50 4.38 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 80 P 0.00 4.73 0.00 2.27 2.24 0.00 3.66 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.21 0.00 81 D 8.17 4.52 0.00 2.87 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 82 D 8.22 4.84 0.00 2.42 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.75 4.50 0.00 3.12 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 84 G 7.68 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 85 S 8.15 5.25 0.00 3.76 3.46 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 86 Y 8.67 5.15 0.00 3.04 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 87 Y 9.46 5.59 0.00 3.18 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 88 C 9.18 4.89 0.00 2.12 1.20 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 0.00 89 Q 8.51 4.83 0.00 1.85 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.72 0.00 0.00 0.00 0.00 0.00 1.39 1.16 0.00 90 H 8.09 5.37 0.00 3.24 3.18 0.00 5.75 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 9.13 4.76 0.00 3.05 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 92 W 8.98 4.42 0.00 3.68 3.12 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 93 S 7.67 3.02 0.00 3.14 3.32 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 94 T 7.84 4.60 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 1.12 0.00 0.00 95 P 0.00 4.39 0.00 2.15 2.07 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.11 0.00 96 R 7.84 4.27 0.00 1.34 1.29 0.00 3.18 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.27 0.00 97 S 7.45 4.56 0.00 3.86 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 98 F 8.68 5.15 0.00 2.83 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 99 G 9.08 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 0.00 0.00 0.00 0.00 100 G 8.57 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.78 3.67 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 0.00 102 T 8.68 4.78 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 1.35 0.00 0.00 103 K 9.20 4.73 0.00 1.91 1.73 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.37 1.24 7.81 104 L 9.37 5.11 0.00 1.96 1.94 1.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 105 E 9.43 5.09 0.00 1.90 1.78 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 2.28 2.40 0.00 106 I 7.57 3.54 0.56 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 0.89 0.48 0.62 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.