NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5453 8.3493 120.1871 54.7661 41.5629 175.1077 3 T 4.1737 8.1774 117.0609 61.4663 69.1827 174.6046 4 N 4.4731 8.7903 121.7381 56.4037 38.8365 178.6883 5 G 3.5815 7.9778 107.1670 47.5854 0.0000 175.8984 6 V 3.5618 7.6126 120.2751 65.5766 31.5796 177.5531 7 L 3.9724 8.1230 120.2423 58.4252 41.6944 178.3483 8 Y 3.9901 8.0546 117.7896 60.6395 38.8598 177.5546 9 A 4.1392 8.0020 120.2079 55.1824 18.7692 179.1970 10 A 4.4057 8.2476 120.9099 54.5003 18.5523 180.4614 11 N 4.4954 8.3021 115.8193 53.9689 39.1127 177.0351 *13 T 4.4654 7.9229 116.4156 63.3434 70.7243 176.2811 14 N 4.1854 8.3141 118.3991 56.0375 38.3775 177.0388 15 A 4.0046 8.0088 122.2213 55.1346 18.2742 179.5768 16 L 3.7820 7.9858 117.2784 58.0884 41.5223 179.6386 17 A 3.7729 7.3504 118.7148 54.7141 18.3191 179.3752 18 K 4.1114 7.8631 116.5678 59.0148 32.1871 178.5142 19 E 4.4949 8.1408 116.9462 55.7692 30.6499 176.2369 20 I 4.3503 7.2914 120.4577 58.8510 38.4163 174.0229 21 P 4.3109 0.0000 0.0000 62.4076 31.9220 176.9992 22 E 2.0000 8.1421 120.7213 58.4789 29.0061 179.1117 23 S 4.0842 7.8275 112.8980 60.4360 62.6116 175.3430 24 K 4.4935 8.0258 120.6769 56.2646 32.4985 177.7474 25 W 4.5807 8.4172 120.2787 58.4929 28.7588 176.9304 26 D 5.0386 7.9321 116.7598 53.8699 40.8446 175.5248 27 I 4.2249 7.2352 120.3196 59.7957 38.0755 175.3387 28 Q 4.1666 8.5830 127.0376 55.9117 29.5416 175.2935 29 L 4.2976 8.6911 125.9247 56.6458 42.4576 176.9266 30 I 4.7287 7.1335 109.8960 58.0785 40.6239 174.2657 31 P 4.2610 0.0000 0.0000 65.5422 31.2737 177.7672 32 E 4.1708 7.9937 115.9423 57.7177 29.8122 176.3306 33 L 4.7569 7.3323 117.6066 52.4354 45.4788 176.5376 34 G 3.9302 8.4082 110.1408 44.6950 0.0000 173.7973 35 T 4.1633 8.0952 109.5859 61.2097 70.6179 175.1495 36 L 3.2181 8.2243 121.2834 57.5800 41.4325 179.6398 37 R 3.6314 7.9694 118.8083 59.2929 30.0303 178.4011 38 K 3.8422 7.8467 119.2844 59.2850 32.0680 178.4282 39 L 3.7914 7.5203 120.4663 58.2150 41.9757 179.0424 40 F 4.3577 7.6647 117.9337 60.6210 38.7779 177.6861 41 I 3.7513 8.0387 119.7046 64.6158 36.8143 177.9505 42 H 4.1966 8.3248 118.9641 59.3091 29.7243 177.3123 43 I 3.6738 8.0980 121.9744 64.3702 36.9754 178.5657 44 V 3.5655 7.8523 118.9115 65.9370 31.4040 177.8219 45 R 3.8463 7.9592 118.3918 59.6186 29.9281 178.6796 46 V 3.4951 7.9703 117.9806 65.8870 31.4589 177.9940 47 R 4.1006 8.1113 117.8737 59.7273 29.9432 178.8419 48 D 4.2982 8.1960 118.3750 57.0503 40.7311 179.0450 49 V 3.2351 7.4712 118.9105 66.1737 31.3937 177.8150 50 Y 4.2479 7.5722 116.3749 60.7617 37.6010 178.3516 51 R 3.7922 8.2577 120.0912 59.7044 30.2248 178.4539 52 D 4.4705 8.3041 118.7721 56.9987 40.6340 179.0311 53 G 3.6820 7.9807 106.5188 47.4079 0.0000 175.7649 54 L 3.9532 7.7329 120.5075 57.4008 41.6447 179.5604 55 K 4.2398 7.8700 117.8625 59.2307 32.1594 178.7755 56 T 4.4426 8.1089 107.8011 61.5498 69.7874 175.8756 57 G 2.9908 9.1902 110.5535 44.6320 0.0000 172.7835 58 S 4.7080 7.6309 113.9415 56.4401 65.3675 172.7394 59 I 4.1181 8.6225 129.4424 60.6544 37.6045 176.3203 60 K 4.3893 7.8654 123.9661 54.2962 32.6604 175.9322 61 F 4.3427 8.1806 121.5208 56.0095 39.9346 174.3835 62 P 4.5035 0.0000 0.0000 64.5513 31.7127 175.0816 63 G 3.6472 8.0115 102.4576 44.1632 0.0000 172.6257 64 R 4.4868 8.0138 116.8453 54.3766 31.6468 176.5058 65 L 4.1849 8.1698 120.0527 54.1906 42.3731 177.0475 66 A 4.1159 8.2635 123.1873 51.9498 18.8869 177.7353 67 S 4.1719 8.5837 115.9851 59.1324 62.7787 174.0614 68 D 4.6718 8.7622 127.5267 55.3629 41.2434 177.3486 69 E 4.5158 8.0786 114.4892 55.7849 31.9344 181.2337 70 H 5.0997 7.7668 113.0987 53.6555 31.7939 174.5455 71 R 4.1539 8.4262 122.0573 56.1303 31.8703 177.8835 72 L 3.9860 8.6412 123.2816 58.1842 42.2072 179.0958 73 L 3.8654 8.1225 119.8552 58.4367 41.9740 178.6548 74 D 4.3734 8.0750 118.2024 57.3812 40.7342 178.4555 75 E 3.9756 8.4766 119.3301 59.2796 29.1986 179.3477 76 L 3.9309 7.9297 118.6027 57.5932 41.6965 178.9328 77 E 4.0357 7.8783 118.3366 59.1924 29.9124 178.4671 78 R 4.0908 8.2736 119.3836 59.2834 30.2506 179.6661 79 S 4.3468 8.1600 112.0211 58.9754 62.8033 175.8342 *81 E 4.3472 8.1512 123.4238 57.4098 31.4247 178.2089 82 E 4.0918 8.6079 118.6321 59.0391 29.3967 179.2239 83 L 3.9589 7.9685 120.2861 58.0857 42.2523 178.9198 84 V 3.8123 8.0263 117.7947 66.2919 31.4726 177.5307 85 F 4.1468 8.5112 120.1427 61.4769 39.3609 176.9609 86 E 3.9781 8.4803 118.2108 59.3211 28.9667 179.3649 87 F 4.2876 8.0715 117.2758 60.5261 39.0293 177.5700 88 K 4.1338 8.1042 117.5955 58.7743 31.9177 178.5573 89 Q 4.1377 7.4686 115.6548 56.1152 29.5916 176.1982 90 T 3.9661 7.1867 115.7570 62.5161 67.8518 173.5573 91 T 4.5664 8.0009 115.2280 61.0612 69.6617 174.1106 92 F 4.4891 7.7399 121.2260 58.1253 39.1349 175.0950 93 N 4.7613 8.9916 120.9586 54.9674 39.3419 175.1777 94 S 4.9920 7.8602 110.0207 56.7675 66.5679 173.6558 95 I 4.4350 8.8462 122.3054 59.3949 40.4302 175.9977 96 K 3.8042 7.9843 128.8759 53.8695 34.1569 176.9938 *98 G 4.1140 8.5842 112.1767 46.3243 0.0000 176.4905 99 E 4.1598 8.9552 121.1940 56.9337 30.0625 175.4093 100 N 5.1210 7.7441 114.1731 52.6868 40.8067 172.9062 101 Y 4.8437 8.3906 116.3806 56.3161 41.2948 175.0835 102 L 5.0353 8.8642 124.3389 52.8109 44.1308 176.6605 103 S 4.7433 9.4175 118.9001 57.5640 64.7702 176.0943 104 I 4.1416 7.9155 118.2974 61.8893 36.3496 178.4947 *106 E 4.2468 8.3549 121.7744 56.4738 31.5419 178.2116 107 L 3.8566 8.2491 120.1219 57.9983 42.1222 178.5936 108 L 3.7930 8.4232 120.8596 58.0405 41.8424 179.2457 109 G 3.5601 7.9397 105.0157 48.1570 0.0000 175.5616 110 T 3.8734 8.0264 118.6447 66.1574 68.4036 176.8404 111 V 3.5931 7.7742 120.0163 66.1620 31.6429 178.1887 112 I 3.7068 7.7292 119.4740 64.4106 36.8603 178.2134 113 Q 3.9456 8.4637 120.8524 59.3705 28.9403 177.8354 114 H 4.1832 8.5544 119.4529 59.2807 29.9198 176.9488 115 E 4.0471 8.2868 120.5592 59.4591 29.2389 179.6460 116 G 3.5234 8.0604 105.4807 48.5312 0.0000 175.6206 117 I 3.6303 7.9281 122.7868 64.6136 37.1888 178.3572 118 H 4.5806 8.0362 116.5990 58.7623 28.5956 177.8993 119 Q 4.2000 8.2525 120.2066 58.9951 28.2165 179.1895 120 G 3.6492 8.2001 106.9073 47.7454 0.0000 175.6320 121 Q 4.0808 8.3177 120.5912 59.1913 28.8250 178.6839 122 Y 4.0704 8.4629 116.8780 60.1260 37.9607 177.2148 123 Y 4.4169 8.6318 121.6091 61.0228 38.8247 178.5732 124 V 3.4350 7.7119 117.2260 65.8712 31.6632 177.7900 125 A 3.8996 7.6995 120.1362 55.1372 18.1827 179.6613 126 L 3.9245 8.3628 117.8898 57.8215 41.2045 179.8428 127 K 3.8352 7.8343 118.3779 59.6503 31.7757 179.3837 128 Q 4.1031 8.0919 116.8998 57.6992 28.7683 177.5643 129 S 4.6328 7.8581 113.3278 57.5103 63.6104 174.8500 130 G 3.8526 7.5300 109.6897 46.1336 0.0000 173.2847 131 I 4.2091 7.4183 120.4669 59.4047 38.0836 175.8022 132 N 4.3718 8.6376 122.7026 53.3456 38.9860 175.0297 133 L 3.9434 8.1753 121.8753 53.5880 42.8337 175.3627 134 P 4.3362 0.0000 0.0000 62.6074 31.9879 177.7445 135 K 3.9849 9.1995 122.0105 59.8459 31.9692 179.5627 136 Q 4.2453 8.2358 119.2183 59.1129 28.8500 178.3022 137 W 4.5294 8.5696 119.9852 59.6686 28.9449 178.7449 138 V 3.8101 8.0231 117.8422 66.0821 30.9623 178.0395 139 Q 4.0269 8.3458 116.8156 59.1191 28.7177 177.9088 140 D 4.5343 8.6757 118.2528 55.1139 41.4056 177.3472 141 W 4.4674 7.7772 115.5771 55.3767 30.5210 175.2324 142 H 4.6499 7.9473 121.4085 56.4616 28.9456 174.3520 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 D 8.35 4.55 0.00 2.64 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 3 T 8.18 4.17 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 1.28 0.00 0.00 4 N 8.79 4.47 0.00 2.88 2.94 0.00 0.00 6.89 7.20 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 5 G 7.98 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 0.00 0.00 0.00 6 V 7.61 3.56 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 1.19 0.00 0.00 0.57 0.00 0.00 7 L 8.12 3.97 0.00 1.85 1.89 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 8.05 3.99 0.00 3.13 3.18 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 0.00 9 A 8.00 4.14 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.25 4.41 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 11 N 8.30 4.50 0.00 2.92 2.80 0.00 0.00 7.20 7.78 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 *13 T 7.92 4.47 4.43 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 1.28 0.00 0.00 14 N 8.31 4.19 0.00 2.83 2.78 0.00 0.00 6.93 7.91 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 15 A 8.01 4.00 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 16 L 7.99 3.78 0.00 1.90 1.86 1.15 0.44 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 17 A 7.35 3.77 0.27 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 18 K 7.86 4.11 0.00 1.86 1.88 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.58 7.81 19 E 8.14 4.49 0.00 1.97 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 0.00 2.25 2.39 0.00 20 I 7.29 4.35 2.27 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 1.37 0.58 1.11 0.00 0.00 21 P 0.00 4.31 0.00 2.12 2.13 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 22 E 8.14 2.00 0.00 1.16 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 1.91 1.47 0.00 23 S 7.83 4.08 0.00 4.00 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 24 K 8.03 4.49 0.00 2.09 1.97 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.47 7.81 25 W 8.42 4.58 0.00 3.47 3.18 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 0.00 26 D 7.93 5.04 0.00 2.69 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 27 I 7.24 4.22 1.91 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 1.20 0.54 0.93 0.00 0.00 28 Q 8.58 4.17 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.00 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 29 L 8.69 4.30 0.00 1.66 1.69 1.01 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.13 4.73 1.96 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.04 0.92 0.00 0.00 31 P 0.00 4.26 0.00 2.04 2.14 0.00 3.64 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 32 E 7.99 4.17 0.00 1.86 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 0.00 2.27 2.36 0.00 33 L 7.33 4.76 0.00 1.27 1.30 0.07 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.41 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 35 T 8.10 4.16 4.45 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 0.00 0.00 1.25 0.00 0.00 36 L 8.22 3.22 0.00 1.37 0.57 0.97 0.33 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 37 R 7.97 3.63 0.00 2.12 1.96 0.00 3.19 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.85 0.00 38 K 7.85 3.84 0.00 1.85 1.91 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.44 7.81 39 L 7.52 3.79 0.00 1.32 1.07 0.71 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 40 F 7.66 4.36 0.00 2.92 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 41 I 8.04 3.75 2.02 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 1.45 1.05 0.94 0.00 0.00 42 H 8.32 4.20 0.00 3.29 3.56 0.00 5.79 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 43 I 8.10 3.67 2.04 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 1.62 0.87 0.94 0.00 0.00 44 V 7.85 3.57 2.23 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 1.00 0.00 0.00 0.97 0.00 0.00 45 R 7.96 3.85 0.00 2.00 2.12 0.00 3.20 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 46 V 7.97 3.50 2.09 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 1.02 0.00 0.00 0.96 0.00 0.00 47 R 8.11 4.10 0.00 2.08 2.04 0.00 3.22 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.93 0.00 48 D 8.20 4.30 0.00 2.84 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 49 V 7.47 3.24 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 -0.42 0.00 0.00 0.51 0.00 0.00 50 Y 7.57 4.25 0.00 3.18 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 51 R 8.26 3.79 0.00 1.94 2.09 0.00 3.11 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 1.62 1.69 0.00 52 D 8.30 4.47 0.00 2.61 2.62 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 53 G 7.98 3.68 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 0.00 0.00 0.00 54 L 7.73 3.95 0.00 1.64 1.65 -0.14 0.59 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 55 K 7.87 4.24 0.00 1.93 1.91 0.00 1.69 0.00 0.00 1.78 0.00 0.00 3.35 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.63 1.61 7.81 56 T 8.11 4.44 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 57 G 9.19 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 0.00 0.00 0.00 58 S 7.63 4.71 0.00 3.67 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.62 4.12 1.95 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.63 0.76 0.00 0.00 60 K 7.87 4.39 0.00 1.56 1.63 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.29 7.81 61 F 8.18 4.34 0.00 3.02 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 62 P 0.00 4.50 0.00 2.23 2.23 0.00 3.76 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 2.01 1.98 0.00 63 G 8.01 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 0.00 0.00 0.00 64 R 8.01 4.49 0.00 1.78 1.85 0.00 3.19 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 65 L 8.17 4.18 0.00 1.64 1.62 0.93 0.80 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 66 A 8.26 4.12 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 67 S 8.58 4.17 0.00 4.00 3.84 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 68 D 8.76 4.67 0.00 2.70 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 69 E 8.08 4.52 0.00 1.98 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 2.16 2.11 0.00 70 H 7.77 5.10 0.00 3.12 3.19 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.43 4.15 0.00 2.03 1.93 0.00 3.16 0.00 0.00 3.28 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 72 L 8.64 3.99 0.00 1.93 1.92 0.98 0.69 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 73 L 8.12 3.87 0.00 1.96 1.72 0.91 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.08 4.37 0.00 2.91 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 75 E 8.48 3.98 0.00 2.12 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 2.51 2.54 0.00 76 L 7.93 3.93 0.00 1.63 1.78 0.21 1.15 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 77 E 7.88 4.04 0.00 1.94 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 2.31 2.49 0.00 78 R 8.27 4.09 0.00 1.90 1.87 0.00 3.21 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 79 S 8.16 4.35 0.00 4.08 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 *81 E 8.15 4.35 0.00 2.22 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 2.32 2.49 0.00 82 E 8.61 4.09 0.00 2.07 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 2.31 2.44 0.00 83 L 7.97 3.96 0.00 1.95 1.84 0.87 0.89 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 84 V 8.03 3.81 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 1.08 0.00 0.00 1.04 0.00 0.00 85 F 8.51 4.15 0.00 3.33 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 86 E 8.48 3.98 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 2.65 2.51 0.00 87 F 8.07 4.29 0.00 3.23 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 88 K 8.10 4.13 0.00 1.71 1.74 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.65 7.81 89 Q 7.47 4.14 0.00 1.95 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.86 0.00 0.00 0.00 0.00 0.00 2.09 2.23 0.00 90 T 7.19 3.97 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 1.34 0.00 0.00 91 T 8.00 4.57 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 1.14 0.00 0.00 92 F 7.74 4.49 0.00 3.05 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 93 N 8.99 4.76 0.00 2.83 2.90 0.00 0.00 6.54 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 94 S 7.86 4.99 0.00 3.97 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 95 I 8.85 4.44 1.83 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 1.10 1.03 0.88 0.00 0.00 96 K 7.98 3.80 0.00 1.35 1.42 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.15 0.27 7.81 *98 G 8.58 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 0.00 0.00 0.00 99 E 8.96 4.16 0.00 2.00 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 2.22 1.90 0.00 100 N 7.74 5.12 0.00 2.73 2.80 0.00 0.00 6.92 7.48 0.00 0.00 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 Y 8.39 4.84 0.00 2.76 2.86 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 0.00 102 L 8.86 5.04 0.00 1.63 1.60 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 103 S 9.42 4.74 0.00 3.91 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 0.00 104 I 7.92 4.14 1.96 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.14 1.13 0.00 0.00 *106 E 8.35 4.25 0.00 2.32 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 2.31 2.32 0.00 107 L 8.25 3.86 0.00 1.77 1.93 0.51 0.57 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 0.00 108 L 8.42 3.79 0.00 1.37 1.50 0.43 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 109 G 7.94 3.56 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 0.00 110 T 8.03 3.87 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 1.18 0.00 0.00 111 V 7.77 3.59 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 1.17 0.00 0.00 0.91 0.00 0.00 112 I 7.73 3.71 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 1.40 0.82 0.92 0.00 0.00 113 Q 8.46 3.95 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 114 H 8.55 4.18 0.00 3.41 3.58 0.00 5.65 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 0.00 115 E 8.29 4.05 0.00 2.16 1.96 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 2.63 2.52 0.00 116 G 8.06 3.52 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 0.00 117 I 7.93 3.63 1.90 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 1.47 0.63 0.80 0.00 0.00 118 H 8.04 4.58 0.00 3.22 3.40 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Q 8.25 4.20 0.00 1.83 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.11 2.39 0.00 120 G 8.20 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 0.00 0.00 0.00 121 Q 8.32 4.08 0.00 2.41 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 122 Y 8.46 4.07 0.00 3.45 3.18 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 0.00 123 Y 8.63 4.42 0.00 3.32 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 0.00 124 V 7.71 3.43 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 0.94 0.00 0.00 1.12 0.00 0.00 125 A 7.70 3.90 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 0.00 126 L 8.36 3.92 0.00 1.66 1.88 0.73 0.67 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 0.00 127 K 7.83 3.84 0.00 1.64 1.70 0.00 1.56 0.00 0.00 1.52 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.05 0.83 7.81 128 Q 8.09 4.10 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 129 S 7.86 4.63 0.00 4.03 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 0.00 130 G 7.53 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 0.00 131 I 7.42 4.21 1.86 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 1.31 0.62 0.91 0.00 0.00 132 N 8.64 4.37 0.00 2.68 2.73 0.00 0.00 7.12 7.85 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 0.00 133 L 8.18 3.94 0.00 1.66 1.54 1.30 1.07 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 0.00 134 P 0.00 4.34 0.00 1.41 1.69 0.00 2.20 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.60 0.00 135 K 9.20 3.98 0.00 1.82 1.91 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.60 7.81 136 Q 8.24 4.25 0.00 2.24 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.71 2.69 0.00 137 W 8.57 4.53 0.00 3.65 3.34 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 0.00 138 V 8.02 3.81 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 1.18 0.00 0.00 1.08 0.00 0.00 139 Q 8.35 4.03 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.59 0.00 140 D 8.68 4.53 0.00 3.06 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 0.00 141 W 7.78 4.47 0.00 3.36 3.19 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 0.00 142 H 7.95 4.65 0.00 3.29 3.28 0.00 5.69 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 * Residues marked with a * may have inaccurate shift predictions.