NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.3318 8.1727 120.1260 56.4671 34.8188 174.5112 6 S 4.5074 7.9502 115.1740 57.3393 64.9349 172.8134 7 C 4.3850 9.1505 125.9910 55.9466 41.3773 171.2126 8 P 4.7091 0.0000 0.0000 61.9268 31.8802 176.3999 9 N 4.3123 9.0536 121.0459 53.8398 39.1519 172.4008 10 P 3.7869 0.0000 0.0000 66.1785 31.5902 175.2180 11 G 3.6392 7.6521 100.3487 44.1853 0.0000 172.0637 12 Q 4.5330 8.3379 119.0046 54.0714 31.3870 174.9766 13 I 4.1718 8.0160 126.9953 59.7602 38.4270 176.0329 14 R 4.1353 8.3828 124.9187 57.3288 29.5550 172.4805 15 N 4.1505 8.4733 119.5866 52.8526 35.5343 173.6351 16 G 4.4562 7.8858 104.4585 44.8777 0.0000 172.1308 17 Q 4.7094 8.9509 119.4828 54.2140 32.7004 173.7673 18 I 4.9625 8.4614 125.9490 59.7654 39.5432 174.4137 19 D 4.8036 8.7793 127.2521 52.6956 43.4161 175.9382 20 V 4.7561 8.1352 123.0095 59.5478 31.9123 173.9400 21 P 4.3844 0.0000 0.0000 62.7889 31.7625 177.7491 22 G 4.9580 8.2421 122.0969 46.4003 0.0000 172.3969 23 G 3.9948 7.8325 108.6687 45.3571 0.0000 171.3482 24 I 4.8387 7.8855 107.6532 60.4600 39.6428 175.5132 25 L 4.6093 7.8660 123.4004 53.9681 43.5263 175.5915 26 F 4.0674 8.2347 122.4341 60.4304 38.7674 174.7833 27 G 3.6870 7.5214 114.3209 45.4449 0.0000 174.0066 28 A 4.3527 7.8715 121.3761 52.1960 19.8995 176.7894 29 T 5.3481 8.4623 115.7202 61.8880 71.8148 173.5086 30 I 4.4949 8.5175 120.1911 59.3025 40.4748 174.9004 31 S 4.7205 8.3831 119.9483 56.8811 65.5166 173.0469 32 F 5.7103 8.2310 121.3276 56.1227 41.6793 174.8259 33 S 4.7384 8.6982 115.1611 57.6598 66.8828 171.9995 34 C 5.4604 8.4344 116.7824 54.8067 41.6875 174.0043 35 N 4.6065 8.8866 120.2805 53.3037 39.7196 174.6825 36 T 3.8186 8.3270 117.0978 65.3598 69.1215 174.9204 37 G 3.6723 10.1262 112.9000 45.3407 0.0000 171.8681 38 Y 5.6083 7.6001 114.4151 56.2894 42.3833 174.5738 39 K 4.6180 8.8318 122.3343 55.0088 35.8653 174.9072 40 L 4.8626 8.0808 123.2082 54.6230 43.8442 176.3378 41 F 4.4053 9.5773 122.8050 59.3155 42.3614 172.9648 42 G 3.8843 8.8439 114.3341 44.3844 0.0000 172.2411 43 S 4.3717 8.4450 119.1067 59.2347 63.5654 174.0178 44 T 4.6538 8.4951 112.3248 62.3907 70.5439 173.6188 45 S 4.6183 7.9097 114.9641 57.3264 65.9764 172.6888 46 S 4.9660 8.7372 116.6535 56.7707 66.2967 172.2597 47 F 5.5290 10.0854 128.0228 56.6612 42.8319 173.4836 48 C 4.2544 8.5800 126.9184 55.5956 39.7187 172.3354 49 L 4.6156 8.0175 127.7462 53.4073 43.4124 175.7731 50 I 5.3701 7.7868 114.6913 58.4095 37.7018 174.8979 51 S 4.1319 7.8580 117.8812 59.1519 64.3145 173.4998 52 G 4.1203 9.3451 118.6647 46.8252 0.0000 175.5536 *53 S 4.6618 8.5114 113.5406 56.7040 64.4683 176.4035 54 S 4.8014 8.6952 115.6109 57.3392 66.9268 172.6842 55 V 4.7366 8.1103 120.8931 61.4948 32.7660 174.5681 56 Q 4.3718 8.3199 124.7199 54.8557 32.3937 173.5486 57 W 4.8305 8.4693 119.3789 56.7829 29.4012 177.0891 58 S 4.5761 9.2839 117.8388 60.7212 63.3543 174.2197 59 D 5.2760 8.3256 118.0794 51.3857 44.1971 174.4942 60 P 4.5225 0.0000 0.0000 61.8098 32.5073 176.2494 61 L 3.1027 7.9884 119.9439 54.3327 41.9928 175.4790 62 P 4.7606 0.0000 0.0000 61.8408 33.7544 174.1311 63 E 4.7919 8.8188 116.4735 54.7891 33.1831 174.6572 64 C 5.5152 8.6745 117.1546 55.5412 37.0948 173.7326 65 R 4.7019 8.8953 123.5918 54.6386 31.8177 176.2866 66 E 3.5831 8.6244 122.5057 56.4663 29.9755 176.5844 67 I 3.8690 7.6261 126.3072 61.0838 37.6930 175.0176 68 Y 5.1685 8.3161 124.5500 56.3542 40.2426 176.5356 69 C 5.1321 9.3140 121.1601 55.1677 41.4533 171.6297 70 P 4.5800 0.0000 0.0000 61.6811 32.2189 175.7038 71 A 4.3293 8.4900 121.6608 51.4037 18.6724 175.7084 72 P 3.8291 0.0000 0.0000 61.4146 31.8013 174.6153 73 P 4.3632 0.0000 0.0000 63.2320 31.5096 174.9895 74 Q 4.7754 8.3535 116.8116 53.8741 31.3469 175.2343 75 I 4.4861 8.0754 114.3734 58.6338 39.7650 175.3533 76 D 4.3368 8.4860 123.5601 55.6287 41.4727 175.8327 77 N 3.8722 8.4981 117.0384 53.5984 36.1119 173.7860 78 G 4.4283 6.9676 102.0495 46.0024 0.0000 173.0057 79 I 4.7838 8.4067 113.4174 59.3198 42.0488 174.1503 80 I 4.1662 7.9848 122.8947 59.6961 37.4253 176.0341 81 Q 3.9207 8.3318 128.5431 56.5623 26.8836 174.2977 82 G 3.5895 8.3616 112.7137 45.3661 0.0000 170.5745 83 E 4.2469 8.0244 123.5567 56.4113 30.8225 176.0571 84 R 4.4917 9.5530 125.7466 54.6923 32.6729 177.2149 85 D 4.3796 8.3826 118.6148 56.1540 39.9574 177.5514 86 H 4.8634 7.3121 114.2074 53.7943 33.0471 172.5962 87 Y 4.7362 8.7906 118.8134 56.3964 40.9182 175.4068 88 G 4.3453 8.7217 110.8912 43.8105 0.0000 171.7453 89 Y 4.5366 8.2864 119.8151 59.2879 39.0182 176.3665 90 R 4.0658 7.7616 126.8766 56.6483 30.0843 177.3672 91 Q 4.2201 8.0020 117.4915 55.7388 29.1620 175.7609 92 S 5.6894 8.6680 116.9100 56.6601 66.2475 173.0856 93 V 4.6552 8.3405 111.3632 60.0677 35.8659 175.1079 94 T 4.9635 8.3705 119.8444 62.1412 71.4679 173.0949 95 Y 5.0267 9.0926 124.0663 56.8160 40.4256 174.7325 96 A 4.7911 8.8351 121.1220 51.0251 23.1487 175.0172 97 C 5.1505 8.6592 116.7910 55.5592 43.6917 173.2155 98 N 4.7252 8.6089 118.1082 51.9358 39.8870 176.7631 99 K 4.0838 8.7523 116.9478 57.8275 31.5577 177.1137 100 G 4.1635 8.1627 101.2333 45.6200 0.0000 172.0827 101 F 4.8807 8.6038 120.5443 56.2429 40.2951 175.5119 102 T 4.4299 10.1156 114.7634 60.6791 70.4732 173.9355 103 M 4.4477 8.6973 125.9405 55.7212 33.1639 176.2237 104 I 4.2666 9.0866 127.0669 56.8681 37.2133 174.1759 105 G 3.8491 8.4238 115.8433 43.8227 0.0000 173.1533 106 E 4.0928 8.6697 121.1435 56.7958 28.1643 177.0251 107 H 4.1271 8.9256 121.1104 58.3061 29.1455 175.3746 108 S 5.3501 7.8556 111.7912 56.5329 66.3309 172.3918 109 I 4.9054 8.2671 114.8951 59.7988 41.1735 173.2344 110 Y 5.4991 8.8610 117.9533 56.1031 41.8145 173.3145 111 C 4.1169 9.2925 122.4595 56.5733 45.5689 172.6739 112 T 4.9109 8.3689 116.4746 60.1415 71.8404 173.5592 113 V 4.6110 7.7047 115.0028 59.6906 34.6618 175.7026 114 N 4.1914 8.7939 117.7192 54.8438 41.2121 174.0711 115 N 4.0526 8.8052 125.3988 53.7921 34.7867 172.8520 116 D 4.3568 8.0132 116.7651 55.4728 39.0963 175.2586 117 E 4.6628 7.4026 113.9055 55.4818 35.0051 177.3512 118 G 4.1467 8.6549 112.3716 44.4344 0.0000 172.4295 119 E 5.0111 8.8158 123.4127 54.0868 33.2891 175.1763 120 W 5.0447 8.6258 120.5398 56.0394 29.9984 176.6287 121 S 4.4117 9.2133 119.3783 61.3908 62.7917 174.0668 122 G 4.1970 7.8463 106.2638 42.9010 0.0000 169.6432 123 P 4.5485 0.0000 0.0000 61.1871 32.4273 173.8493 124 P 4.2079 0.0000 0.0000 61.5639 32.4255 173.8827 125 P 4.7000 0.0000 0.0000 62.1988 32.7802 174.0752 126 E 4.7055 8.4464 119.7876 54.5612 33.5304 174.0861 127 C 5.0584 8.5983 118.2266 55.3769 41.6754 173.4841 128 R 4.7321 9.1760 125.6184 54.3238 32.0471 176.5490 129 G 3.1240 8.4870 113.7552 45.4859 0.0000 172.9038 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 5 K 8.17 4.33 0.00 1.91 2.04 0.00 1.31 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.48 7.81 6 S 7.95 4.51 0.00 3.89 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 7 C 9.15 4.38 0.00 2.61 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 0.00 0.00 0.00 0.00 8 P 0.00 4.71 0.00 2.23 2.09 0.00 3.62 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 9 N 9.05 4.31 0.00 2.72 2.82 0.00 0.00 7.02 7.69 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 10 P 0.00 3.79 0.00 1.99 1.86 0.00 3.77 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 11 G 7.65 3.64 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 0.00 0.00 0.00 12 Q 8.34 4.53 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.72 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 13 I 8.02 4.17 1.81 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.71 0.85 0.00 0.00 14 R 8.38 4.14 0.00 1.83 1.74 0.00 3.37 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 15 N 8.47 4.15 0.00 2.39 1.54 0.00 0.00 7.23 7.59 0.00 0.00 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 G 7.89 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 0.00 0.00 0.00 0.00 17 Q 8.95 4.71 0.00 2.12 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.70 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 18 I 8.46 4.96 1.87 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 1.60 0.82 0.86 0.00 0.00 19 D 8.78 4.80 0.00 2.51 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 V 8.14 4.76 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 1.13 0.00 0.00 0.92 0.00 0.00 21 P 0.00 4.38 0.00 2.20 2.14 0.00 4.08 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 22 G 8.24 4.96 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 23 G 7.83 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 0.00 0.00 0.00 24 I 7.89 4.84 2.37 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 1.42 1.20 1.17 0.00 0.00 25 L 7.87 4.61 0.00 1.61 1.82 0.93 0.95 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 26 F 8.23 4.07 0.00 2.90 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 27 G 7.52 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 28 A 7.87 4.35 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 29 T 8.46 5.35 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 1.33 0.00 0.00 30 I 8.52 4.49 1.72 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.42 0.86 0.00 0.00 31 S 8.38 4.72 0.00 3.62 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 32 F 8.23 5.71 0.00 2.89 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 33 S 8.70 4.74 0.00 3.82 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 34 C 8.43 5.46 0.00 2.97 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 35 N 8.89 4.61 0.00 2.59 2.78 0.00 0.00 6.94 7.09 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 36 T 8.33 3.82 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 0.70 0.00 0.00 37 G 10.13 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 38 Y 7.60 5.61 0.00 2.99 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 39 K 8.83 4.62 0.00 1.49 1.94 0.00 1.28 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.41 0.00 0.00 0.00 0.00 1.44 1.68 7.81 40 L 8.08 4.86 0.00 1.61 1.48 0.95 0.73 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 41 F 9.58 4.41 0.00 2.99 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 42 G 8.84 3.88 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 0.00 0.00 0.00 43 S 8.44 4.37 0.00 4.09 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 44 T 8.50 4.65 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 1.23 0.00 0.00 45 S 7.91 4.62 0.00 3.76 3.70 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 46 S 8.74 4.97 0.00 4.29 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 47 F 10.09 5.53 0.00 3.08 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 48 C 8.58 4.25 0.00 1.88 2.37 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 49 L 8.02 4.62 0.00 2.05 2.15 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.79 5.37 1.44 0.00 0.00 0.50 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 1.26 0.76 0.00 0.00 51 S 7.86 4.13 0.00 3.92 3.73 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 52 G 9.35 4.12 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 0.00 0.00 0.00 *53 S 8.51 4.66 0.00 3.59 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 54 S 8.70 4.80 0.00 3.74 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 55 V 8.11 4.74 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 0.69 0.00 0.00 0.83 0.00 0.00 56 Q 8.32 4.37 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 57 W 8.47 4.83 0.00 3.29 3.28 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 58 S 9.28 4.58 0.00 4.08 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 59 D 8.33 5.28 0.00 2.89 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 60 P 0.00 4.52 0.00 2.13 2.05 0.00 3.82 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 1.97 1.99 0.00 61 L 7.99 3.10 0.00 1.38 1.33 0.50 0.91 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 62 P 0.00 4.76 0.00 2.02 2.24 0.00 2.81 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.79 0.00 63 E 8.82 4.79 0.00 2.02 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 2.27 2.28 0.00 64 C 8.67 5.52 0.00 2.86 3.07 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 65 R 8.90 4.70 0.00 1.86 1.77 0.00 2.84 0.00 0.00 2.53 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 66 E 8.62 3.58 0.00 1.37 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 1.57 2.31 0.00 67 I 7.63 3.87 1.60 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.31 0.80 0.00 0.00 68 Y 8.32 5.17 0.00 2.85 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 69 C 9.31 5.13 0.00 2.16 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 0.00 0.00 0.00 70 P 0.00 4.58 0.00 2.33 2.19 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.13 0.00 71 A 8.49 4.33 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 72 P 0.00 3.83 0.00 1.61 0.77 0.00 4.05 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.43 0.00 73 P 0.00 4.36 0.00 2.15 2.09 0.00 3.22 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.88 0.00 74 Q 8.35 4.78 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.72 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 75 I 8.08 4.49 1.81 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 1.63 0.69 0.76 0.00 0.00 76 D 8.49 4.34 0.00 2.67 2.55 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 77 N 8.50 3.87 0.00 2.41 1.42 0.00 0.00 6.72 7.58 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 78 G 6.97 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 0.00 0.00 0.00 0.00 79 I 8.41 4.78 1.81 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 1.19 0.76 0.87 0.00 0.00 80 I 7.98 4.17 1.68 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.18 0.72 0.00 0.00 81 Q 8.33 3.92 0.00 1.93 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.24 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 82 G 8.36 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.02 4.25 0.00 1.91 1.86 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 2.48 2.45 0.00 84 R 9.55 4.49 0.00 0.67 1.26 0.00 3.02 0.00 0.00 2.80 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.41 0.00 85 D 8.38 4.38 0.00 2.69 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 86 H 7.31 4.86 0.00 2.59 1.55 0.00 5.61 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 87 Y 8.79 4.74 0.00 3.08 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 88 G 8.72 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 0.00 0.00 0.00 0.00 89 Y 8.29 4.54 0.00 2.71 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 90 R 7.76 4.07 0.00 1.82 2.00 0.00 3.14 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.50 0.00 91 Q 8.00 4.22 0.00 2.49 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.53 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 92 S 8.67 5.69 0.00 4.46 4.13 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 93 V 8.34 4.66 1.69 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 0.18 0.00 0.00 0.62 0.00 0.00 94 T 8.37 4.96 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 1.26 0.00 0.00 95 Y 9.09 5.03 0.00 2.83 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 96 A 8.84 4.79 1.21 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 0.00 0.00 0.00 97 C 8.66 5.15 0.00 2.95 3.21 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 0.00 98 N 8.61 4.73 0.00 2.48 2.77 0.00 0.00 7.05 6.74 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 99 K 8.75 4.08 0.00 1.76 1.86 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.47 7.81 100 G 8.16 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 0.00 101 F 8.60 4.88 0.00 3.09 3.06 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 0.00 102 T 10.12 4.43 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 1.19 0.00 0.00 103 M 8.70 4.45 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 104 I 9.09 4.27 1.85 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 1.15 1.05 0.89 0.00 0.00 105 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 0.00 106 E 8.67 4.09 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 2.37 2.37 0.00 107 H 8.93 4.13 0.00 3.18 3.41 0.00 5.56 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 S 7.86 5.35 0.00 4.09 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 0.00 109 I 8.27 4.91 2.10 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.87 0.90 0.00 0.00 110 Y 8.86 5.50 0.00 3.07 3.06 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 0.00 111 C 9.29 4.12 0.00 2.17 3.07 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 0.00 112 T 8.37 4.91 4.20 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 0.91 0.00 0.00 113 V 7.70 4.61 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 0.43 0.00 0.00 0.54 0.00 0.00 114 N 8.79 4.19 0.00 2.62 2.64 0.00 0.00 7.13 7.56 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 0.00 115 N 8.81 4.05 0.00 2.96 2.77 0.00 0.00 7.05 8.06 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 0.00 116 D 8.01 4.36 0.00 2.72 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 0.00 117 E 7.40 4.66 0.00 1.61 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 2.22 1.87 0.00 118 G 8.65 4.15 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 0.00 0.00 0.00 119 E 8.82 5.01 0.00 2.01 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 0.00 2.10 2.19 0.00 120 W 8.63 5.04 0.00 3.21 3.20 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 0.00 121 S 9.21 4.41 0.00 4.17 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 7.85 4.20 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 0.00 0.00 0.00 123 P 0.00 4.55 0.00 2.13 2.03 0.00 3.77 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 2.34 1.93 0.00 124 P 0.00 4.21 0.00 1.46 1.50 0.00 3.66 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.80 0.00 125 P 0.00 4.70 0.00 1.95 2.08 0.00 2.20 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 126 E 8.45 4.71 0.00 1.92 1.77 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 2.18 2.22 0.00 127 C 8.60 5.06 0.00 2.99 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 0.00 128 R 9.18 4.73 0.00 1.90 1.78 0.00 3.04 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 129 G 8.49 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.