NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4048 8.2493 123.5823 52.1043 20.6763 176.8988 2 Q 4.3021 8.3117 127.8619 54.2463 28.2314 172.1779 3 E 4.2489 9.4429 118.2708 56.0461 31.5961 176.9324 4 E 4.6483 8.1390 118.1729 53.9459 31.9135 175.8300 5 E 3.9186 8.6054 120.8657 56.6795 30.0941 175.9786 6 A 4.5389 8.1945 126.6346 49.9296 20.5814 176.1018 7 E 3.9262 8.8193 124.3682 56.5250 29.2093 175.5325 8 Q 4.5709 8.5065 128.0246 54.4876 30.2542 175.2467 9 N 5.1548 8.4481 122.5092 51.3663 39.4344 173.7946 10 L 4.3749 9.5042 120.3164 53.9382 43.4127 178.5414 11 S 4.4403 8.7075 114.4780 60.5782 62.4933 175.8120 12 E 3.9758 8.3235 119.6007 59.3410 29.2784 177.4342 13 L 4.4754 7.8651 115.6299 55.5998 41.8966 177.5203 14 S 4.7605 8.1489 116.0926 58.1809 63.6797 175.3030 15 G 4.1940 8.2241 110.4785 44.2280 0.0000 169.2019 16 P 5.2911 0.0000 0.0000 62.0890 32.3824 175.6101 17 W 5.4591 9.0772 122.9710 54.9970 33.0908 174.8839 18 R 5.0922 9.4851 120.3840 54.8099 34.0533 174.7914 19 T 4.2268 8.8755 118.7903 63.8753 68.9201 173.6932 20 V 4.0388 8.3278 125.5764 64.1773 32.8310 175.1786 21 Y 4.9642 7.2883 116.5232 56.3175 42.5693 173.8729 22 I 4.9095 8.4322 121.8730 59.7379 41.1746 174.7590 23 G 4.3015 9.1472 113.6473 44.6413 0.0000 171.7555 24 S 5.2637 8.2498 114.5381 56.7059 65.1037 174.2547 25 T 4.0409 8.6754 116.2125 63.4114 69.7537 173.8871 26 N 4.8074 8.1992 121.1674 50.6051 40.1565 172.3983 27 P 4.3187 0.0000 0.0000 65.7310 31.8417 178.6063 28 E 4.0253 8.4208 118.3997 59.2345 29.7083 179.4258 29 K 4.2505 8.2244 117.9690 58.4179 32.1805 178.1062 30 I 4.5272 7.4616 109.1619 60.3703 38.5990 175.6228 31 Q 4.2961 7.6131 120.2990 55.1141 29.3318 175.0985 32 E 4.0323 8.5103 118.2024 58.6792 29.6515 177.5567 33 N 4.5428 9.0374 119.8828 53.5433 37.5715 174.3182 34 G 3.9385 8.3403 106.9367 45.0054 0.0000 173.5055 35 P 4.2857 0.0000 0.0000 64.7620 31.5827 177.1958 36 F 4.6315 8.3543 116.5112 57.3281 39.4178 177.0220 37 R 4.3075 7.5504 122.9177 55.1155 28.2136 175.4248 38 T 4.8755 7.5427 109.0384 60.6936 71.0110 175.6500 39 Y 4.6744 9.3669 125.1638 56.3893 38.7514 175.3537 40 F 4.8721 9.6485 124.1097 58.3373 39.7366 175.2022 41 R 4.6978 9.4036 118.5018 57.5976 33.2754 175.1263 42 E 5.3377 8.1046 117.5859 54.8531 33.6706 173.4226 43 L 4.6532 9.1306 123.9872 52.8252 46.0168 175.5760 44 V 4.5345 8.0653 122.8676 61.1202 34.1437 173.9150 45 F 5.1198 9.1875 127.1101 55.8816 41.4501 174.3893 46 D 5.0298 8.9495 123.2366 52.5659 42.5773 176.2940 47 D 4.5425 8.9634 127.0028 57.0936 41.3970 178.1511 48 E 4.1712 8.4408 117.9909 58.9487 29.7013 177.8935 49 K 4.1608 8.3765 115.9404 56.1733 32.9041 176.7036 50 G 3.9478 8.2113 107.9087 47.1092 0.0000 172.6706 51 T 5.4183 7.6735 107.2517 59.5706 73.5421 173.1176 52 V 4.4418 8.5683 120.5888 61.2403 34.9682 173.3802 53 D 5.0947 8.6628 128.1947 52.6913 42.9998 175.2195 54 F 4.5656 9.1708 122.9560 55.8106 41.4997 174.4055 55 Y 5.0228 8.6288 121.1392 56.1868 40.8819 174.7573 56 F 5.5154 8.4608 118.5757 55.7897 42.4683 173.1919 57 S 5.6590 9.6421 114.6886 56.9692 66.3288 174.0448 58 V 5.1176 9.0900 121.6749 60.2531 35.1827 173.5387 59 K 4.1668 8.2929 124.0684 55.0161 33.2944 175.8957 60 R 4.4031 9.0002 127.1230 55.3758 33.0132 175.2519 61 D 4.1039 9.5839 123.8251 55.5723 38.2284 174.6795 62 G 3.8796 8.3747 103.2915 45.6835 0.0000 173.7880 63 K 4.6757 7.5939 118.3129 53.9799 36.1534 175.4397 64 W 4.9712 8.8462 123.8016 56.0852 30.3364 175.8572 65 K 4.7662 9.5146 123.7605 54.6821 35.3919 174.8066 66 N 5.2545 8.8414 121.3976 51.9377 39.9542 174.4354 67 V 4.2101 8.6772 124.4632 61.0424 34.5298 173.7520 68 H 4.9795 8.3963 125.4788 54.2189 32.2243 172.5809 69 V 4.2442 8.4218 125.5454 60.7572 34.7866 173.7673 70 K 4.7835 8.5597 128.1959 54.6831 33.7864 174.7642 71 A 5.0811 9.1440 129.6922 50.5255 22.0716 175.0632 72 T 4.9801 8.6089 117.6822 61.4080 71.4179 174.1925 73 K 3.9968 8.8431 127.6725 56.3257 33.2102 175.6449 74 Q 4.6901 8.2886 122.4434 53.5711 32.4807 176.4426 75 D 4.3025 8.6687 118.6317 57.5899 40.9955 177.9297 76 D 4.3393 8.0594 117.7530 56.6371 41.2295 176.8867 77 G 3.9929 8.0611 106.0006 45.2778 0.0000 173.6494 78 T 4.6464 7.6613 110.1365 61.3451 71.2874 172.9240 79 Y 5.3078 9.3283 118.5947 56.2161 41.8376 175.3071 80 V 5.3738 8.8617 120.9810 60.6446 35.1721 174.1388 81 A 4.8762 8.3449 125.3671 51.2323 22.7042 174.4803 82 D 5.3112 8.3068 119.6876 53.0881 42.5972 175.9359 83 Y 4.3009 9.1973 120.1570 57.9096 41.9710 173.4078 84 E 3.4905 9.6076 129.0502 57.7726 27.8617 172.8843 85 G 3.8595 7.6535 103.8311 44.2569 0.0000 172.4988 86 Q 5.0373 8.4423 118.2756 54.4490 31.5250 174.8938 87 N 5.5954 9.0335 119.3578 51.5224 43.2120 173.8320 88 V 4.5598 8.8135 121.5493 61.3828 34.5452 173.6725 89 F 5.3280 9.5884 131.6915 56.2930 41.6732 174.0829 90 K 4.9267 8.8676 127.1135 54.6133 35.4740 174.8170 91 I 4.2128 8.4726 127.8018 60.6968 37.1539 175.6970 92 V 3.9078 8.6085 128.6108 65.0927 32.3403 176.4790 93 S 4.7906 7.8766 113.8955 56.5331 65.9026 172.3980 94 L 5.1691 8.4699 127.5408 54.1478 44.1390 174.7191 95 S 4.6193 8.8414 118.8502 57.3740 65.8702 174.5610 96 R 4.0574 8.6728 118.2682 58.6845 29.9624 177.3147 97 T 4.6045 8.0702 106.3828 61.2433 71.2210 173.3275 98 H 5.8457 8.1076 117.3262 54.1351 32.9105 172.1696 99 L 5.1803 9.3291 120.6926 53.6812 45.7667 174.7814 100 V 4.9616 9.3801 126.3828 61.2207 34.0269 174.1204 101 A 5.1220 9.0285 128.6895 50.2833 23.2882 173.6952 102 H 5.3419 8.7466 118.6105 54.3491 33.1145 171.9682 103 N 5.4069 9.4940 123.8583 51.8179 42.6616 172.6906 104 I 4.8456 8.7515 126.5200 59.5693 39.8505 173.9529 105 N 5.4871 9.1180 126.2968 51.6419 42.2362 173.3606 106 V 4.9500 8.4467 125.0637 61.1009 34.4687 175.1926 107 D 5.0186 8.7710 128.9394 52.0361 40.6160 177.0757 108 K 4.0722 8.4537 117.1711 59.0528 32.2917 176.9509 109 H 4.7761 8.2276 115.6507 55.4731 29.1323 174.9941 110 G 3.9309 8.3991 107.0334 45.6984 0.0000 174.1201 111 Q 4.2117 8.5496 120.4545 55.9962 29.8260 175.1431 112 T 5.0698 8.4634 120.6174 62.4684 70.3561 174.2835 113 T 4.6120 9.0131 122.6253 61.7750 72.6344 172.5762 114 E 5.0925 9.0976 125.8801 54.7051 32.1102 175.1170 115 L 5.4271 9.1362 123.5577 53.0876 46.0769 175.5898 116 T 5.1423 8.5949 113.5003 61.0205 72.4060 173.1953 *117 E 5.0325 8.8105 119.0977 55.3955 35.0089 174.4129 118 L 5.1639 8.2733 122.7644 53.5465 45.1225 175.3531 119 F 5.3649 9.4029 124.3528 55.7941 43.1630 174.5084 120 V 5.1431 9.1117 114.3773 59.5899 35.3144 174.5845 121 K 3.8386 8.1856 125.3449 54.9791 33.3259 176.5712 122 L 4.3353 8.1808 127.7305 53.5404 41.5024 175.3967 123 N 4.4592 8.3399 121.4663 51.9478 39.5084 175.2734 124 V 4.2076 8.0880 122.8246 60.7380 33.0002 175.3859 125 E 4.2572 8.4490 127.4400 55.9948 31.4240 177.5926 126 D 4.4466 8.6701 122.3619 57.6012 41.1004 179.0009 127 E 3.9940 8.1733 118.6101 59.6408 29.5373 179.0490 128 D 4.4187 8.0416 118.3704 57.1815 40.9462 178.6060 129 L 4.0580 8.1320 119.5898 57.8741 41.6508 179.3768 130 E 4.1705 8.6009 118.7435 59.3795 29.4070 179.3072 131 K 3.9672 8.0795 119.3567 59.4063 32.1634 178.6743 132 F 3.9819 8.3188 120.8820 61.1481 39.2829 177.2527 133 W 4.1642 8.3898 118.7666 59.4095 28.7621 178.5569 134 K 3.9525 8.3516 119.7637 59.3771 31.7204 178.5921 135 L 3.8753 7.7621 120.6066 58.5361 41.9815 179.0167 136 T 3.6253 7.7515 115.9286 66.5526 68.3058 176.2437 137 E 3.9660 8.4111 121.3077 59.3716 29.4543 178.5254 138 D 4.4272 8.2511 118.4767 56.9805 40.8974 177.9473 139 K 4.4111 7.8510 116.4952 55.4794 32.1432 176.9677 140 G 3.9228 7.7789 106.8133 46.5386 0.0000 173.8711 141 I 4.1806 7.4876 120.4417 59.6299 38.2760 175.6511 142 D 4.5823 8.5156 124.7536 53.5869 41.5933 176.9209 143 K 4.0854 8.9074 125.1244 59.7300 32.1757 178.5420 144 K 4.2404 8.2780 117.1990 57.9596 32.3183 176.4504 145 N 5.0064 8.5856 115.7419 53.5733 38.9852 174.4674 146 V 4.4942 7.4924 116.8114 60.9706 33.9133 174.6657 147 V 4.1986 8.4203 126.2541 60.9504 33.1427 174.1846 148 N 4.7000 8.5001 125.5612 52.7212 39.0221 174.4803 149 F 4.4068 8.8439 123.8452 57.7375 39.8741 176.6499 150 L 4.2449 8.5011 123.4918 56.5120 42.2102 176.3766 151 E 4.5714 8.0394 116.3829 53.6522 29.0864 172.9138 152 N 4.8531 7.9682 123.1258 52.4026 42.3875 173.7824 153 E 3.9827 9.0393 124.4718 59.2975 29.6418 177.2356 154 N 4.4902 7.8040 119.1542 51.8173 36.1426 173.4039 155 H 4.9282 7.6329 118.9450 53.0418 31.9594 171.9288 156 P 4.2401 0.0000 0.0000 63.0186 31.7198 175.4813 157 H 4.4491 8.1874 117.3495 53.4133 30.1938 174.4872 158 P 4.2857 0.0000 0.0000 64.3508 31.7328 176.1008 159 E 4.5845 7.8713 122.5896 57.2098 29.6729 175.3502 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 A 8.25 4.40 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 2 Q 8.31 4.30 0.00 2.25 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.99 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 3 E 9.44 4.25 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 2.27 2.33 0.00 4 E 8.14 4.65 0.00 1.96 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 2.22 2.21 0.00 5 E 8.61 3.92 0.00 1.90 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 2.30 2.39 0.00 6 A 8.19 4.54 1.24 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 0.00 0.00 7 E 8.82 3.93 0.00 1.93 1.92 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 2.30 2.36 0.00 8 Q 8.51 4.57 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 9 N 8.45 5.15 0.00 2.69 2.69 0.00 0.00 7.05 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 10 L 9.50 4.37 0.00 1.43 0.83 0.79 0.56 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 11 S 8.71 4.44 0.00 4.02 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 12 E 8.32 3.98 0.00 1.98 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 0.00 2.32 2.37 0.00 13 L 7.87 4.48 0.00 1.61 2.11 1.05 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.15 4.76 0.00 4.04 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 15 G 8.22 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 0.00 0.00 0.00 0.00 16 P 0.00 5.29 0.00 2.15 2.23 0.00 3.80 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 2.20 1.82 0.00 17 W 9.08 5.46 0.00 3.37 3.42 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 18 R 9.49 5.09 0.00 1.77 1.90 0.00 3.42 0.00 0.00 3.53 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 19 T 8.88 4.23 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 0.96 0.00 0.00 20 V 8.33 4.04 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 0.47 0.00 0.00 0.91 0.00 0.00 21 Y 7.29 4.96 0.00 2.80 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.43 4.91 1.85 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 1.14 0.39 0.94 0.00 0.00 23 G 9.15 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 24 S 8.25 5.26 0.00 3.80 3.66 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 25 T 8.68 4.04 4.21 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 1.18 0.00 0.00 26 N 8.20 4.81 0.00 2.69 2.68 0.00 0.00 6.75 7.76 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 27 P 0.00 4.32 0.00 2.43 2.31 0.00 3.76 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 28 E 8.42 4.03 0.00 2.27 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 2.34 2.30 0.00 29 K 8.22 4.25 0.00 1.96 2.03 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.50 7.81 30 I 7.46 4.53 1.92 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 1.40 0.69 1.00 0.00 0.00 31 Q 7.61 4.30 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 32 E 8.51 4.03 0.00 1.97 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 2.38 2.37 0.00 33 N 9.04 4.54 0.00 2.85 2.97 0.00 0.00 7.09 7.98 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 34 G 8.34 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 0.00 0.00 0.00 35 P 0.00 4.29 0.00 1.82 2.07 0.00 3.97 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.06 0.00 36 F 8.35 4.63 0.00 3.24 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 37 R 7.55 4.31 0.00 1.99 2.07 0.00 3.33 0.00 0.00 3.85 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.57 0.00 38 T 7.54 4.88 4.14 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 1.02 0.00 0.00 39 Y 9.37 4.67 0.00 3.20 3.16 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 40 F 9.65 4.87 0.00 3.08 3.35 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 41 R 9.40 4.70 0.00 1.98 1.97 0.00 3.13 0.00 0.00 3.15 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 42 E 8.10 5.34 0.00 2.06 1.76 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 2.20 2.56 0.00 43 L 9.13 4.65 0.00 1.25 0.58 -0.07 -0.38 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 44 V 8.07 4.53 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 1.07 0.00 0.00 0.99 0.00 0.00 45 F 9.19 5.12 0.00 3.09 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 46 D 8.95 5.03 0.00 2.76 2.56 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 47 D 8.96 4.54 0.00 2.75 2.75 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 0.00 0.00 0.00 48 E 8.44 4.17 0.00 2.11 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 2.33 2.35 0.00 49 K 8.38 4.16 0.00 1.88 1.88 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.56 1.54 7.81 50 G 8.21 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 0.00 0.00 0.00 51 T 7.67 5.42 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 1.30 0.00 0.00 52 V 8.57 4.44 1.59 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 -0.58 0.00 0.00 0.60 0.00 0.00 53 D 8.66 5.09 0.00 2.58 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 0.00 0.00 0.00 0.00 54 F 9.17 4.57 0.00 2.59 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 55 Y 8.63 5.02 0.00 3.03 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 56 F 8.46 5.52 0.00 3.34 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 57 S 9.64 5.66 0.00 4.06 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 58 V 9.09 5.12 2.45 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 1.00 0.00 0.00 1.10 0.00 0.00 59 K 8.29 4.17 0.00 0.79 1.18 0.00 0.95 0.00 0.00 1.31 0.00 0.00 2.52 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.80 0.21 7.81 60 R 9.00 4.40 0.00 1.68 1.73 0.00 3.47 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 61 D 9.58 4.10 0.00 2.78 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 62 G 8.37 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 63 K 7.59 4.68 0.00 1.80 1.66 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.53 7.81 64 W 8.85 4.97 0.00 3.19 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 65 K 9.51 4.77 0.00 1.89 1.70 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.45 7.81 66 N 8.84 5.25 0.00 2.61 2.77 0.00 0.00 6.77 7.68 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 67 V 8.68 4.21 0.67 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 0.58 0.00 0.00 0.79 0.00 0.00 68 H 8.40 4.98 0.00 2.97 3.02 0.00 5.92 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.42 4.24 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 0.73 0.00 0.00 0.75 0.00 0.00 70 K 8.56 4.78 0.00 1.65 1.62 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.55 7.81 71 A 9.14 5.08 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 72 T 8.61 4.98 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 1.23 0.00 0.00 73 K 8.84 4.00 0.00 1.46 1.58 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.13 0.57 7.81 74 Q 8.29 4.69 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.53 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 75 D 8.67 4.30 0.00 2.65 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 76 D 8.06 4.34 0.00 2.62 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 77 G 8.06 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 78 T 7.66 4.65 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 1.25 0.00 0.00 79 Y 9.33 5.31 0.00 3.10 2.94 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 80 V 8.86 5.37 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 1.33 0.00 0.00 0.98 0.00 0.00 81 A 8.34 4.88 1.15 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 82 D 8.31 5.31 0.00 2.58 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 83 Y 9.20 4.30 0.00 2.80 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 84 E 9.61 3.49 0.00 1.57 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 1.47 1.47 0.00 85 G 7.65 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 0.00 0.00 0.00 86 Q 8.44 5.04 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 87 N 9.03 5.60 0.00 2.85 2.76 0.00 0.00 6.28 6.99 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 88 V 8.81 4.56 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 1.08 0.00 0.00 0.97 0.00 0.00 89 F 9.59 5.33 0.00 3.07 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 90 K 8.87 4.93 0.00 1.74 1.54 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.55 7.81 91 I 8.47 4.21 1.99 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.91 0.95 0.00 0.00 92 V 8.61 3.91 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 0.70 0.00 0.00 0.91 0.00 0.00 93 S 7.88 4.79 0.00 3.94 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 94 L 8.47 5.17 0.00 1.63 1.46 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.84 4.62 0.00 4.03 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 96 R 8.67 4.06 0.00 1.84 2.03 0.00 3.16 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 97 T 8.07 4.60 4.21 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 1.18 0.00 0.00 98 H 8.11 5.85 0.00 3.55 3.50 0.00 5.41 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 9.33 5.18 0.00 1.73 1.70 0.99 0.72 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 0.00 100 V 9.38 4.96 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 0.91 0.00 0.00 1.04 0.00 0.00 101 A 9.03 5.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 H 8.75 5.34 0.00 3.07 3.01 0.00 5.55 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 9.49 5.41 0.00 2.87 2.61 0.00 0.00 6.68 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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8.46 5.07 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 1.19 0.00 0.00 113 T 9.01 4.61 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 1.08 0.00 0.00 114 E 9.10 5.09 0.00 1.88 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 2.24 2.25 0.00 115 L 9.14 5.43 0.00 1.47 1.53 0.39 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 116 T 8.59 5.14 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 1.13 0.00 0.00 *117 E 8.81 5.03 0.00 1.65 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 2.15 2.13 0.00 118 L 8.27 5.16 0.00 1.69 1.48 1.07 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 119 F 9.40 5.36 0.00 3.28 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 0.00 120 V 9.11 5.14 2.09 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 L 8.13 4.06 0.00 2.00 1.98 1.01 0.80 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 0.00 130 E 8.60 4.17 0.00 2.30 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 0.00 2.43 2.58 0.00 131 K 8.08 3.97 0.00 2.10 2.00 0.00 1.54 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.51 7.81 132 F 8.32 3.98 0.00 2.96 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 0.00 133 W 8.39 4.16 0.00 3.51 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 0.00 134 K 8.35 3.95 0.00 1.88 1.96 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.46 7.81 135 L 7.76 3.88 0.00 1.81 1.67 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 136 T 7.75 3.63 4.10 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 1.14 0.00 0.00 137 E 8.41 3.97 0.00 2.20 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 2.31 2.36 0.00 138 D 8.25 4.43 0.00 2.81 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 0.00 139 K 7.85 4.41 0.00 1.69 1.80 0.00 1.82 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.54 7.81 140 G 7.78 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 0.00 141 I 7.49 4.18 1.99 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 0.95 0.00 0.00 142 D 8.52 4.58 0.00 2.73 2.56 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 0.00 143 K 8.91 4.09 0.00 1.86 1.89 0.00 1.58 0.00 0.00 1.49 0.00 0.00 2.22 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.45 1.44 7.81 144 K 8.28 4.24 0.00 1.74 1.85 0.00 1.76 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.48 7.81 145 N 8.59 5.01 0.00 2.89 2.84 0.00 0.00 6.65 8.28 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 0.00 146 V 7.49 4.49 2.53 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 0.93 0.00 0.00 1.22 0.00 0.00 147 V 8.42 4.20 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 0.17 0.00 0.00 0.88 0.00 0.00 148 N 8.50 4.70 0.00 2.74 2.68 0.00 0.00 7.08 7.02 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 0.00 149 F 8.84 4.41 0.00 2.96 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 0.00 150 L 8.50 4.24 0.00 1.69 1.68 0.92 1.15 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 0.00 151 E 8.04 4.57 0.00 2.01 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 2.29 2.21 0.00 152 N 7.97 4.85 0.00 2.70 2.58 0.00 0.00 7.30 7.65 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 0.00 153 E 9.04 3.98 0.00 2.06 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 2.22 2.24 0.00 154 N 7.80 4.49 0.00 2.76 2.84 0.00 0.00 5.76 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 0.00 155 H 7.63 4.93 0.00 3.08 3.21 0.00 5.73 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 0.00 156 P 0.00 4.24 0.00 1.98 1.96 0.00 3.62 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 2.00 2.08 0.00 157 H 8.19 4.45 0.00 3.17 3.31 0.00 5.62 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 P 0.00 4.29 0.00 1.92 1.81 0.00 2.93 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.50 0.00 159 E 7.87 4.58 0.00 2.25 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 0.00 2.50 2.62 0.00 * Residues marked with a * may have inaccurate shift predictions.