NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 N 4.6920 8.4244 117.7886 51.9707 39.3678 172.9811 9 L 4.4776 8.2565 123.7110 51.3009 43.8212 175.2122 10 T 4.3822 9.0982 117.6527 61.1350 72.4989 175.4434 11 T 3.8302 8.3667 118.1682 66.8807 68.4940 176.7431 12 A 4.0501 7.9569 122.1417 55.0582 18.3976 179.3315 13 D 4.2523 8.0616 116.8314 57.3997 40.9508 178.6079 14 A 3.9538 8.0612 121.2652 55.3256 18.3061 179.8771 15 K 3.9304 8.1382 116.8253 59.3871 31.8799 179.4910 16 K 3.9559 7.9058 118.9830 59.4977 32.5231 178.6314 17 I 3.8975 7.9303 120.0312 64.6078 37.1253 178.5611 18 L 4.2477 8.0551 119.6701 57.7711 41.3958 179.1006 19 N 4.6948 8.7870 116.3019 55.3974 38.2443 177.2792 20 K 3.9552 7.8865 119.1447 58.6624 32.2849 177.9991 21 F 4.5314 8.3831 116.4314 55.8622 39.2400 175.0017 22 N 4.2922 7.5016 117.7789 55.7121 38.9488 173.7274 23 C 4.0370 8.8691 120.4730 60.4931 26.2619 172.5844 24 L 4.3606 8.0507 121.1521 54.3703 41.8218 177.6787 25 D 4.3512 8.8610 124.2343 56.4536 42.2366 176.2109 26 I 4.9948 7.5976 118.0923 58.9557 39.8075 175.7485 27 A 4.5419 8.8548 130.2115 51.3288 18.8706 175.5737 28 P 4.4674 0.0000 0.0000 61.9575 32.5709 175.7696 29 I 4.0187 8.1654 119.7612 60.4711 38.0714 175.0031 30 L 4.8304 8.1827 127.7211 52.9133 43.6616 177.3371 31 K 4.2102 8.9192 121.5868 55.5264 34.0368 176.6037 32 P 4.2238 0.0000 0.0000 66.2119 31.4505 179.1415 33 S 4.2484 8.0054 111.7867 60.9481 63.1976 176.1741 34 E 3.9820 8.0795 122.2199 59.2596 29.2177 179.0511 35 K 3.8962 8.2341 118.7067 59.3416 32.0641 178.9388 36 E 3.8272 8.0702 119.4378 59.3500 29.5309 179.0880 37 S 4.0718 7.8999 114.7309 61.7032 62.9156 176.9418 38 V 3.5767 7.8689 120.8453 65.7263 31.1041 178.3295 39 R 3.5585 8.0014 118.1815 59.1980 29.9426 179.1692 40 R 3.8692 7.8928 117.5381 59.1593 30.0684 178.8998 41 A 3.9399 8.0244 120.5203 55.1973 18.3918 179.5224 42 L 3.8138 7.9842 118.7709 58.1904 41.9330 179.2268 43 I 3.7322 7.8046 119.1347 64.1115 37.4342 177.8540 44 L 4.0650 7.9484 121.0783 58.3891 42.1088 178.9820 45 I 3.7143 7.7941 119.8863 64.7186 36.9153 178.5653 46 T 4.1123 7.9736 111.5454 63.8691 68.4032 176.7126 47 K 4.1118 7.8530 120.2937 58.4217 32.2649 177.4539 48 L 4.5593 7.5750 118.8222 54.3096 41.9383 175.9844 49 S 5.5075 7.6058 112.9019 55.3557 66.1377 174.6031 50 D 4.7919 8.5925 121.8530 57.5614 41.2952 175.9290 51 Y 5.0870 7.1709 114.1085 56.4172 41.5606 173.4383 52 Q 5.2570 9.5329 117.7574 54.2304 33.3638 174.7241 53 I 4.9319 8.7920 121.8977 59.6115 40.8125 174.4584 54 L 4.9632 8.9656 127.1069 52.9430 44.3954 175.7069 55 G 4.2021 8.8544 110.2682 44.4589 0.0000 171.7260 56 I 4.8237 8.1574 127.6297 59.5288 40.0185 174.4496 57 C 5.0139 8.8566 125.3534 57.8552 30.3154 173.1363 58 A 4.9533 8.7341 124.2911 50.2558 21.9671 176.8295 59 D 4.3878 8.7656 118.3871 56.9821 41.4505 176.9278 60 T 4.8476 7.4976 107.6700 58.8474 73.1280 174.3251 61 A 3.9929 8.6067 123.9421 55.6060 18.4065 179.8138 62 D 4.3372 8.0743 116.7455 57.6826 40.9744 178.8446 63 E 4.0909 8.2506 118.9846 59.1886 29.2235 179.6394 64 G 3.5514 7.8710 104.8519 47.9042 0.0000 175.5135 65 L 4.1135 8.1811 120.9005 57.1185 41.8776 179.1085 66 L 4.1574 8.1847 120.3046 57.9134 41.9349 179.6123 67 A 4.2663 7.8909 117.8674 52.7899 18.2196 179.0837 *69 K 4.1954 8.0473 122.1747 58.5738 34.8718 178.2794 70 T 3.8943 8.2013 110.3661 64.6740 68.7878 176.3702 71 Y 3.5240 8.5063 120.4158 60.5551 37.9667 178.8522 72 S 4.2232 8.1318 114.6480 61.6325 63.0153 175.6495 73 H 3.9260 8.2254 121.6449 59.1230 29.4324 177.1394 74 A 3.7726 7.3755 120.8142 54.6854 18.0962 178.6991 75 L 4.1893 7.7734 115.1708 54.5972 41.9392 177.5064 76 G 3.6764 7.8376 107.2652 46.2914 0.0000 172.8347 77 Y 4.7950 8.1209 116.8645 55.5716 39.7455 175.7565 78 E 4.2393 8.7068 124.6053 56.1680 30.5124 175.7745 79 V 4.6031 7.8672 116.0983 58.8633 36.0947 173.9357 80 P 4.5228 0.0000 0.0000 62.1038 33.1758 174.4630 *82 D 4.3425 8.4472 117.3507 54.7426 41.7023 174.7675 83 L 4.5359 8.2738 124.1460 52.6470 43.0865 175.0662 84 P 4.3894 0.0000 0.0000 62.7779 31.9010 176.3409 85 V 4.3498 8.0145 114.2043 60.0206 33.7532 175.1066 86 V 4.5932 7.7665 113.0758 59.5751 35.3883 175.4063 87 E 4.2203 8.5529 120.4010 56.9245 30.3457 178.1027 88 G 3.8561 8.4984 109.0730 43.8124 0.0000 171.1999 89 P 4.8023 0.0000 0.0000 62.4856 32.5973 176.2907 90 V 5.1767 8.9703 115.2942 59.7815 36.2724 173.8285 91 Y 5.0997 9.1135 123.6217 55.8964 41.7537 174.2650 92 I 4.6765 7.9442 127.0435 59.1186 40.8847 174.2203 93 K 4.5087 7.7546 127.5161 54.2572 34.9760 174.7073 94 L 4.4348 8.4075 127.9895 53.4276 45.2817 174.6479 95 N 4.9206 9.3899 127.7683 52.0900 39.3630 175.7765 96 G 3.3246 8.9018 115.5560 48.3759 0.0000 174.5899 97 K 3.8374 8.2981 120.2914 59.0636 32.6929 177.7232 98 N 4.7038 8.0853 113.0101 51.3845 37.7964 175.2580 99 G 3.8368 8.2274 106.8944 45.2994 0.0000 173.8892 100 L 4.1132 7.9613 122.9297 55.9356 43.1393 175.8477 101 C 5.4640 8.7938 122.6455 58.4944 32.2030 172.7206 102 Y 4.9333 7.9155 120.1047 55.8466 41.2457 172.9677 103 L 5.2637 8.6555 121.8503 53.5380 44.6147 175.1157 104 D 5.2430 9.4796 125.3745 52.0267 45.1604 175.2345 105 S 4.6547 8.8059 115.5652 58.8658 63.2212 172.6279 106 Y 4.8716 8.8121 127.6900 55.9935 40.3678 174.9135 107 A 4.2374 8.4117 128.4810 51.7902 19.8432 176.8637 108 G 3.4074 5.3800 105.5361 44.8088 0.0000 174.0920 109 H 4.9360 8.3744 117.3031 55.6723 30.3151 173.3411 110 H 5.0027 8.5936 117.0533 55.3986 29.8574 175.0810 111 R 4.7250 8.9016 119.5156 55.9108 34.5100 173.9877 112 G 4.1562 8.4935 107.1708 43.7800 0.0000 171.6986 113 V 4.6302 8.5808 118.4848 61.0126 34.5191 175.5422 114 L 4.9888 9.0066 128.2381 53.2311 43.6958 175.5506 115 V 4.6265 8.7562 124.7032 61.3738 33.2207 175.0307 116 S 4.7035 8.9790 125.9362 57.6993 64.4230 173.2005 117 C 4.9552 9.1020 124.1094 58.3181 29.8872 173.0589 118 Q 4.8634 8.5073 122.8151 54.0339 32.2550 174.8787 119 S 4.9503 8.6838 117.2583 57.1160 66.9139 174.9821 120 Y 4.1491 9.5197 121.1080 59.6196 38.2613 175.5094 121 Y 4.6751 7.7122 117.7068 55.3231 40.8459 174.5908 122 E 4.1565 8.8780 125.0849 58.1065 30.2545 175.1127 123 G 4.1984 9.1149 112.9029 45.6924 0.0000 174.3604 124 G 3.9151 7.9372 105.6469 45.6482 0.0000 173.9274 125 I 4.0131 8.1606 122.7213 61.3710 37.6910 176.6766 126 N 5.0511 8.5975 123.3422 51.2177 38.9447 174.1628 127 E 4.0654 8.7104 126.4419 55.2604 35.0993 173.3314 *129 Y 4.5883 8.5792 119.8003 59.7073 39.9493 174.6188 130 G 3.8862 8.8360 107.5343 43.7519 0.0000 172.3734 131 H 4.7248 8.6785 117.7502 55.6844 29.1983 175.9290 132 L 4.3996 8.8755 123.4246 52.3534 44.4758 174.3056 133 P 4.6051 0.0000 0.0000 62.5949 31.8629 177.9164 134 L 4.0479 8.8782 123.7440 57.4895 41.9105 177.7406 135 D 4.8971 8.0029 116.2582 52.8704 39.7079 177.6299 136 L 3.7051 7.7895 123.7575 58.0980 41.8954 177.9318 137 F 4.7608 7.9398 114.5416 57.0090 39.4646 175.5433 138 V 3.9996 7.8317 126.8986 63.0272 31.3226 175.2360 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 8 N 8.42 4.69 0.00 2.76 2.68 0.00 0.00 6.53 6.90 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 9 L 8.26 4.48 0.00 1.63 1.56 0.91 0.64 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 10 T 9.10 4.38 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 11 T 8.37 3.83 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 12 A 7.96 4.05 1.32 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 0.00 0.00 13 D 8.06 4.25 0.00 2.93 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 14 A 8.06 3.95 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 15 K 8.14 3.93 0.00 2.01 1.96 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.66 7.81 16 K 7.91 3.96 0.00 1.93 2.02 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.50 7.81 17 I 7.93 3.90 2.03 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 1.54 0.97 0.99 0.00 0.00 18 L 8.06 4.25 0.00 1.41 1.48 0.12 0.39 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 19 N 8.79 4.69 0.00 2.96 2.94 0.00 0.00 6.93 6.65 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 20 K 7.89 3.96 0.00 1.50 1.53 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.78 7.81 21 F 8.38 4.53 0.00 3.32 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 22 N 7.50 4.29 0.00 2.88 2.82 0.00 0.00 7.16 7.67 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 23 C 8.87 4.04 0.00 3.17 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 24 L 8.05 4.36 0.00 1.94 1.70 0.95 1.01 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 25 D 8.86 4.35 0.00 2.64 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 26 I 7.60 4.99 1.91 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 1.33 0.66 0.95 0.00 0.00 27 A 8.85 4.54 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 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.47 0.00 2.25 2.11 0.00 4.08 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.04 0.00 29 I 8.17 4.02 1.90 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 1.43 0.72 0.93 0.00 0.00 30 L 8.18 4.83 0.00 1.69 1.59 1.03 1.11 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 31 K 8.92 4.21 0.00 1.78 1.73 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.61 7.81 32 P 0.00 4.22 0.00 2.14 2.11 0.00 3.58 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 33 S 8.01 4.25 0.00 4.03 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 34 E 8.08 3.98 0.00 2.23 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 2.40 2.40 0.00 35 K 8.23 3.90 0.00 1.93 1.72 0.00 1.60 0.00 0.00 1.61 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.54 7.81 36 E 8.07 3.83 0.00 2.07 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 2.28 2.37 0.00 37 S 7.90 4.07 0.00 4.10 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 38 V 7.87 3.58 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 0.75 0.00 0.00 1.11 0.00 0.00 39 R 8.00 3.56 0.00 1.91 1.84 0.00 3.05 0.00 0.00 2.87 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.44 0.00 40 R 7.89 3.87 0.00 1.98 1.96 0.00 3.18 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 1.64 1.82 0.00 41 A 8.02 3.94 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 42 L 7.98 3.81 0.00 1.77 1.81 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.80 3.73 1.94 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.87 0.90 0.00 0.00 44 L 7.95 4.07 0.00 1.81 1.79 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.79 3.71 1.80 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 1.63 1.02 0.91 0.00 0.00 46 T 7.97 4.11 4.42 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 1.34 0.00 0.00 47 K 7.85 4.11 0.00 1.97 1.90 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.64 7.81 48 L 7.57 4.56 0.00 1.91 1.68 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 49 S 7.61 5.51 0.00 3.96 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 50 D 8.59 4.79 0.00 2.86 3.13 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 51 Y 7.17 5.09 0.00 3.25 3.22 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 52 Q 9.53 5.26 0.00 2.30 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 53 I 8.79 4.93 1.92 0.00 0.00 1.00 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 1.00 0.90 0.00 0.00 54 L 8.97 4.96 0.00 1.36 1.35 0.85 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.85 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 56 I 8.16 4.82 1.55 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.49 0.73 0.00 0.00 57 C 8.86 5.01 0.00 2.74 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 58 A 8.73 4.95 1.17 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 59 D 8.77 4.39 0.00 3.01 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 60 T 7.50 4.85 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 1.23 0.00 0.00 61 A 8.61 3.99 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 62 D 8.07 4.34 0.00 2.71 2.74 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 63 E 8.25 4.09 0.00 2.18 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 2.34 2.34 0.00 64 G 7.87 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 0.00 0.00 0.00 65 L 8.18 4.11 0.00 1.61 1.74 0.92 0.99 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 66 L 8.18 4.16 0.00 1.86 1.84 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.89 4.27 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 *69 K 8.05 4.20 0.00 1.98 2.13 0.00 1.51 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.68 1.46 7.81 70 T 8.20 3.89 4.47 0.00 0.00 0.00 0.00 0.00 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 71 Y 8.51 3.52 0.00 3.10 3.05 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 0.00 0.00 0.00 72 S 8.13 4.22 0.00 4.13 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 73 H 8.23 3.93 0.00 3.31 3.41 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.38 3.77 0.35 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 75 L 7.77 4.19 0.00 1.78 1.71 0.88 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 76 G 7.84 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 77 Y 8.12 4.80 0.00 3.04 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 78 E 8.71 4.24 0.00 2.23 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 1.90 0.00 79 V 7.87 4.60 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 0.80 0.00 0.00 0.95 0.00 0.00 80 P 0.00 4.52 0.00 2.23 2.07 0.00 3.77 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 1.94 1.96 0.00 *82 D 8.45 4.34 0.00 2.72 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 83 L 8.27 4.54 0.00 1.62 1.59 0.84 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.39 0.00 2.06 1.99 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 85 V 8.01 4.35 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 0.74 0.00 0.00 0.94 0.00 0.00 86 V 7.77 4.59 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 0.78 0.00 0.00 0.98 0.00 0.00 87 E 8.55 4.22 0.00 1.97 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 2.31 2.31 0.00 88 G 8.50 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 89 P 0.00 4.80 0.00 2.45 2.24 0.00 3.85 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 2.14 2.02 0.00 90 V 8.97 5.18 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 0.89 0.00 0.00 0.97 0.00 0.00 91 Y 9.11 5.10 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 92 I 7.94 4.68 1.55 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.36 0.68 0.00 0.00 93 K 7.75 4.51 0.00 1.23 0.74 0.00 1.41 0.00 0.00 1.62 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.05 1.08 7.81 94 L 8.41 4.43 0.00 1.51 1.27 0.81 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 95 N 9.39 4.92 0.00 2.71 2.87 0.00 0.00 6.75 8.41 0.00 0.00 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 G 8.90 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 0.00 0.00 0.00 97 K 8.30 3.84 0.00 0.93 0.74 0.00 1.46 0.00 0.00 1.54 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.27 1.12 7.81 98 N 8.09 4.70 0.00 2.76 2.85 0.00 0.00 6.06 7.00 0.00 0.00 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 8.23 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 0.00 0.00 0.00 100 L 7.96 4.11 0.00 1.91 1.64 1.08 0.94 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 0.00 101 C 8.79 5.46 0.00 2.81 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 0.00 102 Y 7.92 4.93 0.00 3.00 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 0.00 103 L 8.66 5.26 0.00 1.64 1.60 0.92 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 104 D 9.48 5.24 0.00 2.86 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 0.00 105 S 8.81 4.65 0.00 3.93 3.81 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 0.00 106 Y 8.81 4.87 0.00 3.06 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 0.00 107 A 8.41 4.24 1.11 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 0.00 108 G 5.38 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.37 4.94 0.00 3.11 3.30 0.00 5.89 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 H 8.59 5.00 0.00 3.19 3.06 0.00 5.66 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 0.00 111 R 8.90 4.72 0.00 1.81 1.78 0.00 3.31 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 112 G 8.49 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 0.00 113 V 8.58 4.63 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 0.44 0.00 0.00 0.42 0.00 0.00 114 L 9.01 4.99 0.00 1.54 1.52 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 115 V 8.76 4.63 2.24 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 0.90 0.00 0.00 1.07 0.00 0.00 116 S 8.98 4.70 0.00 3.82 3.75 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 0.00 117 C 9.10 4.96 0.00 2.91 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 0.00 118 Q 8.51 4.86 0.00 0.93 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.76 0.00 0.00 0.00 0.00 0.00 1.86 2.10 0.00 119 S 8.68 4.95 0.00 3.69 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 0.00 120 Y 9.52 4.15 0.00 3.03 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 0.00 121 Y 7.71 4.68 0.00 3.08 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 0.00 122 E 8.88 4.16 0.00 1.97 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 2.33 2.30 0.00 123 G 9.11 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 0.00 124 G 7.94 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 0.00 125 I 8.16 4.01 1.90 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.89 1.01 0.00 0.00 126 N 8.60 5.05 0.00 2.49 2.62 0.00 0.00 6.84 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 0.00 127 E 8.71 4.07 0.00 1.53 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 2.15 2.43 0.00 *129 Y 8.58 4.59 0.00 2.94 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 0.00 130 G 8.84 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 0.00 131 H 8.68 4.72 0.00 3.18 3.38 0.00 5.84 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 8.88 4.40 0.00 1.59 1.36 0.92 0.06 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 0.00 133 P 0.00 4.61 0.00 2.08 2.01 0.00 3.48 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.31 0.00 134 L 8.88 4.05 0.00 1.67 1.78 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 135 D 8.00 4.90 0.00 2.84 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 0.00 136 L 7.79 3.71 0.00 1.64 1.39 0.65 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 137 F 7.94 4.76 0.00 2.86 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 V 7.83 4.00 2.20 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 0.77 0.00 0.00 1.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.