NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 H 4.7642 8.4449 120.4028 55.5940 31.6475 173.7339 16 D 4.6525 7.9853 115.3564 53.3417 42.0210 174.9135 17 R 4.1949 7.6885 119.2546 55.2047 31.6988 174.4299 18 P 4.5091 0.0000 0.0000 61.6173 32.9790 174.5821 19 W 4.8066 8.2468 127.8314 56.0271 31.4253 175.6437 20 W 4.5101 8.0787 124.0671 56.5698 29.9086 176.0875 21 G 3.6618 5.5861 105.3010 44.5781 0.0000 173.0914 22 L 4.4359 8.2051 122.0683 54.2793 42.7137 175.8826 23 P 4.5409 0.0000 0.0000 63.6478 31.8908 175.3523 24 C 4.5765 8.2727 120.3393 59.0955 34.1507 173.3786 25 T 4.2543 8.3038 114.9939 61.1619 69.0237 174.3145 26 V 3.7423 7.0877 121.9575 62.5860 32.3199 174.9605 27 T 4.4516 7.8360 119.5592 59.4245 70.1748 171.5920 28 P 4.5370 0.0000 0.0000 62.8988 32.6349 174.9738 29 C 5.1887 8.4385 118.5030 58.7967 35.7218 172.0429 30 F 5.6492 10.3323 129.1584 56.8774 41.1515 174.5686 31 G 3.3996 8.5190 112.7115 44.0490 0.0000 171.3136 32 A 4.8684 7.8040 123.2058 50.3394 23.1360 175.2214 33 R 4.2357 8.3069 121.4443 54.2751 30.7852 175.4696 34 L 4.4327 8.6508 126.7395 54.3848 43.3856 176.1778 35 V 4.6366 8.8392 123.4892 61.7541 33.1688 174.4081 36 Q 5.0287 8.8677 127.0673 54.4243 30.3461 175.3679 37 E 4.4690 9.0490 122.9764 54.7014 30.8701 177.2071 38 G 3.9972 8.0998 119.7145 47.2813 0.0000 172.8703 39 N 4.6767 8.8048 123.6304 52.8758 39.1624 174.2612 40 R 4.8228 7.5586 118.4784 54.7017 31.7689 175.0302 41 L 5.1646 8.9749 121.0488 53.2361 44.7306 175.6477 42 H 4.9594 9.4601 120.5466 54.1343 31.6094 172.2857 43 Y 4.8673 8.8331 125.1513 56.6665 39.9996 174.4747 44 L 4.1761 7.9303 125.6867 52.3814 43.6714 177.1280 45 A 3.6547 7.8782 127.7569 54.6787 18.3970 177.7080 46 D 4.4833 7.6068 113.0858 54.6090 40.2290 176.4391 47 R 2.8219 7.5886 120.2193 54.5136 30.7362 174.1593 48 A 4.8853 6.9719 118.5109 50.6931 22.6886 175.4902 49 G 4.2720 7.3935 106.7184 46.7128 0.0000 172.1277 50 I 5.6424 8.6230 119.9950 59.6069 40.5579 175.4929 51 R 4.4593 9.4798 125.5611 55.7128 32.2035 177.9443 52 G 3.9700 8.7257 110.9260 45.0820 0.0000 171.9707 53 L 4.7089 8.1113 121.5625 53.2001 44.6434 177.2131 54 F 4.4653 8.9005 125.0631 56.8145 40.0017 176.2537 55 S 4.4561 8.5872 118.6432 58.3037 64.9869 175.0660 56 D 4.3676 8.7695 122.7481 57.5824 40.4818 179.0777 57 A 3.9220 7.9465 120.6834 55.2995 18.4453 179.2951 58 D 4.3036 8.0858 116.6960 57.3837 40.9215 178.7394 59 A 3.6337 8.2387 121.4782 55.3764 18.3587 179.1230 60 Y 3.9269 8.2153 118.0610 61.0771 38.7854 177.8421 61 H 4.1849 8.4033 117.4940 58.5053 28.7846 177.3912 62 L 3.7641 8.3556 122.5394 58.2671 41.6208 178.6957 63 D 4.0994 7.4141 117.1785 57.4877 40.8026 178.6561 64 Q 3.9102 7.5806 116.8716 58.7167 28.9960 178.2269 65 A 4.2086 8.2631 120.8614 53.1633 18.6178 178.8973 66 F 3.9639 7.8713 119.3824 61.1572 39.3982 175.0363 67 P 4.2284 0.0000 0.0000 65.5442 31.3722 177.9563 68 L 4.0871 7.7594 118.4126 57.9691 42.0188 179.3082 69 L 4.1063 7.8093 115.5688 55.5924 41.2927 179.0102 *71 K 4.1977 7.9778 120.6595 56.6418 33.9811 178.2428 72 Q 3.9786 8.1440 116.7205 58.9640 28.8145 178.6526 73 L 4.1296 7.8247 117.1527 57.7308 41.7806 179.0464 74 E 4.1338 7.9541 118.1911 58.9430 29.3042 179.1458 75 L 4.1474 7.8296 116.8593 56.0502 41.6682 178.1044 *77 L 4.3699 7.8398 120.5736 54.8749 43.7173 177.9769 78 T 4.6329 8.2740 114.3361 65.1080 68.5750 175.7258 79 S 4.3286 8.2347 114.4077 58.5757 63.6257 175.2095 80 G 3.9661 8.2768 109.5002 45.1127 0.0000 173.9114 81 E 3.8633 7.5436 120.1029 58.3138 29.6340 176.4630 82 L 4.5690 7.7922 118.1679 52.9537 42.7229 174.8074 83 N 4.9631 8.4100 122.7306 50.7625 40.6045 173.5482 84 P 4.3841 0.0000 0.0000 65.1089 31.6288 177.6910 85 R 4.2491 7.9162 115.7335 56.5305 31.1920 174.9800 86 H 4.5124 7.7452 117.6132 54.5530 30.2510 174.2171 87 Q 4.2542 8.5562 128.8813 56.0632 28.5346 174.4993 88 H 4.7837 8.3822 121.7387 55.2628 33.2157 172.6195 89 T 4.6498 8.3396 123.8565 62.8475 69.3200 174.7421 90 V 4.3782 8.8126 120.5121 60.2573 34.3890 175.1398 91 T 5.0515 8.2953 118.3429 61.8531 71.5403 173.4379 92 L 4.8655 8.9436 124.9427 53.0558 46.1041 175.0367 93 Y 5.2463 8.3786 117.6188 56.4393 41.5951 175.2673 94 A 4.3380 9.5496 124.8546 52.6840 23.2048 176.5911 95 K 3.9086 9.7863 123.5021 57.6875 29.6914 175.0892 96 G 4.0526 7.9459 101.6899 46.1586 0.0000 171.5067 97 L 5.2294 7.9612 118.8279 52.8752 45.5190 175.5402 98 T 4.5839 8.7712 120.0409 61.9150 70.8475 173.0284 99 C 5.1571 9.0349 127.4009 57.4877 34.2658 172.4024 100 K 5.1179 9.1882 125.9164 54.6987 34.5182 175.2511 101 A 5.3894 8.8273 125.0057 50.8188 23.2820 174.3171 102 D 5.1035 8.8468 117.7421 53.7461 44.8949 176.7785 103 T 4.5825 8.7984 114.3515 61.9334 69.4565 175.1212 104 L 3.3748 9.1894 120.9788 55.8921 39.4271 175.3649 105 S 4.0617 8.8245 110.7460 58.4332 60.7519 172.2840 106 S 4.4836 7.9511 115.3897 58.6250 63.3088 173.5622 107 C 4.7689 8.3961 115.0927 57.9662 29.9342 173.8441 108 D 4.5424 7.6067 118.5489 55.3515 46.6626 174.0979 109 Y 5.3747 8.0239 114.9617 56.0237 43.0714 174.5651 110 V 4.7820 8.5006 118.8526 61.7372 34.7196 173.7913 111 Y 4.7566 9.6719 127.1266 57.3519 39.3315 174.9166 112 L 5.4741 9.0498 123.7503 53.1230 45.8617 175.7735 113 A 5.2094 8.9628 122.9927 51.0479 22.6910 175.2903 114 V 5.0557 9.8196 123.6273 61.6200 34.5342 174.1982 115 Y 5.5715 8.4682 124.7446 54.6234 42.2390 172.5269 116 P 4.9589 0.0000 0.0000 62.8367 32.1447 176.7520 117 T 4.1799 8.6561 121.7317 62.6938 69.0495 173.0654 118 P 4.4846 0.0000 0.0000 62.9946 31.3661 176.1602 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 15 H 8.44 4.76 0.00 3.14 3.46 0.00 5.85 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.99 4.65 0.00 2.79 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 17 R 7.69 4.19 0.00 1.93 2.02 0.00 3.35 0.00 0.00 3.57 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 18 P 0.00 4.51 0.00 1.73 1.87 0.00 3.82 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.55 0.00 19 W 8.25 4.81 0.00 3.17 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 20 W 8.08 4.51 0.00 3.00 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 21 G 5.59 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 0.00 0.00 0.00 22 L 8.21 4.44 0.00 2.01 1.78 0.99 0.92 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 23 P 0.00 4.54 0.00 2.00 2.01 0.00 3.80 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 24 C 8.27 4.58 0.00 3.14 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 25 T 8.30 4.25 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 26 V 7.09 3.74 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 0.56 0.00 0.00 0.23 0.00 0.00 27 T 7.84 4.45 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 1.12 0.00 0.00 28 P 0.00 4.54 0.00 0.49 1.44 0.00 3.56 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.91 0.00 29 C 8.44 5.19 0.00 3.25 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 30 F 10.33 5.65 0.00 3.31 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 31 G 8.52 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.80 4.87 1.07 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 0.00 0.00 33 R 8.31 4.24 0.00 1.77 1.47 0.00 2.21 0.00 0.00 2.90 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.50 0.00 34 L 8.65 4.43 0.00 1.71 1.60 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.84 4.64 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 0.97 0.00 0.00 0.98 0.00 0.00 36 Q 8.87 5.03 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 37 E 9.05 4.47 0.00 2.12 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 2.22 2.20 0.00 38 G 8.10 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.80 4.68 0.00 2.74 2.82 0.00 0.00 6.77 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 40 R 7.56 4.82 0.00 1.90 1.68 0.00 3.20 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 41 L 8.97 5.16 0.00 1.36 1.50 0.88 1.05 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 42 H 9.46 4.96 0.00 3.00 3.15 0.00 5.60 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 8.83 4.87 0.00 3.13 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 44 L 7.93 4.18 0.00 1.36 1.49 0.77 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.88 3.65 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 46 D 7.61 4.48 0.00 2.63 2.65 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 R 7.59 2.82 0.00 1.30 0.94 0.00 2.21 0.00 0.00 2.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.08 0.00 48 A 6.97 4.89 1.31 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 0.00 0.00 49 G 7.39 4.27 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 0.00 50 I 8.62 5.64 2.14 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.14 1.37 0.00 0.00 51 R 9.48 4.46 0.00 1.60 1.67 0.00 2.21 0.00 0.00 2.56 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.47 0.00 52 G 8.73 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 0.00 0.00 0.00 53 L 8.11 4.71 0.00 1.56 1.52 1.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.90 4.47 0.00 3.11 2.96 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 55 S 8.59 4.46 0.00 4.10 4.06 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 56 D 8.77 4.37 0.00 2.75 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 7.95 3.92 1.30 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 58 D 8.09 4.30 0.00 3.12 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 59 A 8.24 3.63 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 60 Y 8.22 3.93 0.00 3.01 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 61 H 8.40 4.18 0.00 3.36 3.29 0.00 5.70 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.36 3.76 0.00 1.28 1.43 0.70 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.41 4.10 0.00 2.54 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 7.58 3.91 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 1.97 1.54 0.00 65 A 8.26 4.21 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 F 7.87 3.96 0.00 2.92 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.23 0.00 2.01 2.06 0.00 3.82 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 2.01 2.17 0.00 68 L 7.76 4.09 0.00 1.70 1.78 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.81 4.11 0.00 1.63 1.49 0.94 0.62 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 *71 K 7.98 4.20 0.00 1.96 1.84 0.00 1.65 0.00 0.00 1.88 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.37 7.81 72 Q 8.14 3.98 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 73 L 7.82 4.13 0.00 1.55 1.69 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 74 E 7.95 4.13 0.00 2.09 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 2.34 2.29 0.00 75 L 7.83 4.15 0.00 1.81 1.83 0.91 0.34 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 *77 L 7.84 4.37 0.00 1.77 1.83 1.01 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.27 4.63 4.38 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 1.20 0.00 0.00 79 S 8.23 4.33 0.00 3.96 4.03 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 0.00 0.00 0.00 80 G 8.28 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 0.00 0.00 0.00 81 E 7.54 3.86 0.00 1.90 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 2.37 2.31 0.00 82 L 7.79 4.57 0.00 1.66 1.62 0.99 0.98 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 83 N 8.41 4.96 0.00 2.92 2.69 0.00 0.00 7.12 7.71 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 84 P 0.00 4.38 0.00 2.22 2.11 0.00 3.64 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 85 R 7.92 4.25 0.00 1.75 1.96 0.00 3.29 0.00 0.00 3.17 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 86 H 7.75 4.51 0.00 3.19 3.19 0.00 5.80 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Q 8.56 4.25 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.40 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 88 H 8.38 4.78 0.00 3.28 3.15 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.34 4.65 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 1.27 0.00 0.00 90 V 8.81 4.38 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 0.80 0.00 0.00 0.96 0.00 0.00 91 T 8.30 5.05 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 0.72 0.00 0.00 92 L 8.94 4.87 0.00 1.38 1.43 0.87 0.85 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 93 Y 8.38 5.25 0.00 2.77 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.55 4.34 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 9.79 3.91 0.00 1.80 1.65 0.00 1.97 0.00 0.00 1.61 0.00 0.00 2.75 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.31 1.37 7.81 96 G 7.95 4.05 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 0.00 0.00 0.00 97 L 7.96 5.23 0.00 1.75 1.53 0.88 0.74 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 98 T 8.77 4.58 3.23 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 0.81 0.00 0.00 99 C 9.03 5.16 0.00 2.86 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 0.00 100 K 9.19 5.12 0.00 1.83 1.76 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.76 7.81 101 A 8.83 5.39 1.22 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 0.00 0.00 102 D 8.85 5.10 0.00 2.78 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 0.00 103 T 8.80 4.58 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 1.36 0.00 0.00 104 L 9.19 3.37 0.00 1.77 1.69 0.11 0.72 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 0.00 105 S 8.82 4.06 0.00 4.06 4.02 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 0.00 0.00 0.00 106 S 7.95 4.48 0.00 4.30 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 0.00 107 C 8.40 4.77 0.00 3.06 3.03 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 0.00 0.00 0.00 108 D 7.61 4.54 0.00 1.58 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 0.00 0.00 0.00 109 Y 8.02 5.37 0.00 2.54 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 V 8.50 4.78 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 1.10 0.00 0.00 0.96 0.00 0.00 111 Y 9.67 4.76 0.00 3.09 3.02 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 0.00 0.00 0.00 112 L 9.05 5.47 0.00 1.67 1.61 1.06 0.47 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 0.00 113 A 8.96 5.21 1.55 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 0.00 114 V 9.82 5.06 2.47 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 1.12 0.00 0.00 1.17 0.00 0.00 115 Y 8.47 5.57 0.00 3.15 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 0.00 116 P 0.00 4.96 0.00 2.11 2.19 0.00 3.87 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.49 0.00 117 T 8.66 4.18 4.34 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 1.34 0.00 0.00 118 P 0.00 4.48 0.00 2.13 2.05 0.00 3.89 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.