NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.3666 8.3349 115.4071 58.1187 64.3496 172.2243 1 L 4.6147 8.1513 120.2591 51.4406 43.6015 174.2574 2 G 4.3243 10.3188 114.3714 46.5515 0.0000 175.5578 3 T 5.1073 8.7188 122.3389 61.8422 70.5298 171.9768 4 I 4.6844 8.3275 124.8981 59.1228 41.3237 173.9240 5 I 4.7068 7.9612 128.3706 59.5462 39.7993 174.4174 6 I 4.6356 8.8122 127.8622 59.3516 39.8547 174.6785 7 V 4.4427 8.4046 127.2606 61.2095 33.5826 173.6934 8 D 5.0315 8.2695 126.0857 53.3907 43.9231 175.3485 9 D 4.4504 9.2998 124.8200 56.2534 41.5111 176.5144 10 N 4.7416 8.7253 118.6636 51.9592 39.6654 175.4286 11 K 4.1647 8.6748 128.9782 59.3342 32.1507 179.5132 12 G 3.6149 8.5740 106.4367 47.5259 0.0000 176.0964 13 V 3.7891 7.9619 120.1022 65.8216 31.6632 177.8762 14 L 3.9482 7.8110 118.3055 58.1389 41.5523 179.4691 15 T 3.8707 8.2050 115.5777 66.7618 68.4480 176.4680 16 A 4.0950 8.2960 122.5314 55.3225 18.4733 179.9309 17 V 3.5228 8.3419 117.2772 65.7656 31.4607 177.9245 18 Q 3.8920 8.1858 119.5368 59.2200 28.6942 178.1412 19 L 3.9647 7.6099 119.5981 58.3503 42.1687 178.7006 20 L 4.2208 7.8901 117.8808 56.9449 41.8655 178.4308 21 L 4.6389 8.0973 117.4344 54.8695 42.3808 178.5832 22 K 3.8863 7.8955 118.4618 59.2718 32.1188 177.0442 23 N 4.8788 8.1788 112.3205 53.2993 39.1259 174.3242 24 H 4.5442 8.5674 115.5448 57.0994 30.6284 174.9574 25 F 4.5535 8.0118 115.6698 56.3001 40.1394 176.1049 26 S 4.3921 8.4661 119.6833 61.2865 63.4544 175.0544 27 K 4.5997 8.0058 119.7705 54.7130 35.7864 175.0722 28 V 4.6185 8.4874 126.6799 61.3145 33.6022 174.3259 29 I 4.5146 8.5367 130.0454 59.7791 39.0409 174.9293 30 T 5.1129 8.3257 117.1873 59.9640 71.3474 173.1582 31 L 4.5252 8.5012 122.8754 55.1651 44.2723 175.6316 32 S 4.6890 8.5671 112.3855 57.3201 64.9450 174.1699 33 S 4.7811 7.8081 115.5581 55.6921 64.8770 172.5744 34 P 4.0357 0.0000 0.0000 65.6588 30.9941 178.9327 35 V 3.6010 7.7230 116.3783 66.1682 31.6056 177.9049 36 S 4.1251 8.0825 114.8835 61.5549 62.6999 176.3791 37 L 3.8417 8.1168 123.2895 58.2621 41.5302 179.0546 38 S 4.2367 8.0686 114.0139 61.9309 62.7327 176.6909 39 T 3.9102 7.6647 119.1613 66.5437 68.2500 177.1940 40 V 3.6232 7.7607 114.2466 64.3381 31.2845 178.6169 41 L 3.6690 7.7031 117.9876 57.5721 41.4101 179.3166 42 R 4.1669 7.5555 117.6587 59.1473 30.2374 177.6546 43 E 4.3962 8.0775 116.1102 56.9762 30.1963 176.7088 44 E 4.3189 8.0556 116.2115 55.2984 30.5698 175.5629 45 N 4.0770 8.0890 115.7956 53.4977 36.0408 172.5835 46 P 4.4954 0.0000 0.0000 63.0922 32.5008 176.7732 47 E 4.4976 8.9219 120.1693 58.0970 30.6044 176.6637 48 V 4.5235 7.2430 116.5647 60.6952 34.7105 172.2457 49 V 4.6028 8.3041 121.9120 61.0093 34.5749 173.8676 50 L 4.8014 8.6692 130.4759 53.5238 43.6378 174.5798 51 L 4.7632 8.7659 129.6845 52.7412 44.6959 174.9786 52 D 4.8292 8.8076 126.9593 55.0863 41.6009 176.8400 53 M 4.1431 9.3024 126.3780 57.7266 33.5689 177.1816 54 N 5.2839 8.8539 114.4346 51.7722 39.2282 173.8469 55 F 4.5193 8.1730 121.9559 60.3734 39.5374 175.5772 56 T 3.0492 8.3559 117.0535 62.2968 67.5015 172.0102 57 S 4.0165 8.0697 117.1482 59.0801 62.7320 173.3598 *63 N 4.4997 8.4994 122.4463 53.0919 39.8457 172.8898 64 E 5.1030 7.6717 125.3748 53.3267 30.9357 178.1828 65 G 4.0209 9.7938 111.3288 49.2655 0.0000 174.8877 66 L 4.0987 8.0247 120.9257 57.2815 41.7021 179.0104 67 F 3.9320 8.2940 120.1574 61.3344 39.2525 177.1901 68 W 4.2478 8.3257 118.3675 59.4453 28.8118 178.2315 69 L 4.0127 8.5592 120.9830 58.5685 41.5402 178.6480 70 H 4.0964 8.1557 118.0737 59.2610 29.2897 177.1678 71 E 3.8174 7.9173 120.4730 59.1875 29.2027 179.3017 72 I 3.9287 8.0490 120.0198 64.5753 36.7293 178.7595 73 K 4.3039 8.2835 119.1162 59.0601 31.5411 179.4226 74 R 3.7793 7.7571 118.7502 59.2290 30.0491 177.6691 75 Q 4.0681 7.4664 116.3828 56.6806 30.8813 175.1899 76 Y 4.7223 7.9508 118.1250 55.4728 37.9117 176.0555 77 R 4.1168 8.0909 120.8367 58.1306 30.7253 177.5606 78 D 4.6766 7.9646 114.3758 53.8330 41.2821 175.5755 79 L 4.3323 7.8535 123.1763 53.5518 42.6109 174.8493 80 P 4.4816 0.0000 0.0000 62.1829 32.7396 175.4441 81 V 4.7536 8.4468 123.5009 61.0619 34.5539 173.8909 82 V 4.7917 8.7622 128.4723 61.1337 33.5524 174.7130 83 L 4.8094 8.7526 128.2632 54.4530 43.4388 175.7074 84 F 5.5194 9.3999 125.6838 56.9752 41.5596 173.8544 85 T 4.9126 9.0490 121.1667 59.7836 70.4583 173.5051 86 A 4.5728 8.5328 130.6753 52.0860 19.5605 177.7808 87 Y 3.9493 8.2040 117.4206 61.1821 38.0633 179.1694 88 A 4.2183 8.1293 120.6075 54.1231 18.8925 177.4198 89 D 4.9401 8.0775 115.5236 53.8668 41.5192 178.2996 90 I 3.4984 7.7028 116.9312 63.8177 37.2538 177.7885 91 D 4.2954 8.0252 120.6699 56.5582 39.1015 178.5521 92 L 4.0064 7.8219 119.6818 57.0564 41.6868 179.1432 93 A 3.7649 7.6211 120.9493 54.9386 18.1659 179.7769 94 V 3.6318 7.6602 116.9378 66.2160 31.6060 178.1974 95 R 4.0071 8.1376 118.5713 59.2033 29.7900 178.4921 96 G 3.7499 8.3588 106.0160 48.0238 0.0000 175.4825 97 I 3.9409 7.8821 122.3959 64.2478 36.9758 178.6422 98 K 4.0396 7.9165 117.7329 58.9313 31.8773 178.1701 99 E 4.5781 7.6324 116.1975 55.9034 29.7547 176.6463 100 G 4.0640 7.9372 106.8097 44.9019 0.0000 174.4281 101 A 4.1628 7.9283 122.7666 52.5074 18.6418 178.4378 102 S 4.3382 9.1972 118.0952 61.6926 64.3494 173.4833 103 D 4.4773 7.6694 117.3015 53.9308 44.4450 174.1746 104 F 5.5644 8.2147 114.0843 55.2821 41.3017 173.9840 105 V 4.5639 9.0771 119.6096 61.2708 34.2117 174.6197 106 V 4.6167 8.6290 127.0303 62.0470 33.3863 174.3639 107 K 5.1287 9.0622 126.6254 53.7875 34.5556 174.3740 108 P 4.3972 0.0000 0.0000 62.5103 31.8557 176.1913 109 W 4.9602 8.2263 118.0405 54.9189 30.0667 175.1331 110 D 4.8668 8.5216 117.6891 52.7502 42.9666 176.5211 111 N 4.6588 8.7998 124.4776 56.7684 38.7215 177.3442 112 Q 3.9987 8.1773 120.4186 58.9618 29.1760 177.7472 113 K 3.9145 8.8650 121.1926 59.3183 32.3076 178.4561 114 L 3.8578 8.3001 120.7446 58.0448 42.0524 178.6828 115 L 3.9295 7.7788 119.8742 58.2814 41.9606 178.7641 116 E 3.9666 8.3297 118.5175 59.7461 29.3465 179.4428 117 T 3.8187 8.1573 115.9951 66.6354 68.5019 176.7354 118 L 3.9778 7.8175 120.5197 57.6230 41.4879 179.3766 119 L 3.9753 8.1784 118.1980 57.9976 41.8990 179.0157 120 N 4.4377 8.4438 116.3119 56.3576 38.2517 177.3622 121 A 4.0006 8.0618 120.9564 54.8142 18.5733 178.8455 122 A 4.3232 7.9901 116.9251 52.9652 19.2859 177.7157 123 S 4.7386 7.7405 113.7752 57.9214 63.7869 174.3173 124 Q 4.3891 7.9569 117.6641 54.2674 30.2266 176.2448 125 A 4.1611 8.5752 122.1691 52.8659 18.3047 177.6495 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 0 S 8.33 4.37 0.00 3.96 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 1 L 8.15 4.61 0.00 1.41 1.39 -0.18 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 2 G 10.32 4.32 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 3 T 8.72 5.11 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 1.19 0.00 0.00 4 I 8.33 4.68 0.57 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.52 0.31 0.00 0.00 5 I 7.96 4.71 1.70 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.50 0.74 0.00 0.00 6 I 8.81 4.64 1.72 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.29 0.76 0.00 0.00 7 V 8.40 4.44 1.61 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 -0.62 0.00 0.00 0.59 0.00 0.00 8 D 8.27 5.03 0.00 2.72 2.46 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 9 D 9.30 4.45 0.00 2.80 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 10 N 8.73 4.74 0.00 2.74 2.88 0.00 0.00 7.03 5.53 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 11 K 8.67 4.16 0.00 1.90 1.86 0.00 1.74 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.58 7.81 12 G 8.57 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 0.00 0.00 0.00 13 V 7.96 3.79 2.28 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 1.07 0.00 0.00 1.03 0.00 0.00 14 L 7.81 3.95 0.00 1.96 1.68 0.95 0.48 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 15 T 8.21 3.87 4.44 0.00 0.00 0.00 0.00 0.00 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 16 A 8.30 4.10 1.68 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 17 V 8.34 3.52 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 0.72 0.00 0.00 0.65 0.00 0.00 18 Q 8.19 3.89 0.00 2.21 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 19 L 7.61 3.96 0.00 1.73 1.93 0.95 1.11 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 20 L 7.89 4.22 0.00 1.86 1.78 1.37 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.10 4.64 0.00 1.65 1.81 0.66 0.79 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 22 K 7.90 3.89 0.00 1.79 1.96 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.65 7.81 23 N 8.18 4.88 0.00 2.70 2.77 0.00 0.00 6.73 8.16 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 24 H 8.57 4.54 0.00 3.23 3.08 0.00 5.84 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 F 8.01 4.55 0.00 2.99 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 26 S 8.47 4.39 0.00 3.83 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 27 K 8.01 4.60 0.00 1.78 1.58 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.42 7.81 28 V 8.49 4.62 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 0.76 0.00 0.00 0.91 0.00 0.00 29 I 8.54 4.51 1.76 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.57 0.83 0.00 0.00 30 T 8.33 5.11 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 1.23 0.00 0.00 31 L 8.50 4.53 0.00 1.68 1.69 0.76 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 32 S 8.57 4.69 0.00 3.86 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 33 S 7.81 4.78 0.00 3.86 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 34 P 0.00 4.04 0.00 2.30 2.10 0.00 3.63 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.86 0.00 35 V 7.72 3.60 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 1.10 0.00 0.00 0.98 0.00 0.00 36 S 8.08 4.13 0.00 4.04 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 37 L 8.12 3.84 0.00 1.69 1.81 0.76 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.07 4.24 0.00 4.20 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 0.00 39 T 7.66 3.91 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 1.21 0.00 0.00 40 V 7.76 3.62 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 0.79 0.00 0.00 0.91 0.00 0.00 41 L 7.70 3.67 0.00 1.51 0.92 0.97 0.44 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 42 R 7.56 4.17 0.00 1.91 2.12 0.00 3.29 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 43 E 8.08 4.40 0.00 1.97 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 0.00 2.29 2.46 0.00 44 E 8.06 4.32 0.00 2.00 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 2.28 2.35 0.00 45 N 8.09 4.08 0.00 2.75 2.79 0.00 0.00 7.03 8.02 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 46 P 0.00 4.50 0.00 2.05 1.92 0.00 3.59 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 1.79 1.76 0.00 47 E 8.92 4.50 0.00 2.04 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 0.00 2.32 2.27 0.00 48 V 7.24 4.52 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 0.52 0.00 0.00 0.87 0.00 0.00 49 V 8.30 4.60 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 0.77 0.00 0.00 0.81 0.00 0.00 50 L 8.67 4.80 0.00 1.46 1.23 0.50 -0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.77 4.76 0.00 1.67 1.49 0.79 1.14 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 52 D 8.81 4.83 0.00 3.13 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 53 M 9.30 4.14 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.55 0.00 54 N 8.85 5.28 0.00 2.95 2.82 0.00 0.00 6.58 8.07 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 55 F 8.17 4.52 0.00 3.15 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 56 T 8.36 3.05 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 0.15 0.00 0.00 57 S 8.07 4.02 0.00 4.03 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 *63 N 8.50 4.50 0.00 2.30 2.04 0.00 0.00 6.93 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 64 E 7.67 5.10 0.00 2.05 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 2.35 2.27 0.00 65 G 9.79 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 0.00 0.00 0.00 66 L 8.02 4.10 0.00 1.76 1.77 0.94 1.06 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 67 F 8.29 3.93 0.00 3.02 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 68 W 8.33 4.25 0.00 3.75 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 69 L 8.56 4.01 0.00 1.81 2.02 0.97 0.83 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 70 H 8.16 4.10 0.00 3.34 3.22 0.00 5.83 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 E 7.92 3.82 0.00 1.85 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 1.47 1.47 0.00 72 I 8.05 3.93 2.08 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 1.65 0.95 1.00 0.00 0.00 73 K 8.28 4.30 0.00 1.71 1.84 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.77 1.60 7.81 74 R 7.76 3.78 0.00 1.84 1.99 0.00 3.17 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 75 Q 7.47 4.07 0.00 1.88 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.92 0.00 0.00 0.00 0.00 0.00 1.61 1.16 0.00 76 Y 7.95 4.72 0.00 2.97 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 77 R 8.09 4.12 0.00 1.80 2.00 0.00 3.20 0.00 0.00 3.17 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 78 D 7.96 4.68 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 79 L 7.85 4.33 0.00 1.69 1.82 0.89 0.60 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 80 P 0.00 4.48 0.00 2.10 1.96 0.00 4.01 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.93 0.00 81 V 8.45 4.75 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 0.94 0.00 0.00 82 V 8.76 4.79 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 0.85 0.00 0.00 0.88 0.00 0.00 83 L 8.75 4.81 0.00 1.79 1.63 0.97 0.83 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 84 F 9.40 5.52 0.00 2.88 2.81 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 85 T 9.05 4.91 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 1.10 0.00 0.00 86 A 8.53 4.57 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 87 Y 8.20 3.95 0.00 3.25 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 88 A 8.13 4.22 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 89 D 8.08 4.94 0.00 2.65 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 7.70 3.50 1.79 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 1.88 0.60 0.78 0.00 0.00 91 D 8.03 4.30 0.00 2.88 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 92 L 7.82 4.01 0.00 1.81 1.74 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 93 A 7.62 3.76 0.38 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 94 V 7.66 3.63 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 1.04 0.00 0.00 1.05 0.00 0.00 95 R 8.14 4.01 0.00 1.93 2.08 0.00 3.17 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 96 G 8.36 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 0.00 0.00 0.00 97 I 7.88 3.94 2.14 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 2.05 1.12 0.98 0.00 0.00 98 K 7.92 4.04 0.00 1.99 1.91 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.66 7.81 99 E 7.63 4.58 0.00 1.99 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 2.29 2.48 0.00 100 G 7.94 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 0.00 0.00 0.00 101 A 7.93 4.16 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.20 4.34 0.00 3.87 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 0.00 103 D 7.67 4.48 0.00 2.62 2.42 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 0.00 104 F 8.21 5.56 0.00 3.10 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 0.00 105 V 9.08 4.56 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 1.20 0.00 0.00 0.83 0.00 0.00 106 V 8.63 4.62 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 -0.10 0.00 0.00 0.95 0.00 0.00 107 K 9.06 5.13 0.00 1.66 1.75 0.00 1.40 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.58 0.80 7.81 108 P 0.00 4.40 0.00 2.06 1.95 0.00 4.09 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 2.10 1.98 0.00 109 W 8.23 4.96 0.00 3.57 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 0.00 110 D 8.52 4.87 0.00 2.88 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 0.00 111 N 8.80 4.66 0.00 2.87 2.99 0.00 0.00 6.79 7.32 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 0.00 112 Q 8.18 4.00 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 113 K 8.87 3.91 0.00 2.05 2.00 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.47 7.81 114 L 8.30 3.86 0.00 1.88 1.95 0.28 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.78 3.93 0.00 1.81 1.78 0.79 0.57 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 0.00 116 E 8.33 3.97 0.00 2.09 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 0.00 2.32 2.61 0.00 117 T 8.16 3.82 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 1.21 0.00 0.00 118 L 7.82 3.98 0.00 1.93 1.79 0.67 0.29 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 0.00 119 L 8.18 3.98 0.00 1.53 1.67 0.85 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 120 N 8.44 4.44 0.00 2.87 2.85 0.00 0.00 6.97 8.72 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 0.00 121 A 8.06 4.00 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 0.00 122 A 7.99 4.32 1.47 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 0.00 0.00 0.00 123 S 7.74 4.74 0.00 3.87 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 0.00 124 Q 7.96 4.39 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.01 0.00 0.00 0.00 0.00 0.00 2.46 2.28 0.00 125 A 8.58 4.16 1.23 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.