NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.0848 8.0393 120.3159 61.7961 32.9121 175.5060 4 T 4.2883 8.2182 114.5118 58.6678 71.7460 170.9188 5 V 3.3633 8.3034 122.3464 64.9187 31.7058 179.4172 6 Q 3.4236 7.6799 119.5966 58.7314 28.9439 177.6380 7 D 4.3941 7.9745 120.1267 57.6092 40.9620 179.1266 8 I 3.7608 7.7771 113.3256 64.0984 37.5245 178.0416 9 C 4.0280 7.9414 118.5571 62.4453 27.9369 175.8485 10 F 4.0255 8.4262 122.0933 61.1728 38.9445 177.0605 11 A 3.9901 8.2942 120.4983 55.0037 18.1030 179.1595 12 F 3.8341 8.5501 119.5230 61.4967 39.4061 177.4546 13 L 3.2510 7.6391 118.3088 57.4884 41.4703 179.2459 14 Q 3.8097 7.6683 119.4076 59.2582 28.9881 178.1031 15 N 4.1095 8.0962 117.7562 56.1882 38.2684 176.7052 16 Y 3.4492 7.0920 119.9726 60.9018 38.5590 177.6946 17 Y 4.1762 7.6215 117.4194 60.8580 37.9329 178.0324 18 E 4.0203 8.0658 119.5049 59.0597 29.4782 179.3764 19 R 3.8990 7.6899 119.6021 58.6692 30.0833 178.8937 20 M 3.8345 7.3762 117.8032 58.1569 31.6590 178.7391 21 R 3.9898 7.6270 117.6716 59.5473 30.1607 178.0618 22 T 4.3239 7.7171 109.4482 63.5227 69.8855 173.3977 23 D 4.5129 8.1677 118.3724 52.5312 43.0403 173.5757 24 P 4.1513 0.0000 0.0000 64.9598 31.6647 178.6451 25 S 4.4336 7.9810 110.2906 59.1804 63.3953 175.2767 26 K 4.5760 8.0070 120.0253 56.0672 32.7037 177.4787 27 L 4.1130 7.7585 120.9431 58.1555 41.5815 179.2517 28 A 4.4385 8.3379 119.6590 55.0862 18.1155 178.6608 29 Y 4.0546 8.0508 117.2998 60.3217 38.9826 176.8057 30 F 4.4971 8.6243 116.8776 57.6287 39.5077 174.6018 31 Y 5.0661 7.8420 118.6260 55.7523 40.0017 175.6610 32 A 4.2607 8.8571 126.3020 51.9365 19.3059 179.0477 33 S 4.1794 8.8267 115.0040 61.1509 63.0167 176.0526 34 T 4.6142 7.7355 108.0660 60.9348 69.0501 174.1830 35 A 4.4930 7.8546 124.1992 53.1637 20.0755 176.9207 36 E 5.0504 9.1441 119.3871 54.4388 32.4503 174.9616 37 L 5.2359 9.0306 126.3970 53.5043 45.6190 175.1693 38 T 4.9598 9.3135 122.2712 62.1862 71.4607 172.4082 39 H 5.2386 8.8982 126.0395 53.7802 34.2463 172.3399 40 T 4.0325 8.3789 117.3645 64.4435 68.8168 174.2886 41 N 4.7063 9.2263 126.6879 52.2464 37.4278 174.7904 42 Y 4.2076 8.1239 120.9057 60.1643 38.3606 177.5894 43 Q 4.2097 8.0586 116.8602 56.9510 29.2617 176.2974 44 S 4.1670 8.3539 114.3106 58.9549 64.4028 173.8541 45 K 3.8715 8.2165 119.9224 56.0920 35.3473 176.5354 *50 K 4.1266 8.7624 116.5324 55.9001 34.3799 175.3875 51 D 4.4739 8.6337 118.7230 55.0401 40.9307 176.0895 52 D 4.8270 8.7731 121.9698 52.9301 39.8171 175.9654 53 V 4.8335 7.6821 111.5052 59.9376 35.3204 174.5533 54 L 4.6523 7.8587 120.2133 52.0240 44.8975 174.9108 55 P 4.7859 0.0000 0.0000 62.9164 33.1043 174.6747 56 T 5.3589 8.3405 110.0570 59.9324 72.2884 173.1254 57 V 4.5036 8.5734 120.2594 59.9568 35.0816 174.3642 58 K 4.7791 8.5030 122.2304 55.4310 33.5056 176.2167 59 V 4.4122 8.8880 124.0581 61.3502 35.1069 174.1644 60 T 4.9057 8.5715 122.7891 62.9359 71.9084 174.3325 61 G 3.9895 9.3747 113.0724 46.0365 0.0000 174.4391 62 R 3.8735 8.8837 122.4766 59.3796 30.1006 179.0676 63 E 4.0220 8.1357 117.8581 59.5405 29.4618 178.9666 64 N 4.3984 8.0813 116.0636 56.2060 38.6075 177.3960 65 I 3.5111 7.8849 121.3809 64.2655 37.0799 177.9004 66 N 4.4328 8.5722 118.3054 56.6874 38.7936 176.7758 67 K 3.9474 8.2199 120.9932 59.3101 32.0395 178.4928 68 F 4.0590 8.1706 120.0510 61.4430 39.5279 176.8198 69 F 4.3888 8.2665 117.4365 60.6759 38.1930 177.9163 70 S 4.2062 8.6856 117.6210 62.3393 62.4387 177.6232 71 R 4.0240 7.9566 122.0789 60.4704 29.1742 179.4008 72 N 4.8845 7.3197 114.3720 52.9816 39.3446 176.2166 73 D 4.2713 7.6974 121.1960 57.7448 40.9571 178.2687 74 A 3.9299 7.7571 118.7766 55.1167 18.7610 179.2880 75 K 3.9484 7.6723 116.3876 59.5774 32.1493 179.6185 76 V 3.7395 7.8068 118.8621 66.0979 31.2276 178.2132 77 R 4.5912 8.2890 118.1852 57.7107 30.2382 177.4505 78 S 4.6078 7.8594 112.3542 57.6964 63.5867 173.3544 79 L 3.8561 7.7121 124.2142 55.2013 42.3638 176.2300 80 K 4.5181 8.1288 124.4554 54.8040 36.6584 175.0251 81 L 4.8442 7.9170 120.3872 54.8363 43.4643 174.2557 82 K 4.4225 9.1880 122.7641 54.8965 33.7195 174.8941 83 L 4.5823 8.5072 130.7318 54.7589 42.4398 175.4881 84 D 4.8441 9.2387 127.4327 56.2210 42.7087 176.8480 85 T 5.0203 7.6147 106.4813 60.0904 72.6381 172.8889 86 I 5.2278 8.3628 122.6492 59.9008 41.1198 174.3693 87 D 5.0910 9.4053 126.0439 52.5048 44.6352 174.7862 88 F 5.4704 7.8515 115.4635 55.8227 41.4624 173.3078 89 Q 4.6644 8.9256 117.4099 54.7276 33.5609 174.0030 90 Y 4.7719 8.4347 118.3531 58.7137 39.4426 174.3372 91 T 4.3163 9.1417 115.1622 62.6287 71.9859 173.3912 92 G 4.1767 8.6262 111.0151 44.8226 0.0000 171.5621 93 H 4.3061 8.7380 118.5752 57.6487 29.9994 176.1560 94 L 3.4111 9.0481 125.0022 55.5000 39.0549 173.6183 95 H 4.3112 8.0603 114.7890 57.2853 28.6389 175.4593 96 K 4.2848 7.8480 116.1557 56.5136 32.9710 177.2718 97 S 4.9392 7.8947 115.2359 58.0896 64.8448 173.1332 98 I 4.8640 8.6054 122.0266 59.4872 40.4856 174.3842 99 L 4.8825 9.0467 129.9083 53.9733 43.5805 175.1358 100 I 5.1508 8.9047 127.1338 59.7738 40.7150 174.3338 101 M 5.3319 9.5015 125.7478 53.4765 35.3372 174.5733 102 A 5.5035 9.5186 124.8524 50.4316 22.7414 175.0217 103 T 4.2842 8.5015 109.3513 59.9098 72.8577 174.2018 104 G 4.0331 6.2948 107.8681 45.3638 0.0000 171.0736 105 E 5.2811 8.4574 119.6912 54.9572 33.0826 174.8056 106 M 5.1998 9.8718 125.0842 54.0006 35.3480 174.4295 107 F 5.4982 8.4265 118.8447 55.9167 42.3874 172.4946 108 W 5.1372 9.5855 117.6988 54.4463 33.2858 175.5361 109 T 4.0504 8.1967 117.4558 65.7885 68.0192 175.0098 110 G 4.0284 9.2647 114.3949 45.7256 0.0000 172.9487 111 T 4.6148 8.2942 110.1681 59.0714 70.6964 172.5688 112 P 4.4453 0.0000 0.0000 62.3855 32.1464 176.1282 113 V 4.4589 7.7184 111.7934 61.5025 32.9008 175.6050 114 Y 4.8885 9.2299 119.5251 56.2969 42.0922 175.2493 115 K 4.9507 9.0875 123.7374 56.5965 33.7705 175.9317 116 F 5.4966 9.1131 118.1724 55.5090 41.9979 172.7878 117 C 5.1876 9.0463 114.5187 56.4706 32.7640 172.6165 118 Q 4.9917 9.5354 122.8851 54.6889 32.2647 173.7374 119 T 5.1324 8.8601 122.4338 61.7944 72.0881 173.0570 120 F 5.4095 9.3299 123.2546 55.7296 43.6323 173.8873 121 I 4.9211 8.6173 121.6458 59.5766 40.2882 174.3794 122 L 5.0111 8.8061 127.3799 52.8347 44.0229 175.0384 123 L 5.1587 8.9978 126.6565 52.3727 44.2551 174.0233 124 P 4.0332 0.0000 0.0000 62.5391 31.7059 176.1494 125 S 3.9562 8.7122 117.1988 61.3220 63.4010 175.5448 *129 S 4.4368 7.8036 116.6185 56.5433 64.9200 173.3665 130 T 4.8450 7.3370 109.3318 59.4719 72.3163 172.8861 131 F 5.2766 8.7944 119.0631 55.8118 42.7460 174.3426 132 D 5.2236 8.9590 121.5880 52.4141 43.8706 175.8134 133 I 4.3465 8.8686 124.6657 61.9047 37.5332 176.6694 134 T 4.5476 9.3110 117.9018 62.5756 71.0086 174.3540 135 N 5.5270 7.9957 118.6148 51.9916 43.7293 173.5012 136 D 4.7260 8.9662 122.5756 53.5988 44.6473 173.8271 137 I 4.9327 8.6497 127.6975 59.4260 40.5487 174.5200 138 I 4.8115 8.4092 127.2929 59.1419 40.3136 174.6636 139 R 4.5534 8.7258 128.2040 54.5671 33.0970 174.0061 140 F 5.0711 8.9440 125.0611 57.1082 40.2906 174.9501 141 I 4.6321 8.5649 123.6222 59.3142 39.3222 175.7529 142 S 4.5055 8.7921 121.7986 58.0650 63.1268 173.2425 143 N 4.5273 8.8799 124.6052 53.9470 38.6218 174.5199 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 3 V 8.04 4.08 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 0.99 0.00 0.00 0.96 0.00 0.00 4 T 8.22 4.29 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 1.22 0.00 0.00 5 V 8.30 3.36 1.95 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 0.73 0.00 0.00 0.01 0.00 0.00 6 Q 7.68 3.42 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.46 2.65 0.00 7 D 7.97 4.39 0.00 2.94 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 8 I 7.78 3.76 1.87 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.87 1.01 0.00 0.00 9 C 7.94 4.03 0.00 2.95 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 10 F 8.43 4.03 0.00 3.23 3.04 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 0.00 0.00 0.00 11 A 8.29 3.99 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 12 F 8.55 3.83 0.00 2.91 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 13 L 7.64 3.25 0.00 1.76 1.59 0.76 0.90 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 14 Q 7.67 3.81 0.00 1.79 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 15 N 8.10 4.11 0.00 2.62 2.53 0.00 0.00 6.70 7.70 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 16 Y 7.09 3.45 0.00 1.63 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 0.00 0.00 0.00 0.00 17 Y 7.62 4.18 0.00 3.01 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 18 E 8.07 4.02 0.00 2.00 1.90 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 2.27 2.38 0.00 19 R 7.69 3.90 0.00 1.63 1.72 0.00 2.63 0.00 0.00 2.50 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.42 0.00 20 M 7.38 3.83 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.11 0.00 21 R 7.63 3.99 0.00 1.72 2.07 0.00 3.18 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 22 T 7.72 4.32 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 1.19 0.00 0.00 23 D 8.17 4.51 0.00 2.58 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 24 P 0.00 4.15 0.00 2.33 2.04 0.00 3.74 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 2.23 2.19 0.00 25 S 7.98 4.43 0.00 4.04 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 26 K 8.01 4.58 0.00 1.87 1.93 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.35 1.56 7.81 27 L 7.76 4.11 0.00 1.52 1.52 -0.13 0.43 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 28 A 8.34 4.44 1.54 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 0.00 0.00 29 Y 8.05 4.05 0.00 2.94 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 30 F 8.62 4.50 0.00 3.45 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 31 Y 7.84 5.07 0.00 3.23 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 32 A 8.86 4.26 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 33 S 8.83 4.18 0.00 4.02 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 34 T 7.74 4.61 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 1.22 0.00 0.00 35 A 7.85 4.49 1.67 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 36 E 9.14 5.05 0.00 1.94 1.85 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 2.23 2.24 0.00 37 L 9.03 5.24 0.00 1.59 1.43 1.21 -0.02 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 38 T 9.31 4.96 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 1.17 0.00 0.00 39 H 8.90 5.24 0.00 3.07 2.84 0.00 5.82 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.38 4.03 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 0.58 0.00 0.00 41 N 9.23 4.71 0.00 2.63 2.67 0.00 0.00 6.77 7.25 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 42 Y 8.12 4.21 0.00 3.01 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 43 Q 8.06 4.21 0.00 2.35 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 44 S 8.35 4.17 0.00 3.82 3.78 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 45 K 8.22 3.87 0.00 1.94 1.76 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.40 7.81 *50 K 8.76 4.13 0.00 1.93 1.96 0.00 1.63 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.48 7.81 51 D 8.63 4.47 0.00 2.78 2.87 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 52 D 8.77 4.83 0.00 2.73 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 53 V 7.68 4.83 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 0.94 0.00 0.00 1.01 0.00 0.00 54 L 7.86 4.65 0.00 0.52 1.02 -0.34 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 55 P 0.00 4.79 0.00 2.09 2.15 0.00 3.45 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 56 T 8.34 5.36 4.31 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 1.36 0.00 0.00 57 V 8.57 4.50 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 0.63 0.00 0.00 0.84 0.00 0.00 58 K 8.50 4.78 0.00 1.59 1.71 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.66 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.37 7.81 59 V 8.89 4.41 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 0.90 0.00 0.00 0.36 0.00 0.00 60 T 8.57 4.91 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 1.20 0.00 0.00 61 G 9.37 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 62 R 8.88 3.87 0.00 2.07 1.98 0.00 3.34 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 63 E 8.14 4.02 0.00 2.06 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 2.42 2.42 0.00 64 N 8.08 4.40 0.00 2.98 2.83 0.00 0.00 7.14 7.30 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 65 I 7.88 3.51 1.87 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.56 0.47 0.00 0.00 66 N 8.57 4.43 0.00 2.82 3.04 0.00 0.00 6.89 6.30 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 67 K 8.22 3.95 0.00 1.90 1.99 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.46 7.81 68 F 8.17 4.06 0.00 2.92 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 69 F 8.27 4.39 0.00 3.20 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 70 S 8.69 4.21 0.00 3.93 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 71 R 7.96 4.02 0.00 1.92 1.85 0.00 3.23 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 72 N 7.32 4.88 0.00 2.32 2.15 0.00 0.00 6.48 8.91 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 73 D 7.70 4.27 0.00 2.91 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 74 A 7.76 3.93 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 75 K 7.67 3.95 0.00 1.37 0.99 0.00 1.34 0.00 0.00 1.47 0.00 0.00 2.81 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.14 7.81 76 V 7.81 3.74 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 1.04 0.00 0.00 0.94 0.00 0.00 77 R 8.29 4.59 0.00 1.98 1.96 0.00 3.14 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.61 0.00 78 S 7.86 4.61 0.00 4.09 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 79 L 7.71 3.86 0.00 1.84 1.64 1.12 0.37 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 80 K 8.13 4.52 0.00 0.79 0.74 0.00 1.28 0.00 0.00 1.47 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.02 1.12 7.81 81 L 7.92 4.84 0.00 1.72 1.25 0.26 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 82 K 9.19 4.42 0.00 1.90 1.80 0.00 1.65 0.00 0.00 1.60 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.40 7.81 83 L 8.51 4.58 0.00 1.68 1.59 0.92 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 84 D 9.24 4.84 0.00 2.74 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 85 T 7.61 5.02 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 86 I 8.36 5.23 2.03 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.79 1.11 0.00 0.00 87 D 9.41 5.09 0.00 2.51 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 88 F 7.85 5.47 0.00 2.85 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 89 Q 8.93 4.66 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.97 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 90 Y 8.43 4.77 0.00 2.55 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 91 T 9.14 4.32 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 1.27 0.00 0.00 92 G 8.63 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 0.00 0.00 0.00 0.00 93 H 8.74 4.31 0.00 3.16 3.24 0.00 5.83 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 9.05 3.41 0.00 1.69 1.62 0.84 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 95 H 8.06 4.31 0.00 3.16 3.22 0.00 5.93 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 7.85 4.28 0.00 1.95 1.88 0.00 1.72 0.00 0.00 1.54 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.57 1.50 7.81 97 S 7.89 4.94 0.00 4.07 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 98 I 8.61 4.86 1.46 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.74 0.56 0.00 0.00 99 L 9.05 4.88 0.00 1.74 1.63 0.93 0.89 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 0.00 100 I 8.90 5.15 1.96 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.53 1.02 0.00 0.00 101 M 9.50 5.33 0.00 1.88 1.93 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 102 A 9.52 5.50 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.50 4.28 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 1.11 0.00 0.00 104 G 6.29 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 0.00 0.00 0.00 105 E 8.46 5.28 0.00 1.98 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 2.29 2.25 0.00 106 M 9.87 5.20 0.00 2.17 1.53 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.38 0.00 107 F 8.43 5.50 0.00 3.40 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 0.00 108 W 9.59 5.14 0.00 3.39 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 0.00 109 T 8.20 4.05 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 1.28 0.00 0.00 110 G 9.26 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 0.00 0.00 0.00 111 T 8.29 4.61 4.59 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 1.58 0.00 0.00 112 P 0.00 4.45 0.00 1.95 2.02 0.00 3.91 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 1.81 1.93 0.00 113 V 7.72 4.46 2.16 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 0.53 0.00 0.00 0.86 0.00 0.00 114 Y 9.23 4.89 0.00 3.22 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 0.00 115 K 9.09 4.95 0.00 2.09 1.80 0.00 1.67 0.00 0.00 1.89 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.58 1.50 7.81 116 F 9.11 5.50 0.00 2.70 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 0.00 117 C 9.05 5.19 0.00 2.91 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 0.00 118 Q 9.54 4.99 0.00 2.33 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 1.36 2.22 0.00 119 T 8.86 5.13 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 1.23 0.00 0.00 120 F 9.33 5.41 0.00 2.74 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 0.00 121 I 8.62 4.92 1.89 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 1.24 1.02 0.93 0.00 0.00 122 L 8.81 5.01 0.00 1.13 1.30 -0.03 -0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 123 L 9.00 5.16 0.00 1.76 1.56 0.97 0.77 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 0.00 124 P 0.00 4.03 0.00 1.88 1.55 0.00 3.91 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.15 0.00 125 S 8.71 3.96 0.00 3.87 3.87 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 *129 S 7.80 4.44 0.00 4.01 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 0.00 130 T 7.34 4.84 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 1.25 0.00 0.00 131 F 8.79 5.28 0.00 2.87 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 0.00 132 D 8.96 5.22 0.00 2.59 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 0.00 133 I 8.87 4.35 1.35 0.00 0.00 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 1.23 0.79 1.01 0.00 0.00 134 T 9.31 4.55 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 1.26 0.00 0.00 135 N 8.00 5.53 0.00 2.64 2.70 0.00 0.00 6.57 8.08 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 0.00 136 D 8.97 4.73 0.00 3.04 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 0.00 137 I 8.65 4.93 1.78 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 1.08 0.44 0.86 0.00 0.00 138 I 8.41 4.81 1.78 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.86 0.85 0.00 0.00 139 R 8.73 4.55 0.00 1.86 1.66 0.00 3.24 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 140 F 8.94 5.07 0.00 3.14 3.17 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 0.00 141 I 8.56 4.63 1.94 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.80 0.95 0.00 0.00 142 S 8.79 4.51 0.00 3.89 3.80 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 0.00 143 N 8.88 4.53 0.00 2.75 2.69 0.00 0.00 7.03 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 * Residues marked with a * may have inaccurate shift predictions.