NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.3346 8.3149 120.0051 56.3499 33.9380 175.4158 7 L 4.2873 8.2603 120.4742 53.4215 42.4027 174.8186 8 H 5.0567 9.1279 116.7781 54.0958 32.5411 172.5013 9 K 4.5626 8.6425 120.2494 55.9699 33.2760 176.0031 10 E 4.8931 9.0754 123.4290 53.7603 33.2670 173.9219 11 P 4.9477 0.0000 0.0000 63.0455 32.2163 175.5182 12 A 4.8856 8.5115 122.8342 51.2228 22.7043 175.6710 13 T 4.6164 8.5868 116.7191 61.3278 71.4922 173.8048 14 L 4.2448 8.5795 128.1243 55.7404 42.3919 175.5880 15 I 4.3340 8.3599 126.5727 61.9772 38.9040 176.0353 16 K 4.3565 7.4954 118.6004 55.5658 35.4503 173.5455 17 A 4.5303 8.7726 130.6689 51.9838 19.3614 176.7807 18 I 4.1510 8.3700 124.7126 62.8131 38.3924 175.5510 19 D 4.6448 7.2876 117.9280 52.5966 41.3527 174.6183 20 G 3.9313 9.3764 106.0016 48.1889 0.0000 173.7057 21 D 5.0321 8.2979 116.2676 52.8144 41.3794 175.4003 22 T 5.1617 8.2325 116.1267 62.2753 72.1835 173.4158 23 V 4.8172 8.9663 118.1667 59.7161 36.9500 174.2040 24 K 5.0403 9.2778 122.9100 55.1115 33.9432 175.7377 25 L 5.2488 9.3113 124.6055 53.1132 46.5905 175.5262 26 M 4.9120 9.3481 121.9998 54.7062 33.5621 174.0822 27 Y 4.9718 9.0245 128.8854 55.7796 41.3980 175.8854 28 K 3.4400 9.1778 127.6289 57.5914 29.5614 176.2253 29 G 3.9471 8.3400 103.1327 45.7950 0.0000 173.2742 30 Q 4.8085 7.7770 118.9951 52.8693 32.2628 173.0919 31 P 4.8967 0.0000 0.0000 63.3153 32.0122 175.5653 32 M 4.9756 9.6287 123.4322 53.8495 37.0896 174.0519 33 T 4.9453 8.3620 117.4131 62.4307 70.7667 173.6677 34 F 5.1031 9.8210 125.5118 55.5553 42.1246 174.2803 35 R 4.9971 9.0428 123.3912 54.1534 32.5445 174.8570 36 L 4.4327 8.6881 127.3858 54.7108 42.3799 177.3133 37 L 3.9618 8.5669 124.1372 55.3958 42.9863 177.5315 38 L 4.2053 8.7229 118.9373 54.7128 39.5431 174.0616 39 V 5.0908 7.3682 109.0989 59.9551 36.3186 174.9626 40 D 4.8610 8.9457 121.7908 53.6144 43.6176 174.3200 41 T 4.7649 9.0586 117.1116 59.8470 71.0975 172.8857 42 P 4.4923 0.0000 0.0000 62.3934 32.5187 176.1358 43 E 4.0349 9.4415 121.6423 56.7238 30.0894 177.9726 *50 F 4.7507 8.6166 123.7148 58.1849 41.0575 175.4715 51 N 4.5799 8.2427 114.8320 53.1574 37.8669 174.1057 52 E 4.5547 8.1819 119.5502 53.8219 32.1987 175.0534 53 K 3.7700 8.2112 121.2360 58.2805 32.4913 176.3694 54 Y 4.1741 7.7333 121.2482 59.0887 35.9430 171.4151 55 G 3.5059 8.1548 108.2674 47.5597 0.0000 174.4357 56 P 4.1401 0.0000 0.0000 64.8444 31.3879 178.6498 57 E 3.9995 8.0711 116.7889 59.4208 29.5275 179.0744 58 A 4.0663 8.2629 120.8974 55.1811 18.0028 179.8505 59 S 4.1226 8.3995 113.4707 61.8300 62.9535 176.8099 60 A 4.1278 8.3286 123.4900 54.9885 18.1097 179.3723 61 F 3.9528 8.4650 119.1077 61.8805 39.4704 177.5123 62 T 3.9731 8.2284 115.2846 66.4134 68.2067 176.4358 63 K 3.8674 8.3147 121.6928 59.5523 32.2204 178.8459 64 K 3.8704 8.1142 118.5788 59.7046 31.7718 178.9594 65 M 3.8712 7.6130 116.9064 58.7624 32.5209 178.2967 66 V 3.8295 8.0192 112.5472 64.0891 31.6258 178.5053 67 E 4.0876 8.2250 117.7606 59.1735 29.4223 177.6648 68 N 4.5351 8.0075 113.5972 53.7620 39.0958 175.4630 69 A 4.3794 7.2334 120.6755 52.0294 19.1528 177.8566 70 K 4.2063 9.2295 121.5020 58.3192 32.7822 177.9782 71 K 4.7299 8.6641 117.7737 54.4383 35.8719 175.4998 72 I 5.0231 8.3645 124.2208 59.6109 40.5042 174.3501 73 E 5.1900 9.2692 125.0378 54.6507 33.9750 175.0112 74 V 4.7076 8.8927 115.3904 59.5101 35.4135 174.6821 75 E 4.9055 8.9632 124.5224 54.3588 32.0827 174.9725 76 F 4.6024 8.7606 125.7224 57.6469 40.0868 175.8142 77 D 4.9846 8.4744 120.6396 53.4990 43.2365 175.8232 78 K 4.3236 9.1398 117.1331 57.9522 33.0521 178.1274 79 G 4.2425 7.8482 109.9089 44.3508 0.0000 173.3278 80 Q 3.9792 8.7292 121.3424 56.9164 29.2672 176.8907 81 R 4.5279 8.4951 119.8739 56.5724 30.9715 176.0028 82 T 5.0218 7.3651 107.1596 59.8582 71.9443 173.2298 83 D 4.7375 8.5359 123.7184 51.5519 41.4492 177.2398 84 K 3.8321 8.2998 117.3400 59.5590 32.3480 177.0908 85 Y 4.3001 7.9931 115.4943 57.7434 38.0700 176.1290 86 G 3.8963 8.2141 108.3010 45.4144 0.0000 173.6892 87 R 4.3602 8.2893 119.6518 54.9319 31.7061 176.4437 88 G 3.2884 8.4266 111.6309 46.0994 0.0000 172.4052 89 L 5.2846 8.9984 124.2764 52.4397 43.3932 175.5332 90 A 4.3624 8.1728 124.2922 51.1758 23.3043 173.7011 91 Y 4.8363 8.6088 117.1914 56.9609 39.5823 175.2258 92 K 4.8569 8.8831 125.8617 54.9573 34.8285 174.4162 93 Y 5.1632 9.2633 124.0179 56.0849 41.5696 174.4062 94 A 4.8837 9.1599 126.2946 50.0995 21.1563 176.1758 95 D 4.2666 9.8702 124.5582 56.2241 38.9661 175.7859 96 G 3.9885 8.5590 106.5105 45.2208 0.0000 173.8334 97 K 4.4689 7.7969 120.3809 54.9835 33.4370 175.5443 98 M 4.0475 8.5277 123.7882 55.0511 33.2226 176.9741 99 V 3.6487 8.6451 127.1679 66.0139 31.6517 177.6532 100 N 4.3086 8.0524 115.8167 56.4744 38.4155 176.8006 101 E 3.9066 8.0808 119.7181 59.1007 29.9136 178.2854 102 A 4.0637 8.1223 120.8456 55.2932 18.4293 179.5770 103 L 3.3987 8.0308 117.3143 57.8429 41.7167 180.0253 104 V 3.8528 7.4360 119.5790 65.5354 31.2687 178.0769 105 R 4.1058 8.1843 117.8115 58.9699 29.9921 177.3243 106 Q 4.2458 7.6517 116.7956 55.3289 29.4243 175.6599 107 G 3.8918 7.9148 107.1552 47.5060 0.0000 174.7112 108 L 4.4782 7.7359 117.3846 54.1699 42.2718 176.3835 109 A 4.7588 7.4677 119.9256 50.5966 22.8858 175.3350 110 K 4.7960 8.5514 119.3729 54.3535 35.3631 176.0980 111 V 4.3312 9.3119 123.7557 63.2781 32.2930 175.0262 112 A 4.2218 9.1113 127.7781 50.9336 23.3748 174.9103 113 Y 3.3673 7.5135 113.5432 58.9119 35.3228 172.9851 114 V 3.7331 7.2950 119.1730 62.3232 31.1073 173.7130 115 Y 4.9561 7.8962 124.9505 55.4469 39.8974 175.9942 116 K 4.2187 8.7706 124.3165 58.0307 32.7074 175.8430 117 G 4.2955 9.3938 111.5785 45.7822 0.0000 173.6446 118 N 5.3516 8.0787 116.4222 53.0976 39.4679 174.1019 119 N 5.2305 8.0138 110.6284 52.7426 38.5974 176.5157 120 T 3.8532 8.5462 118.1012 67.9302 68.7667 174.9891 121 H 4.8492 7.9044 116.7307 55.7714 29.1591 176.6719 122 E 3.9561 8.4386 122.9805 59.8114 29.3762 178.9327 123 Q 3.9703 8.0482 117.4092 58.7418 28.9064 178.3156 124 L 3.9497 7.8765 120.8934 58.2577 42.1377 178.9773 125 L 4.0483 7.9854 118.8999 57.8583 41.5359 179.7198 126 R 3.9057 8.3150 118.3149 58.8738 30.0135 179.0459 127 K 3.8781 8.1927 119.4699 59.4051 32.2129 178.7895 128 A 3.9952 7.7896 120.6564 55.0193 18.1862 179.2638 129 E 3.8713 8.4514 117.8134 59.3310 29.6637 178.7888 130 A 3.7432 8.0143 120.9164 55.1971 18.3958 179.4629 131 Q 3.7946 7.9250 117.2887 59.1788 29.1624 178.1781 132 A 4.0202 7.9725 121.9302 54.9196 18.3757 179.5861 133 K 3.4192 7.9638 118.5462 59.3293 31.9587 179.0149 134 K 3.8685 7.8761 118.9366 59.1521 32.1708 177.6486 135 E 4.2708 8.1042 115.9053 55.1315 30.2495 176.1516 136 K 4.1157 7.7813 117.2751 56.0124 30.5220 175.3386 137 L 4.3365 8.1994 118.0705 55.3233 44.5664 178.5778 138 N 3.4858 9.4558 118.9809 54.0839 38.2305 176.1560 139 I 3.0798 4.0000 125.1555 64.5298 38.1305 176.8367 140 W 4.8295 7.8614 118.4045 56.5533 29.2789 176.6492 141 S 4.4450 8.1937 119.8611 58.5879 62.5440 173.9655 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 6 K 8.31 4.33 0.00 1.91 1.91 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.51 7.81 7 L 8.26 4.29 0.00 1.79 1.89 1.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 8 H 9.13 5.06 0.00 3.15 3.23 0.00 5.52 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 9 K 8.64 4.56 0.00 1.57 1.74 0.00 1.38 0.00 0.00 1.25 0.00 0.00 2.13 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.04 1.25 7.81 10 E 9.08 4.89 0.00 2.08 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 2.38 2.31 0.00 11 P 0.00 4.95 0.00 1.96 2.00 0.00 3.74 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 2.04 2.11 0.00 12 A 8.51 4.89 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 13 T 8.59 4.62 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 14 L 8.58 4.24 0.00 1.63 1.57 0.95 1.02 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 15 I 8.36 4.33 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.85 0.93 0.00 0.00 16 K 7.50 4.36 0.00 1.78 1.59 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.33 1.36 7.81 17 A 8.77 4.53 1.26 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 0.00 0.00 0.00 18 I 8.37 4.15 2.06 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 1.48 0.90 0.89 0.00 0.00 19 D 7.29 4.64 0.00 2.84 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 20 G 9.38 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 0.00 0.00 0.00 21 D 8.30 5.03 0.00 2.75 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 22 T 8.23 5.16 4.37 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 1.26 0.00 0.00 23 V 8.97 4.82 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 0.84 0.00 0.00 0.96 0.00 0.00 24 K 9.28 5.04 0.00 1.79 1.78 0.00 1.61 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.42 7.81 25 L 9.31 5.25 0.00 1.59 1.49 0.35 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.35 4.91 0.00 2.15 2.01 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 2.57 2.54 0.00 27 Y 9.02 4.97 0.00 3.31 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 28 K 9.18 3.44 0.00 1.48 1.64 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.03 0.36 7.81 29 G 8.34 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 30 Q 7.78 4.81 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.94 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 31 P 0.00 4.90 0.00 2.12 2.12 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 32 M 9.63 4.98 0.00 1.73 2.19 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.54 0.00 33 T 8.36 4.95 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 1.22 0.00 0.00 34 F 9.82 5.10 0.00 3.03 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 35 R 9.04 5.00 0.00 1.83 1.73 0.00 3.35 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 36 L 8.69 4.43 0.00 1.58 1.60 0.94 1.21 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 37 L 8.57 3.96 0.00 0.91 1.28 0.33 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.72 4.21 0.00 1.98 1.80 1.15 1.13 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 39 V 7.37 5.09 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 1.02 0.00 0.00 40 D 8.95 4.86 0.00 2.89 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.06 4.76 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 1.25 0.00 0.00 42 P 0.00 4.49 0.00 2.03 2.01 0.00 3.67 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 2.10 2.06 0.00 43 E 9.44 4.03 0.00 1.87 2.05 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 2.45 2.42 0.00 *50 F 8.62 4.75 0.00 2.99 3.14 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 0.00 51 N 8.24 4.58 0.00 2.89 2.99 0.00 0.00 5.89 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 52 E 8.18 4.55 0.00 2.04 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 2.21 2.20 0.00 53 K 8.21 3.77 0.00 1.60 1.69 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.65 1.12 7.81 54 Y 7.73 4.17 0.00 3.16 2.98 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 55 G 8.15 3.51 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 0.00 0.00 0.00 56 P 0.00 4.14 0.00 1.93 1.73 0.00 3.33 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.93 0.00 57 E 8.07 4.00 0.00 2.34 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 2.55 2.50 0.00 58 A 8.26 4.07 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 59 S 8.40 4.12 0.00 4.31 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 0.00 60 A 8.33 4.13 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 61 F 8.46 3.95 0.00 3.33 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 0.00 62 T 8.23 3.97 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 1.30 0.00 0.00 63 K 8.31 3.87 0.00 1.96 2.01 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.50 7.81 64 K 8.11 3.87 0.00 1.97 1.69 0.00 1.67 0.00 0.00 1.52 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.55 7.81 65 M 7.61 3.87 0.00 2.01 1.80 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 66 V 8.02 3.83 2.06 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 0.90 0.00 0.00 1.02 0.00 0.00 67 E 8.23 4.09 0.00 2.02 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 2.34 2.39 0.00 68 N 8.01 4.54 0.00 2.80 2.83 0.00 0.00 7.01 7.36 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 69 A 7.23 4.38 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 70 K 9.23 4.21 0.00 1.94 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.53 7.81 71 K 8.66 4.73 0.00 1.65 1.66 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.38 7.81 72 I 8.36 5.02 2.04 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 1.33 1.00 0.86 0.00 0.00 73 E 9.27 5.19 0.00 1.93 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 2.21 2.26 0.00 74 V 8.89 4.71 1.42 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 0.05 0.00 0.00 0.66 0.00 0.00 75 E 8.96 4.91 0.00 2.21 2.31 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 2.45 2.53 0.00 76 F 8.76 4.60 0.00 3.04 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 77 D 8.47 4.98 0.00 2.75 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 78 K 9.14 4.32 0.00 1.95 1.90 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.46 7.81 79 G 7.85 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 0.00 0.00 0.00 0.00 80 Q 8.73 3.98 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 81 R 8.50 4.53 0.00 1.59 1.41 0.00 2.68 0.00 0.00 2.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 82 T 7.37 5.02 4.17 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 1.12 0.00 0.00 83 D 8.54 4.74 0.00 2.91 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 84 K 8.30 3.83 0.00 1.54 1.77 0.00 1.23 0.00 0.00 1.50 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.05 0.30 7.81 85 Y 7.99 4.30 0.00 3.09 2.98 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 86 G 8.21 3.90 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 0.00 0.00 0.00 87 R 8.29 4.36 0.00 2.04 1.79 0.00 3.10 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 88 G 8.43 3.29 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 0.00 0.00 0.00 0.00 89 L 9.00 5.28 0.00 1.54 1.61 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.17 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.61 4.84 0.00 3.01 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 92 K 8.88 4.86 0.00 1.72 1.54 0.00 1.45 0.00 0.00 1.59 0.00 0.00 2.76 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.27 7.81 93 Y 9.26 5.16 0.00 2.81 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 94 A 9.16 4.88 1.21 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 0.00 0.00 0.00 95 D 9.87 4.27 0.00 2.81 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 96 G 8.56 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 97 K 7.80 4.47 0.00 1.97 1.78 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.53 7.81 98 M 8.53 4.05 0.00 1.90 1.59 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.49 0.00 99 V 8.65 3.65 2.05 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 1.05 0.00 0.00 0.96 0.00 0.00 100 N 8.05 4.31 0.00 2.90 2.94 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 0.00 101 E 8.08 3.91 0.00 1.98 2.05 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 2.37 2.36 0.00 102 A 8.12 4.06 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 L 8.03 3.40 0.00 1.82 1.61 1.04 0.61 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 V 7.44 3.85 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 1.35 0.00 0.00 0.98 0.00 0.00 105 R 8.18 4.11 0.00 1.86 2.13 0.00 3.35 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 106 Q 7.65 4.25 0.00 1.94 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.34 0.00 0.00 0.00 0.00 0.00 2.07 2.28 0.00 107 G 7.91 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 0.00 108 L 7.74 4.48 0.00 1.28 1.51 0.58 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.47 4.76 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 0.00 110 K 8.55 4.80 0.00 1.71 1.78 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.13 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.31 1.12 7.81 111 V 9.31 4.33 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 0.75 0.00 0.00 1.00 0.00 0.00 112 A 9.11 4.22 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 7.51 3.37 0.00 3.02 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 0.00 114 V 7.30 3.73 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 0.79 0.00 0.00 0.91 0.00 0.00 115 Y 7.90 4.96 0.00 3.14 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 0.00 116 K 8.77 4.22 0.00 1.81 1.82 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.45 7.81 117 G 9.39 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 0.00 118 N 8.08 5.35 0.00 2.82 2.85 0.00 0.00 6.79 8.15 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 0.00 119 N 8.01 5.23 0.00 2.87 3.15 0.00 0.00 6.09 7.22 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 0.00 120 T 8.55 3.85 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 1.04 0.00 0.00 121 H 7.90 4.85 0.00 2.86 3.10 0.00 5.63 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 0.00 122 E 8.44 3.96 0.00 2.17 1.98 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 2.32 2.38 0.00 123 Q 8.05 3.97 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 124 L 7.88 3.95 0.00 1.74 1.83 0.95 0.55 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 0.00 125 L 7.99 4.05 0.00 1.91 1.73 1.05 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.32 3.91 0.00 1.83 1.94 0.00 3.11 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 127 K 8.19 3.88 0.00 1.87 1.99 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.43 7.81 128 A 7.79 4.00 1.40 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 0.00 129 E 8.45 3.87 0.00 2.07 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 2.03 2.51 0.00 130 A 8.01 3.74 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 0.00 131 Q 7.92 3.79 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 132 A 7.97 4.02 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 0.00 133 K 7.96 3.42 0.00 0.84 1.50 0.00 1.20 0.00 0.00 1.14 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.07 0.65 7.81 134 K 7.88 3.87 0.00 1.80 1.92 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.43 7.81 135 E 8.10 4.27 0.00 1.99 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 2.31 2.48 0.00 136 K 7.78 4.12 0.00 1.89 1.90 0.00 1.67 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.36 7.81 137 L 8.20 4.34 0.00 1.79 1.68 0.94 0.63 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 0.00 138 N 9.46 3.49 0.00 2.53 1.42 0.00 0.00 7.13 7.56 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 0.00 139 I 4.00 3.08 0.89 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 0.90 -0.07 -0.19 0.00 0.00 140 W 7.86 4.83 0.00 3.42 3.10 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 0.00 141 S 8.19 4.45 0.00 3.97 3.96 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 * Residues marked with a * may have inaccurate shift predictions.