NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.1100 8.4145 121.7764 55.6262 33.5082 175.9898 7 K 3.7987 8.0381 129.5213 54.3025 32.9572 171.5748 8 K 5.2197 8.6383 124.0375 54.1263 36.5858 174.0664 9 L 5.4227 9.3817 128.5131 53.4675 45.3189 175.1017 10 S 5.4818 9.3448 121.8565 56.8928 66.7667 173.0804 11 I 5.0729 9.1563 124.2276 59.6631 41.0765 174.5878 12 I 4.2624 8.9049 128.6728 60.5389 38.2645 175.3733 13 V 3.9745 8.3060 129.9847 61.8165 30.1287 175.7656 14 F 4.3955 8.0264 129.2659 60.1151 40.6992 175.9087 15 S 4.4565 8.3611 113.5941 58.4166 63.2681 174.0798 16 G 4.1023 8.4114 109.0918 44.8066 0.0000 173.5133 17 T 4.3896 7.4936 110.8247 60.6033 69.9969 175.4163 18 I 3.6726 8.6115 123.3211 64.2577 37.8231 178.0570 19 D 4.4645 8.0823 118.4514 55.5875 39.1090 177.6363 20 K 4.3111 7.3208 119.0180 57.7239 32.8899 178.4594 21 L 3.6028 7.6637 120.3959 54.0527 41.5305 177.4717 *23 P 4.3489 0.0000 0.0000 62.6576 33.7565 179.3869 24 V 3.6560 7.6441 116.8219 66.0146 31.2789 178.3266 25 G 3.7856 8.2668 105.3583 47.9716 0.0000 175.7470 26 I 3.8206 7.7939 121.9515 64.0637 37.1676 178.3896 27 L 3.9624 8.4818 120.1560 58.0769 41.3847 179.7512 28 T 3.8701 8.1446 115.7704 66.6216 68.3986 176.7303 29 S 4.1567 8.4668 115.4433 61.3582 62.4956 176.4473 30 G 3.5513 8.2970 108.3210 47.7003 0.0000 175.5501 31 A 3.7225 8.2721 123.4908 54.6699 18.3718 179.5700 32 A 3.9765 8.2804 119.2448 55.3758 18.2637 179.7478 33 A 4.0304 7.9762 118.1321 55.2473 18.5466 179.3166 34 S 4.4518 7.9861 111.2011 59.2881 63.1020 175.3127 35 G 3.9975 7.9836 110.4624 45.2488 0.0000 173.4718 36 Y 4.3471 8.0508 116.8802 57.6386 38.9207 174.9990 37 E 4.5164 9.1770 123.9359 55.7120 31.2506 175.2202 38 V 5.0395 9.1163 127.1613 61.2012 34.6241 173.6616 39 N 5.7079 9.4886 125.3744 51.6540 41.5186 173.2944 40 L 5.2404 9.4681 124.3679 52.9524 44.9273 175.4684 41 F 5.2830 8.8436 125.8334 56.3661 41.4289 173.4612 42 F 4.6792 9.2490 126.6544 56.9419 40.0879 175.1552 43 T 4.5959 8.3871 117.5701 59.8577 71.7844 178.1830 44 F 3.2401 8.7666 125.2254 57.9346 39.6713 179.5757 45 W 4.4942 6.7035 132.6698 60.3759 28.2677 177.6069 46 G 3.6601 7.7255 105.4822 47.5863 0.0000 175.2615 47 L 4.1509 7.7633 122.2860 57.9495 42.2182 178.5692 48 Q 3.8665 7.9450 119.0297 59.1903 28.7291 178.2697 49 A 4.2985 8.0614 121.6896 53.5122 18.5538 178.5282 50 I 4.2181 7.3862 110.8962 60.3119 38.2366 175.4543 51 T 4.3790 7.1462 111.6266 61.4761 70.9304 175.5277 52 K 3.7776 8.7604 123.6556 59.8524 31.8787 179.9169 53 R 3.8944 7.7972 116.8402 59.2934 30.4375 178.6085 54 S 4.2358 7.9464 112.5136 61.3923 62.2104 176.1883 55 L 4.0779 7.8789 120.7024 57.4572 41.4378 178.4070 56 N 4.5791 7.9885 113.6959 52.6386 39.2672 175.5701 57 S 4.1282 7.2517 118.1266 59.3720 62.8742 174.7738 58 Q 4.2488 8.6543 126.6088 56.7988 28.5804 175.7167 59 Q 4.2467 7.7831 115.6721 54.5442 28.6555 180.0709 60 P 4.4369 0.0000 0.0000 61.1930 31.8895 174.3568 61 P 4.3940 0.0000 0.0000 64.3780 31.9599 175.9559 62 Q 4.4945 8.5889 121.8587 54.7207 29.4870 174.9670 63 I 4.4669 8.2786 125.4887 58.9802 38.9531 175.5843 64 D 4.3477 8.8966 124.6689 54.5942 41.4246 177.8637 65 K 4.0017 8.7141 125.8332 59.5132 32.2367 178.0104 66 N 4.2347 8.7561 115.7037 55.4170 38.3514 174.9831 67 Y 4.9416 7.4705 115.5317 57.3817 39.2571 176.7478 68 E 4.0977 8.9051 123.4676 60.5995 29.5506 180.9280 69 Q 4.0105 8.1351 114.0228 55.4707 27.7532 179.8410 *71 G 4.1068 8.1153 107.7814 45.8896 0.0000 173.1559 72 P 4.3101 0.0000 0.0000 65.3049 31.8892 176.3839 73 I 3.7627 7.6331 120.6336 61.2143 36.6046 175.9917 *76 Q 4.1907 7.8665 124.2984 56.1638 30.9599 177.1110 77 K 4.2159 7.7585 116.7194 56.7316 31.6144 177.4887 *79 Q 4.3946 8.1121 117.1842 55.7534 30.2405 176.3927 80 E 4.0741 8.0491 115.9511 56.7109 28.8484 176.8482 *82 K 4.1705 7.8028 114.1753 55.6938 33.4495 175.6718 83 Y 4.1504 8.0966 119.6224 56.6912 40.4397 174.4829 84 P 4.7140 0.0000 0.0000 61.6251 31.1657 177.7173 *86 W 5.0717 8.7514 120.8633 57.7048 29.8892 177.3569 87 H 3.4904 6.2290 114.6324 57.8888 27.7627 177.5155 88 Q 3.8120 7.3538 120.4277 58.5658 28.5945 178.2851 89 L 3.8944 7.6693 119.6321 57.6604 41.7074 179.5985 90 V 3.5211 7.6068 118.0679 66.0283 31.3707 177.9002 91 Q 3.7092 7.8035 119.3211 59.1942 28.8813 178.1513 92 Q 3.9276 8.3312 119.2354 58.8487 28.7317 178.5874 93 A 4.0060 8.0531 121.7804 55.1322 18.1638 179.7945 94 K 4.0418 7.8398 118.5627 60.2644 32.1558 179.7665 95 E 4.1402 7.6404 117.8188 61.0666 29.7296 181.0520 96 I 4.3187 7.7697 119.9610 64.8141 37.7938 175.7053 97 G 4.0529 8.6640 107.1933 44.4841 0.0000 171.7153 98 E 4.4425 8.6061 119.6981 54.6798 29.5542 174.9565 99 V 4.9847 8.0947 123.8686 60.5219 34.4196 174.1879 100 K 4.7479 9.1962 127.1811 54.5023 35.3906 175.0628 101 V 4.8920 9.1781 124.9157 61.2756 33.7110 174.3041 102 F 5.7223 9.9365 126.4376 55.7632 42.5903 174.0556 103 A 5.1763 8.9578 123.5643 50.1634 20.6682 175.4103 104 C 4.8166 8.5812 123.5766 59.0039 31.8702 174.8315 105 S 4.3272 8.9779 122.3175 61.6453 63.3102 176.1008 106 T 3.7365 7.8962 117.4997 66.7894 68.4507 178.4925 107 T 2.8709 6.5563 116.6321 62.9254 68.0090 176.4878 *109 E 4.2516 8.4202 121.6597 56.5968 31.5238 178.4095 110 F 4.2051 7.7164 115.8644 60.3615 38.8415 176.3376 111 F 4.8721 8.1524 115.8805 56.4458 39.0068 175.7550 112 G 3.9929 7.6423 108.2201 46.5695 0.0000 173.9476 113 I 4.3250 8.0027 121.6949 60.2040 38.7912 176.5846 114 K 4.6260 8.9043 126.3867 52.2937 34.4761 174.7537 115 R 3.9683 8.5756 118.6556 60.3006 29.9688 178.6337 116 E 4.0614 8.0354 114.0444 58.7939 29.8828 177.3908 117 D 4.4621 8.0890 119.0729 55.5964 41.3125 176.2419 118 L 4.5886 7.3520 118.8660 52.9327 43.0514 176.4877 119 A 3.8365 7.9687 124.1215 52.2412 18.6955 179.0339 120 E 3.9248 8.4727 120.3637 59.3014 29.6320 178.4581 121 F 4.4769 7.5495 110.9911 57.5168 38.2641 175.3682 122 V 3.8556 7.2853 123.0477 63.1744 31.7242 175.3129 123 D 4.6249 9.0216 128.0723 57.0465 41.6190 176.0557 124 D 4.6314 7.7846 114.7808 53.5256 44.8849 174.2561 125 V 4.9296 8.5212 122.6192 61.5257 33.1352 175.0898 126 V 4.6407 9.2584 120.4264 60.0053 36.9274 174.6563 127 G 4.1994 8.4372 109.2539 45.1453 0.0000 175.0921 128 V 3.4744 8.6735 118.1743 66.2004 31.2954 177.6582 129 A 3.9386 7.9612 119.5904 55.5325 18.1938 179.5398 130 T 3.7242 7.7241 113.7092 66.6762 68.4630 176.5387 131 F 3.6088 7.6048 122.3828 60.8340 39.4226 177.0941 132 L 3.8906 7.9803 118.8434 58.0425 41.2102 179.3279 133 D 4.2849 7.7857 117.3982 57.4769 40.8224 178.8417 134 R 3.8977 7.4640 117.2694 58.8888 30.2745 178.6006 135 A 4.2259 7.8717 121.9652 52.3582 18.3432 177.0911 136 E 3.8866 7.1230 117.8462 58.3371 29.8236 177.4120 137 G 3.9359 9.2537 114.5540 44.8797 0.0000 172.1725 138 G 4.3852 7.3920 105.9410 44.3693 0.0000 172.6151 139 T 4.4635 8.4515 116.4321 63.6779 69.6163 174.5692 140 T 5.2678 8.5164 121.6707 61.8624 72.1612 173.2492 141 L 4.9671 9.0237 124.8592 52.8395 46.1211 175.2366 142 F 5.0791 8.9763 124.0796 56.6484 41.3634 175.1380 143 I 4.2046 8.1450 126.5311 61.3826 37.4916 175.7055 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 8.41 4.11 0.00 1.68 1.74 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.24 1.35 7.81 7 K 8.04 3.80 0.00 1.57 1.67 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.76 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.44 1.07 7.81 8 K 8.64 5.22 0.00 1.76 1.62 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.75 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.60 7.81 9 L 9.38 5.42 0.00 1.80 1.54 0.98 0.90 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 10 S 9.34 5.48 0.00 3.82 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.16 5.07 1.87 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 1.27 0.91 0.84 0.00 0.00 12 I 8.90 4.26 1.94 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.84 0.98 0.00 0.00 13 V 8.31 3.97 1.10 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 0.61 0.00 0.00 0.27 0.00 0.00 14 F 8.03 4.40 0.00 2.57 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 15 S 8.36 4.46 0.00 3.92 3.83 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 16 G 8.41 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 0.00 0.00 0.00 0.00 17 T 7.49 4.39 4.45 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 18 I 8.61 3.67 1.93 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 1.67 1.26 0.95 0.00 0.00 19 D 8.08 4.46 0.00 2.84 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 7.32 4.31 0.00 1.84 1.84 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.48 7.81 21 L 7.66 3.60 0.00 1.16 0.13 0.46 0.07 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 *23 P 0.00 4.35 0.00 2.18 2.12 0.00 3.61 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 2.03 2.05 0.00 24 V 7.64 3.66 2.21 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 1.09 0.00 0.00 0.87 0.00 0.00 25 G 8.27 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.79 3.82 1.92 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 1.85 0.72 0.96 0.00 0.00 27 L 8.48 3.96 0.00 1.71 1.69 0.92 0.69 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 28 T 8.14 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 1.26 0.00 0.00 29 S 8.47 4.16 0.00 3.93 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 30 G 8.30 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 31 A 8.27 3.72 1.14 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 0.00 0.00 32 A 8.28 3.98 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 33 A 7.98 4.03 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 34 S 7.99 4.45 0.00 4.25 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 35 G 7.98 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 36 Y 8.05 4.35 0.00 2.93 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 37 E 9.18 4.52 0.00 2.06 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 2.35 2.31 0.00 38 V 9.12 5.04 2.17 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 1.15 0.00 0.00 1.01 0.00 0.00 39 N 9.49 5.71 0.00 2.76 3.08 0.00 0.00 6.48 6.51 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 40 L 9.47 5.24 0.00 1.85 1.46 1.16 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.84 5.28 0.00 1.51 1.84 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 42 F 9.25 4.68 0.00 3.10 2.91 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 43 T 8.39 4.60 3.62 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 1.35 0.00 0.00 44 F 8.77 3.24 0.00 2.68 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 W 6.70 4.49 0.00 3.38 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 46 G 7.73 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 47 L 7.76 4.15 0.00 1.85 1.81 0.93 0.51 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 48 Q 7.95 3.87 0.00 2.02 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 49 A 8.06 4.30 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 50 I 7.39 4.22 1.42 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.50 0.43 0.00 0.00 51 T 7.15 4.38 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 1.25 0.00 0.00 52 K 8.76 3.78 0.00 1.72 1.84 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.34 1.49 7.81 53 R 7.80 3.89 0.00 1.75 1.97 0.00 3.19 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 54 S 7.95 4.24 0.00 3.95 4.04 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 55 L 7.88 4.08 0.00 1.54 1.55 0.68 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.99 4.58 0.00 2.73 2.83 0.00 0.00 6.97 7.08 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 57 S 7.25 4.13 0.00 3.92 3.91 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 58 Q 8.65 4.25 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.70 0.00 0.00 0.00 0.00 0.00 2.25 1.92 0.00 59 Q 7.78 4.25 0.00 2.08 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.17 0.00 60 P 0.00 4.44 0.00 2.18 2.10 0.00 3.76 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 1.99 1.96 0.00 61 P 0.00 4.39 0.00 2.15 2.22 0.00 3.79 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 2.04 2.07 0.00 62 Q 8.59 4.49 0.00 1.76 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.04 0.00 0.00 0.00 0.00 0.00 2.31 1.95 0.00 63 I 8.28 4.47 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.27 0.98 0.00 0.00 64 D 8.90 4.35 0.00 3.05 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 65 K 8.71 4.00 0.00 1.70 1.81 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.41 7.81 66 N 8.76 4.23 0.00 1.88 1.92 0.00 0.00 6.77 7.43 0.00 0.00 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 Y 7.47 4.94 0.00 2.92 2.85 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 0.00 0.00 0.00 68 E 8.91 4.10 0.00 1.95 2.03 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 2.31 2.38 0.00 69 Q 8.14 4.01 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.29 1.95 0.00 *71 G 8.12 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 0.00 0.00 0.00 72 P 0.00 4.31 0.00 2.19 2.22 0.00 3.90 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 2.00 2.02 0.00 73 I 7.63 3.76 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.58 0.90 0.00 0.00 *76 Q 7.87 4.19 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.23 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 77 K 7.76 4.22 0.00 1.97 1.75 0.00 1.87 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.54 7.81 *79 Q 8.11 4.39 0.00 2.25 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.45 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 80 E 8.05 4.07 0.00 2.14 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 0.00 2.33 2.29 0.00 *82 K 7.80 4.17 0.00 1.82 1.86 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.45 7.81 83 Y 8.10 4.15 0.00 2.91 2.91 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 84 P 0.00 4.71 0.00 1.91 1.40 0.00 2.51 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 *86 W 8.75 5.07 0.00 3.84 3.48 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 87 H 6.23 3.49 0.00 2.97 1.85 0.00 5.65 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 7.35 3.81 0.00 1.93 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.94 0.00 0.00 0.00 0.00 0.00 2.31 2.10 0.00 89 L 7.67 3.89 0.00 1.94 1.86 1.04 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.61 3.52 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 0.77 0.00 0.00 1.24 0.00 0.00 91 Q 7.80 3.71 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 92 Q 8.33 3.93 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 93 A 8.05 4.01 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 94 K 7.84 4.04 0.00 1.89 1.87 0.00 1.63 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.60 1.56 7.81 95 E 7.64 4.14 0.00 2.01 1.86 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 2.26 2.22 0.00 96 I 7.77 4.32 1.86 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 1.45 0.81 0.92 0.00 0.00 97 G 8.66 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 98 E 8.61 4.44 0.00 2.09 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 2.35 2.32 0.00 99 V 8.09 4.98 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 0.93 0.00 0.00 0.97 0.00 0.00 100 K 9.20 4.75 0.00 1.71 1.09 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.56 7.81 101 V 9.18 4.89 2.43 0.00 0.00 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 0.00 0.00 1.08 0.00 0.00 102 F 9.94 5.72 0.00 3.42 3.19 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 0.00 103 A 8.96 5.18 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 0.00 104 C 8.58 4.82 0.00 1.84 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 0.00 105 S 8.98 4.33 0.00 4.02 4.01 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 0.00 106 T 7.90 3.74 3.91 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 0.52 0.00 0.00 107 T 6.56 2.87 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 0.89 0.00 0.00 *109 E 8.42 4.25 0.00 2.12 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 0.00 2.27 2.47 0.00 110 F 7.72 4.21 0.00 2.30 2.34 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 0.00 111 F 8.15 4.87 0.00 2.99 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 0.00 112 G 7.64 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 0.00 113 I 8.00 4.33 1.88 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 1.30 0.72 0.89 0.00 0.00 114 K 8.90 4.63 0.00 1.64 1.66 0.00 1.83 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.21 7.81 115 R 8.58 3.97 0.00 1.87 1.96 0.00 3.18 0.00 0.00 3.40 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 116 E 8.04 4.06 0.00 2.09 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 2.25 2.26 0.00 117 D 8.09 4.46 0.00 2.83 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 0.00 118 L 7.35 4.59 0.00 1.68 1.42 0.88 0.50 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 0.00 119 A 7.97 3.84 0.39 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 0.00 120 E 8.47 3.92 0.00 1.94 2.01 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 2.24 2.21 0.00 121 F 7.55 4.48 0.00 2.94 3.26 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 0.00 122 V 7.29 3.86 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 0.69 0.00 0.00 123 D 9.02 4.62 0.00 2.44 2.61 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 0.00 124 D 7.78 4.63 0.00 2.92 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 0.00 125 V 8.52 4.93 2.14 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 0.91 0.00 0.00 0.97 0.00 0.00 126 V 9.26 4.64 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 0.81 0.00 0.00 0.96 0.00 0.00 127 G 8.44 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 0.00 128 V 8.67 3.47 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 1.12 0.00 0.00 1.04 0.00 0.00 129 A 7.96 3.94 1.29 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 0.00 130 T 7.72 3.72 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 1.06 0.00 0.00 131 F 7.60 3.61 0.00 2.19 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.98 3.89 0.00 1.88 1.65 0.99 0.98 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 0.00 133 D 7.79 4.28 0.00 2.69 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 0.00 134 R 7.46 3.90 0.00 1.34 1.72 0.00 3.14 0.00 0.00 2.87 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 135 A 7.87 4.23 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 0.00 136 E 7.12 3.89 0.00 2.05 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 2.30 2.30 0.00 137 G 9.25 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 0.00 0.00 0.00 138 G 7.39 4.39 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 0.00 139 T 8.45 4.46 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 1.26 0.00 0.00 140 T 8.52 5.27 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 1.39 0.00 0.00 141 L 9.02 4.97 0.00 1.62 1.56 0.94 0.61 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 0.00 142 F 8.98 5.08 0.00 3.04 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 0.00 143 I 8.15 4.20 1.75 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 1.09 0.54 0.87 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.