NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5044 8.3349 115.4177 58.4912 63.7898 172.3400 3 N 4.6216 8.1804 123.1392 51.9758 41.7240 171.0563 4 T 4.7825 7.8067 112.8840 61.6875 71.6837 172.7741 5 L 4.5054 8.6497 121.6262 56.0107 45.2950 173.7545 6 F 4.9589 7.2814 120.7942 57.2240 43.5014 172.1058 7 D 5.6338 6.2813 122.5117 54.3939 43.9198 175.0019 8 D 4.3334 7.4533 123.5529 54.1728 45.4823 173.4870 9 I 5.2373 9.1623 119.1385 59.8014 40.8089 175.1596 10 F 5.3751 10.0997 125.6624 55.9156 42.9208 173.9039 11 Q 4.7689 9.3542 122.5270 54.5734 31.1678 174.4837 12 V 4.3170 8.2081 127.5381 62.1075 31.9667 176.6060 13 S 4.4117 9.2707 125.7974 61.1266 63.5805 174.8874 14 E 4.6884 7.5524 115.1233 55.4858 33.7714 175.1771 15 V 4.6226 8.5690 123.7730 61.1810 33.8822 173.6488 16 D 4.7771 8.6119 129.2030 52.4559 42.4492 174.7627 17 P 4.8544 0.0000 0.0000 62.3830 31.7470 173.9097 18 G 3.9584 7.7082 108.7467 48.8439 0.0000 171.9076 19 R 4.3883 8.7507 126.4985 56.1439 27.7272 177.0492 20 Y 4.6590 6.3029 112.3434 58.1577 38.4830 175.1645 21 N 4.8959 8.7723 117.3262 53.6716 40.8148 175.8769 22 K 4.5823 8.0051 114.9611 56.1023 33.7387 176.1020 23 V 4.9476 7.6352 119.1195 61.5490 34.9218 174.0866 24 C 4.9446 8.9085 122.0009 58.5877 33.4084 173.2190 25 R 4.9475 8.9549 122.7172 54.8861 31.1408 175.0621 26 I 4.3003 8.8866 129.4116 61.1465 38.7213 175.1637 27 E 4.6610 10.0346 130.2333 54.9189 29.9623 174.2016 28 A 5.3098 8.4073 128.1639 50.4077 21.8895 175.6795 29 A 4.9722 9.3625 122.8064 50.5485 21.7661 176.3906 30 S 4.4657 8.6808 115.1410 57.2680 63.2068 173.8983 31 T 3.9730 8.1841 118.0559 64.4443 69.2463 172.1287 32 T 3.6091 9.0522 123.2502 62.9722 63.8247 174.3577 33 Q 4.2194 9.3738 131.7146 55.9067 29.6793 176.3131 34 D 4.5166 8.9309 124.1657 57.2101 41.1390 178.1121 35 Q 4.1939 7.5946 114.8087 58.4938 29.5820 175.5929 36 C 4.7120 8.0483 121.4345 58.0397 32.5921 171.5177 37 K 5.0983 8.9030 127.0195 54.4896 35.5927 173.9739 38 L 4.8370 8.6236 127.1752 53.5345 44.5540 175.0831 39 T 4.8873 8.1756 122.7259 61.8151 72.0086 172.8690 40 L 4.8283 9.1114 125.2223 54.3673 46.3260 172.9598 41 D 5.2719 8.6978 125.5150 54.0978 41.8516 176.1039 42 I 4.7574 9.0686 123.3721 59.4176 42.0770 174.3090 43 N 4.6499 9.0881 124.3429 53.9788 38.3431 175.2949 44 V 4.0013 9.0999 126.4670 63.4692 32.0895 177.0330 45 E 4.2200 8.6455 120.0133 58.6271 30.2064 176.6058 46 L 4.3021 8.1938 115.2033 54.9769 42.0527 176.8746 47 F 4.7456 6.9918 120.9665 57.2487 41.6365 171.2031 48 P 4.5433 0.0000 0.0000 61.7046 32.3258 176.8576 49 V 4.1847 7.7792 116.4860 61.8272 34.2545 172.6407 50 A 4.7493 8.2470 128.8717 49.6318 21.8268 175.9760 51 A 4.0233 8.3716 121.9452 53.1774 18.9075 176.9657 52 Q 3.2337 8.5646 116.5523 57.1010 29.0964 173.7332 53 D 4.4630 7.3792 117.7867 54.6278 41.7304 175.0926 54 S 4.8708 8.0311 113.5104 57.8378 66.4744 173.4230 55 L 4.8147 9.4733 119.6331 53.5197 45.8485 176.0815 56 T 4.6239 8.7221 121.0631 62.9286 69.9632 174.2960 57 V 4.7721 8.8046 128.0568 61.6437 32.9857 174.1139 58 T 5.6999 8.4043 124.8408 60.9143 71.2913 174.2569 59 I 4.3602 8.6755 126.9584 61.4664 39.1065 174.5940 60 A 5.0519 8.2272 124.5997 52.0241 22.7756 176.9944 61 S 4.8711 8.7150 109.9252 58.0297 66.7738 174.1829 62 S 4.4842 8.2931 113.6526 58.7316 64.4400 176.4360 63 L 3.5201 8.3309 115.8452 55.0990 39.5834 176.2808 *76 T 4.1983 7.8327 115.7623 62.1217 70.3412 171.6012 77 R 3.8388 8.1447 125.5192 55.2203 30.2149 177.8031 78 S 4.6007 8.4816 113.3781 58.2850 62.3662 173.1780 79 W 5.2859 8.5903 130.2115 56.8757 33.9432 175.2792 80 R 4.7238 6.9096 118.3948 53.9881 34.6446 175.1502 81 P 4.0844 0.0000 0.0000 61.3696 31.2564 177.6710 82 P 4.5799 0.0000 0.0000 62.5848 28.9336 174.4851 83 Q 4.3252 8.3998 114.1527 55.7696 27.3483 174.1442 84 A 4.0380 7.8499 119.5388 55.6975 18.9853 178.5782 85 G 4.3847 7.7357 104.4122 44.2865 0.0000 171.1808 86 D 4.4807 7.3527 123.6425 53.7789 43.7459 177.9733 87 R 4.2778 8.0533 115.3861 58.1168 32.2665 178.1308 88 S 4.4748 8.0623 110.9473 58.9563 62.5159 176.3916 89 L 4.3076 7.7891 121.4999 54.7886 38.5411 178.0779 90 A 4.1649 8.0502 117.6449 52.5889 18.4457 176.9454 91 D 5.2190 8.9936 119.4597 52.8813 40.8144 176.3193 92 D 4.9705 9.0389 125.6145 54.3164 41.5944 175.3838 93 Y 4.8876 7.8540 114.7958 56.3064 40.7449 175.7790 94 D 4.7500 9.0639 120.6815 56.9842 41.9838 177.1366 95 Y 4.5025 7.7897 119.6876 56.0475 42.0350 174.0958 96 V 4.9193 8.0871 126.0323 61.9303 34.7355 174.2571 97 M 4.5970 9.1818 127.5096 53.9450 35.0868 174.2294 98 Y 5.0392 8.4248 119.8742 56.6269 42.2556 173.8691 99 G 3.8688 8.1360 112.5531 45.3895 0.0000 170.5332 100 T 4.9436 8.0213 114.9091 61.8870 73.1573 173.1965 101 A 4.6716 8.6893 128.8972 50.7051 20.4190 176.0798 102 Y 4.6380 8.0287 118.4948 55.6446 39.1030 175.5356 103 K 3.8826 6.4190 124.6141 56.1711 31.0248 177.7974 104 F 4.2588 7.7718 115.1227 60.7610 35.2039 176.3458 105 E 3.5716 7.0765 125.8033 57.0534 26.9440 177.3503 106 E 4.4237 8.4489 119.7061 56.6920 30.4615 177.4659 107 V 3.1346 7.2217 110.8864 64.2136 29.1709 171.9754 108 S 4.8720 8.4237 119.1493 55.8220 67.4182 179.8870 109 K 3.7420 8.5358 121.9717 57.9015 31.2648 175.8921 110 D 4.8341 8.8750 122.2123 54.8987 42.7159 174.5738 111 L 5.3036 7.4719 117.6779 53.4782 44.1930 176.4248 112 I 4.5505 7.9380 121.7807 60.2448 40.3105 174.3189 113 A 5.6814 8.3463 123.4301 50.4419 22.2063 175.5541 114 V 4.1822 8.2003 121.6769 60.3199 34.0893 175.8008 115 Y 4.1483 7.8037 119.6376 57.8182 39.5357 175.4203 116 Y 3.6696 7.1298 114.9948 58.7271 37.2085 169.8486 117 S 4.7770 9.1406 117.7477 56.5672 65.3843 172.8599 118 F 4.5858 10.6184 127.3034 56.4640 37.7193 175.8566 119 G 3.7520 9.5401 116.0252 46.0106 0.0000 172.7922 120 G 3.8815 8.2132 109.6110 44.6501 0.0000 174.5452 121 L 4.2481 8.0013 121.0552 54.4742 42.0875 176.0217 122 L 5.2859 8.7496 123.8643 53.4809 44.6162 175.2136 123 M 5.3869 9.3422 119.8847 54.4324 36.7481 174.1806 124 R 4.3619 8.4593 119.6966 55.5606 34.5549 173.2664 125 L 5.4553 8.0046 127.3325 52.5528 43.4170 176.0445 126 E 5.0587 8.1592 125.2543 52.9681 31.8669 178.3805 127 G 4.4658 8.0018 112.7447 45.7645 0.0000 174.7459 128 N 4.3129 7.7445 126.4880 53.7289 42.2206 174.7728 129 Y 4.6585 7.9332 114.7115 58.1528 39.0136 175.3230 130 R 4.7450 7.2567 117.0856 55.7784 29.8244 177.4671 131 N 4.2090 8.3736 116.4537 57.9248 39.4385 177.3875 132 L 4.4339 7.5309 117.4526 54.2674 40.1705 175.8304 133 N 4.9211 7.6123 118.0792 55.0116 44.4572 174.0904 134 N 4.5430 8.5317 119.8476 53.2409 38.0541 176.0840 135 L 3.6754 8.1560 123.7238 54.5627 38.9547 178.3098 136 K 4.2620 7.8118 125.6964 58.3035 32.9567 174.8968 137 Q 4.5834 7.3513 115.1998 55.7676 33.3405 173.0046 138 E 3.8699 9.5301 121.8788 57.1695 28.6208 178.9646 139 N 4.0112 5.8745 113.4817 53.8819 34.9594 171.9533 140 A 4.7038 8.7000 120.1164 50.2831 21.8769 175.3285 141 Y 4.8484 9.3998 120.0546 58.5211 40.1951 174.7783 142 L 4.9457 8.6730 121.5798 53.2767 46.2163 174.7216 143 L 5.6308 8.1051 123.7855 52.1580 46.1517 175.3513 144 I 5.7738 8.2964 121.6277 60.0376 41.9448 173.9640 145 R 5.1664 8.5781 121.0371 54.5700 33.2845 175.0988 146 R 4.2677 8.4890 120.0599 56.8238 30.0972 176.0862 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 2 S 8.33 4.50 0.00 4.00 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 3 N 8.18 4.62 0.00 2.81 2.80 0.00 0.00 6.85 6.65 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 4 T 7.81 4.78 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 5 L 8.65 4.51 0.00 1.90 1.89 1.12 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.28 4.96 0.00 3.15 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 7 D 6.28 5.63 0.00 2.84 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 8 D 7.45 4.33 0.00 2.22 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 9 I 9.16 5.24 1.83 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 1.25 1.12 0.94 0.00 0.00 10 F 10.10 5.38 0.00 2.87 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 11 Q 9.35 4.77 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.87 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 12 V 8.21 4.32 2.13 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 0.96 0.00 0.00 0.99 0.00 0.00 13 S 9.27 4.41 0.00 3.78 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 14 E 7.55 4.69 0.00 1.88 1.80 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 2.23 2.23 0.00 15 V 8.57 4.62 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 0.80 0.00 0.00 0.96 0.00 0.00 16 D 8.61 4.78 0.00 2.84 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 17 P 0.00 4.85 0.00 2.29 2.28 0.00 3.80 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.96 0.00 18 G 7.71 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 0.00 0.00 0.00 19 R 8.75 4.39 0.00 1.51 2.11 0.00 3.32 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.43 0.00 20 Y 6.30 4.66 0.00 3.39 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 21 N 8.77 4.90 0.00 2.72 2.87 0.00 0.00 6.82 7.61 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 22 K 8.01 4.58 0.00 1.69 1.82 0.00 1.60 0.00 0.00 1.87 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.42 7.81 23 V 7.64 4.95 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 0.78 0.00 0.00 0.86 0.00 0.00 24 C 8.91 4.94 0.00 2.95 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 25 R 8.95 4.95 0.00 2.09 1.87 0.00 3.14 0.00 0.00 3.22 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 26 I 8.89 4.30 2.00 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 1.12 0.58 0.96 0.00 0.00 27 E 10.03 4.66 0.00 1.93 1.88 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 2.26 2.42 0.00 28 A 8.41 5.31 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 29 A 9.36 4.97 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 30 S 8.68 4.47 0.00 3.96 3.77 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 31 T 8.18 3.97 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 1.20 0.00 0.00 32 T 9.05 3.61 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 1.07 0.00 0.00 33 Q 9.37 4.22 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 34 D 8.93 4.52 0.00 2.65 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 35 Q 7.59 4.19 0.00 2.30 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 36 C 8.05 4.71 0.00 3.30 3.15 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 37 K 8.90 5.10 0.00 1.90 1.63 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.52 7.81 38 L 8.62 4.84 0.00 1.07 1.20 0.61 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.18 4.89 4.25 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 1.29 0.00 0.00 40 L 9.11 4.83 0.00 1.67 1.35 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.70 5.27 0.00 2.93 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 42 I 9.07 4.76 1.89 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.81 1.06 0.00 0.00 43 N 9.09 4.65 0.00 2.85 2.81 0.00 0.00 6.78 7.27 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 44 V 9.10 4.00 2.13 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 1.00 0.00 0.00 0.98 0.00 0.00 45 E 8.65 4.22 0.00 2.14 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 0.00 2.27 2.28 0.00 46 L 8.19 4.30 0.00 1.71 1.69 0.85 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 47 F 6.99 4.75 0.00 3.50 3.39 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 48 P 0.00 4.54 0.00 2.04 1.96 0.00 2.75 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.94 0.00 49 V 7.78 4.18 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 1.03 0.00 0.00 50 A 8.25 4.75 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 51 A 8.37 4.02 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 52 Q 8.56 3.23 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.67 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 53 D 7.38 4.46 0.00 3.03 2.69 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 54 S 8.03 4.87 0.00 4.08 3.85 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 55 L 9.47 4.81 0.00 1.67 1.65 0.97 0.94 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 56 T 8.72 4.62 4.43 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 0.00 0.00 0.00 1.28 0.00 0.00 57 V 8.80 4.77 2.53 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 0.94 0.00 0.00 0.95 0.00 0.00 58 T 8.40 5.70 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 1.31 0.00 0.00 59 I 8.68 4.36 1.92 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 1.13 0.74 0.93 0.00 0.00 60 A 8.23 5.05 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 61 S 8.72 4.87 0.00 4.05 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 62 S 8.29 4.48 0.00 3.88 3.35 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 63 L 8.33 3.52 0.00 1.59 1.58 0.89 0.80 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 *76 T 7.83 4.20 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 1.33 0.00 0.00 77 R 8.14 3.84 0.00 1.97 1.95 0.00 3.31 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 78 S 8.48 4.60 0.00 3.90 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 79 W 8.59 5.29 0.00 3.01 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 80 R 6.91 4.72 0.00 1.53 1.60 0.00 3.23 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 81 P 0.00 4.08 0.00 1.89 1.04 0.00 3.47 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 1.95 2.01 0.00 82 P 0.00 4.58 0.00 2.28 1.48 0.00 3.75 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.93 0.00 83 Q 8.40 4.33 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 84 A 7.85 4.04 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 85 G 7.74 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 0.00 0.00 0.00 0.00 86 D 7.35 4.48 0.00 2.78 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 87 R 8.05 4.28 0.00 1.76 1.95 0.00 3.19 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 88 S 8.06 4.47 0.00 3.83 3.85 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 89 L 7.79 4.31 0.00 1.71 1.87 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.05 4.16 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 91 D 8.99 5.22 0.00 2.71 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 D 9.04 4.97 0.00 2.39 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 93 Y 7.85 4.89 0.00 2.86 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 94 D 9.06 4.75 0.00 2.77 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 95 Y 7.79 4.50 0.00 2.46 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 0.00 0.00 0.00 0.00 96 V 8.09 4.92 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 0.95 0.00 0.00 0.92 0.00 0.00 97 M 9.18 4.60 0.00 1.15 1.39 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.30 0.00 98 Y 8.42 5.04 0.00 2.59 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.14 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 0.00 0.00 0.00 100 T 8.02 4.94 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 1.15 0.00 0.00 101 A 8.69 4.67 0.90 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 0.00 102 Y 8.03 4.64 0.00 2.81 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 0.00 103 K 6.42 3.88 0.00 1.94 2.52 0.00 1.60 0.00 0.00 1.90 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.20 7.81 104 F 7.77 4.26 0.00 3.03 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 0.00 105 E 7.08 3.57 0.00 1.78 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 0.00 2.22 2.34 0.00 106 E 8.45 4.42 0.00 2.13 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 2.45 2.48 0.00 107 V 7.22 3.13 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 0.78 0.00 0.00 0.85 0.00 0.00 108 S 8.42 4.87 0.00 4.02 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 0.00 109 K 8.54 3.74 0.00 1.86 1.03 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.37 1.50 7.81 110 D 8.87 4.83 0.00 2.60 2.59 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 0.00 111 L 7.47 5.30 0.00 1.69 1.60 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 112 I 7.94 4.55 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.02 0.81 0.00 0.00 113 A 8.35 5.68 0.99 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 0.00 114 V 8.20 4.18 1.88 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 0.74 0.00 0.00 0.34 0.00 0.00 115 Y 7.80 4.15 0.00 2.00 1.43 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 0.00 0.00 0.00 0.00 116 Y 7.13 3.67 0.00 3.09 2.35 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 0.00 117 S 9.14 4.78 0.00 3.75 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 0.00 118 F 10.62 4.59 0.00 3.38 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 0.00 119 G 9.54 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 0.00 120 G 8.21 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 0.00 0.00 0.00 121 L 8.00 4.25 0.00 2.18 1.79 0.98 0.53 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 0.00 122 L 8.75 5.29 0.00 1.76 1.78 1.02 0.69 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 0.00 123 M 9.34 5.39 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 124 R 8.46 4.36 0.00 1.72 1.56 0.00 2.92 0.00 0.00 3.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.50 0.00 125 L 8.00 5.46 0.00 1.42 1.41 0.39 0.80 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 0.00 126 E 8.16 5.06 0.00 2.03 1.82 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 2.34 2.12 0.00 127 G 8.00 4.47 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 0.00 128 N 7.74 4.31 0.00 2.81 2.86 0.00 0.00 6.68 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 0.00 129 Y 7.93 4.66 0.00 3.15 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 0.00 130 R 7.26 4.74 0.00 2.10 2.16 0.00 2.71 0.00 0.00 3.07 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.04 0.00 131 N 8.37 4.21 0.00 2.73 2.89 0.00 0.00 7.20 7.85 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 0.00 132 L 7.53 4.43 0.00 1.66 1.69 0.94 0.91 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 0.00 133 N 7.61 4.92 0.00 2.60 2.91 0.00 0.00 7.30 7.79 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 0.00 134 N 8.53 4.54 0.00 2.78 2.77 0.00 0.00 7.23 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.16 3.68 0.00 1.76 1.88 1.09 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 136 K 7.81 4.26 0.00 1.71 1.80 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.58 7.81 137 Q 7.35 4.58 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 138 E 9.53 3.87 0.00 1.89 1.72 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 2.21 2.16 0.00 139 N 5.87 4.01 0.00 2.98 3.15 0.00 0.00 6.65 7.35 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 0.00 140 A 8.70 4.70 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 0.00 141 Y 9.40 4.85 0.00 3.02 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 0.00 142 L 8.67 4.95 0.00 1.60 0.96 0.78 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 143 L 8.11 5.63 0.00 1.07 0.13 0.62 0.37 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 0.00 144 I 8.30 5.77 1.37 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.74 0.12 0.00 0.00 145 R 8.58 5.17 0.00 1.84 1.99 0.00 2.88 0.00 0.00 3.07 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.64 0.00 146 R 8.49 4.27 0.00 2.25 1.98 0.00 3.17 0.00 0.00 3.06 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 * Residues marked with a * may have inaccurate shift predictions.