NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.4597 8.1933 116.7944 58.6436 63.9442 173.9828 7 T 3.6788 8.5916 123.7891 66.4204 68.2919 174.5958 8 K 4.0386 8.1441 119.9509 58.8358 32.8049 178.9122 9 K 3.9136 7.8867 119.4391 59.8028 32.1802 178.9360 10 T 3.8375 7.8580 116.0092 66.7955 68.3379 176.6649 11 Q 3.9426 8.2634 121.4556 58.9501 28.7941 178.0493 12 L 3.9987 7.9165 120.2870 57.8250 41.5903 179.3832 13 Q 4.0594 8.0607 117.9509 58.4888 28.6462 178.5505 14 L 3.9974 8.1986 120.4524 57.9104 41.1972 179.3832 15 E 3.9755 8.5741 118.6740 59.1794 29.0760 178.8656 16 H 4.2533 7.6726 117.8701 58.6809 30.3170 176.4317 17 L 4.1041 8.5668 122.6181 58.2562 41.7947 178.3553 18 L 3.9519 8.1005 120.2318 58.7286 41.9601 179.2498 19 L 4.0217 7.6741 117.1940 57.4989 41.6090 179.3392 20 D 4.3754 8.1196 119.3607 57.1482 40.7768 178.6553 21 L 4.0303 7.8517 118.9966 58.0771 41.7736 179.4787 22 Q 4.0654 8.4079 118.1938 59.2397 28.6311 178.7728 23 M 4.1974 8.1753 119.6103 58.0095 31.8771 178.8635 24 I 4.1126 7.6765 120.1155 64.0807 37.3857 178.0777 25 L 3.9544 8.0960 121.2722 58.2331 41.7828 178.5917 26 N 4.4189 8.2050 115.7734 56.3009 38.8367 176.8152 27 G 2.7653 7.2537 106.4483 47.0384 0.0000 175.4468 28 I 3.8488 7.0908 114.1005 62.8250 39.3622 176.9204 29 N 4.5858 7.7544 119.1046 51.9893 36.8496 172.5894 30 N 4.6573 7.0500 116.6630 52.0806 40.3162 175.7353 31 Y 4.0782 8.4165 116.2676 60.1887 38.0312 176.8650 32 K 4.2864 8.0417 119.4948 56.2636 32.2540 176.2508 33 N 4.7642 7.9842 118.5738 51.5501 38.0464 172.9249 34 P 4.5798 0.0000 0.0000 63.5580 32.1335 177.5541 35 K 4.5584 7.7907 118.2108 56.2484 33.0723 177.2861 36 L 3.9216 7.8703 123.4285 58.8450 41.5669 179.0524 37 T 3.8775 7.9589 107.3502 65.2596 68.6200 175.8297 38 R 4.0878 7.9555 120.0745 59.1218 29.7827 178.5731 39 M 4.5457 8.2497 118.5950 58.3946 31.7481 178.2266 40 L 4.2397 8.1239 119.2418 56.9615 42.3451 177.7964 41 T 4.2611 7.8131 108.1702 61.1666 69.6006 174.7498 42 F 4.0824 7.1892 120.1787 57.2767 39.7669 174.7618 43 K 4.4074 8.1373 123.1774 55.2045 33.2615 175.9723 44 F 4.3382 9.1588 123.6282 55.6563 42.0693 174.3253 45 Y 4.9845 8.8163 120.7374 57.7137 39.1354 174.8771 46 M 5.1697 8.6855 121.3728 52.9225 35.6523 173.2865 47 P 4.7959 0.0000 0.0000 62.6191 32.2644 175.9679 48 K 4.1109 9.1961 125.5439 58.9118 31.9280 176.7833 49 K 4.5887 7.8436 118.0397 54.9170 35.3803 176.8563 50 A 4.5618 7.9775 122.2010 51.7237 19.6953 176.1919 51 T 4.6440 7.9334 109.6217 60.9845 70.9893 174.9789 52 E 4.9788 8.1417 120.7287 54.3748 33.9473 176.2168 53 L 4.4679 8.5652 119.5222 57.5594 42.3050 179.9715 54 K 4.2359 8.1556 118.5349 60.2008 32.3711 178.1509 55 H 4.5674 8.2143 115.8488 57.1287 28.5845 176.8991 56 L 3.8080 8.3533 122.0916 56.5561 41.3196 178.6976 57 Q 4.0434 7.9646 120.2001 59.3459 28.7360 177.4662 58 C 4.6109 8.1634 116.7462 59.3945 41.5509 175.3339 59 L 3.9252 7.1447 121.5162 57.3659 41.7255 177.7885 60 E 3.8781 8.3198 119.6717 59.6720 29.2775 178.8272 61 E 4.1008 8.5661 117.4361 58.7558 29.8453 178.1450 62 E 4.5406 8.3855 116.7077 56.4688 30.0343 177.8991 63 L 4.0753 7.8219 121.0530 57.4598 41.6528 178.9430 64 K 4.0580 7.9940 118.9501 58.2026 32.3507 176.6190 65 P 4.1141 0.0000 0.0000 65.5865 31.2007 178.0736 66 L 4.0691 8.1219 118.8412 58.2254 41.7773 178.6884 67 E 3.8968 8.0845 118.1565 59.0826 29.8499 178.2004 68 E 4.0189 8.1177 118.6898 59.5447 29.5798 179.6369 69 V 3.1844 7.5398 118.0291 65.7251 31.6558 177.7651 70 L 4.2767 8.0695 118.1381 57.0653 41.2063 178.7890 71 N 4.4877 7.7722 115.8596 55.4729 38.5134 176.6989 72 L 4.1537 8.1043 120.2701 56.1612 42.1669 177.4745 73 A 4.2616 7.2112 121.1144 51.6645 18.7740 177.0449 74 Q 4.2721 8.6455 120.3696 55.5838 29.4670 177.1640 75 S 4.2974 9.1949 120.5531 61.6790 63.1337 177.0099 76 K 3.9621 8.2769 117.7043 59.9799 32.0907 177.0816 77 N 4.6882 7.8361 113.4946 53.0956 38.5825 174.6780 78 F 4.7684 7.7858 117.3250 56.2006 40.4479 175.8671 79 H 4.3952 8.9842 123.6722 58.0527 30.1025 174.9837 80 L 4.8119 7.5758 118.7144 52.3096 45.1832 175.8265 81 R 3.9615 8.4011 122.3426 55.6541 30.7400 175.9247 82 P 3.8710 0.0000 0.0000 66.0907 30.6794 178.6027 83 R 3.8465 7.8229 115.0073 59.3667 29.1563 178.5229 84 D 4.2940 8.1798 119.7918 56.9821 40.8882 178.6648 85 L 4.0367 7.7422 118.9706 58.0012 41.6699 179.5732 86 I 3.8268 8.3003 120.0348 64.1515 37.0097 178.7513 87 S 4.1139 8.2207 116.2432 61.4908 62.7010 176.1187 88 N 4.3037 8.5265 119.5711 56.7639 38.4204 177.5568 89 I 3.7423 7.8206 120.8003 64.3651 37.0615 178.0972 90 N 4.3482 8.2354 117.9834 56.1758 38.6228 177.2890 91 V 3.5972 7.9389 119.9372 65.8598 31.8139 178.0726 92 I 3.6616 7.7516 119.5550 64.4130 36.9315 178.6643 93 V 3.5860 7.8788 119.0435 65.9574 31.1263 178.1213 94 L 4.0243 7.5397 117.5348 57.5772 41.5777 178.6107 95 E 4.2596 8.2799 116.2185 57.3627 29.7324 177.6328 96 L 4.5433 7.4057 118.0904 54.3568 43.7370 177.0948 97 K 4.0419 7.5525 120.0959 56.4015 32.7173 176.7178 *98 G 3.7549 8.4263 111.1197 45.4064 0.0000 173.4589 *105 C 4.1145 8.2942 120.2059 56.1797 43.8945 173.4524 106 E 4.2106 8.1675 125.0865 55.7016 29.3768 175.2945 107 Y 5.1829 8.0262 123.2960 57.7258 39.4054 174.8773 108 A 4.5006 8.9784 123.5108 51.1876 19.9226 177.5821 109 D 4.4114 8.9688 120.5273 57.4378 41.1479 177.0335 110 E 4.1836 7.9906 118.6906 55.9263 30.2744 176.1863 111 T 4.6577 8.3461 116.1063 61.0860 71.0047 172.8794 112 A 5.0105 8.9281 123.0502 50.1986 23.3420 175.3863 113 T 4.5517 9.0325 114.3834 61.6555 68.7701 175.9602 114 I 3.3380 8.5736 124.4435 64.3584 37.1741 178.9404 115 V 3.6350 7.7836 118.6199 65.9321 31.4165 177.7722 116 E 4.0649 8.1898 118.0873 58.9688 29.3319 178.8231 117 F 4.1667 8.7029 121.2259 61.3627 39.5589 177.2547 118 L 3.9532 8.4201 119.0127 57.9566 41.3634 179.3527 119 N 4.3978 8.1596 116.2662 56.1499 38.3081 177.4734 120 R 3.8378 7.9651 120.2859 58.8043 30.0430 178.3034 121 W 4.4164 7.7532 118.5708 58.9276 29.1082 178.6978 122 I 3.8073 7.9449 120.3924 64.6761 36.5162 178.4505 123 T 3.9384 7.7951 116.2735 66.5561 68.2540 176.5956 124 F 4.1864 8.1389 122.2581 61.0132 39.2913 177.1088 125 A 3.8963 8.6016 120.8289 55.4795 18.1300 179.7425 126 Q 3.9204 8.6179 116.8142 58.8082 28.4497 179.0283 127 S 4.0063 7.7840 113.6856 61.5276 62.7152 176.0138 128 I 3.7145 7.3856 122.4584 64.0849 36.6327 178.3437 129 I 3.6574 7.3477 120.8506 64.6129 36.8643 178.2814 130 S 4.2892 7.5967 112.4530 60.5299 62.5924 175.6562 131 T 4.3477 7.8430 118.5837 64.4711 69.1084 174.6602 132 L 4.5200 7.6954 121.2852 54.9277 42.2739 176.4439 133 T 4.1605 7.6136 119.1511 63.5997 69.3836 173.5615 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 S 8.19 4.46 0.00 3.90 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 7 T 8.59 3.68 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 8 K 8.14 4.04 0.00 1.79 1.84 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.48 7.81 9 K 7.89 3.91 0.00 1.78 1.79 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.47 7.81 10 T 7.86 3.84 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 1.20 0.00 0.00 11 Q 8.26 3.94 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 12 L 7.92 4.00 0.00 2.16 1.71 0.94 0.88 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 13 Q 8.06 4.06 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 14 L 8.20 4.00 0.00 1.98 1.70 0.93 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.57 3.98 0.00 2.01 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 2.33 2.60 0.00 16 H 7.67 4.25 0.00 3.25 3.47 0.00 5.77 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.57 4.10 0.00 1.91 1.94 0.91 0.77 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 18 L 8.10 3.95 0.00 1.92 1.88 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.67 4.02 0.00 1.79 1.68 0.96 1.05 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 20 D 8.12 4.38 0.00 2.93 2.73 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 21 L 7.85 4.03 0.00 1.92 1.75 0.99 0.98 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 22 Q 8.41 4.07 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.62 0.00 23 M 8.18 4.20 0.00 2.19 2.41 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 2.75 2.61 0.00 24 I 7.68 4.11 2.11 0.00 0.00 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 1.47 1.55 1.03 0.00 0.00 25 L 8.10 3.95 0.00 1.88 1.83 0.93 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.21 4.42 0.00 2.91 2.80 0.00 0.00 7.26 7.60 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 27 G 7.25 2.77 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 0.00 0.00 0.00 28 I 7.09 3.85 1.88 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 1.44 0.78 1.05 0.00 0.00 29 N 7.75 4.59 0.00 2.92 2.74 0.00 0.00 7.09 7.07 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 30 N 7.05 4.66 0.00 2.90 2.77 0.00 0.00 6.12 7.57 0.00 0.00 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 8.42 4.08 0.00 2.98 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 32 K 8.04 4.29 0.00 1.84 1.99 0.00 1.77 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.39 7.81 33 N 7.98 4.76 0.00 2.71 2.81 0.00 0.00 6.95 7.59 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 34 P 0.00 4.58 0.00 2.24 2.18 0.00 3.78 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 35 K 7.79 4.56 0.00 1.89 1.86 0.00 1.61 0.00 0.00 1.93 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.47 7.81 36 L 7.87 3.92 0.00 1.77 1.64 0.95 1.02 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 37 T 7.96 3.88 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 1.21 0.00 0.00 38 R 7.96 4.09 0.00 1.99 2.06 0.00 3.17 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 39 M 8.25 4.55 0.00 2.22 2.39 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.65 0.00 40 L 8.12 4.24 0.00 1.98 1.79 0.96 0.87 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 T 7.81 4.26 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 42 F 7.19 4.08 0.00 3.39 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 43 K 8.14 4.41 0.00 1.23 1.55 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.22 1.25 7.81 44 F 9.16 4.34 0.00 2.98 2.39 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 45 Y 8.82 4.98 0.00 2.37 2.23 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 46 M 8.69 5.17 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.67 0.00 47 P 0.00 4.80 0.00 2.23 2.26 0.00 3.56 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 1.48 1.10 0.00 48 K 9.20 4.11 0.00 2.04 1.82 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.43 7.81 49 K 7.84 4.59 0.00 1.81 1.53 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.35 7.81 50 A 7.98 4.56 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 7.93 4.64 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 1.26 0.00 0.00 52 E 8.14 4.98 0.00 1.97 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 2.32 2.38 0.00 53 L 8.57 4.47 0.00 1.78 1.93 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.16 4.24 0.00 1.96 2.05 0.00 1.60 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.48 7.81 55 H 8.21 4.57 0.00 3.49 3.40 0.00 5.64 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.35 3.81 0.00 1.78 1.61 1.04 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 7.96 4.04 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 58 C 8.16 4.61 0.00 3.53 3.60 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 59 L 7.14 3.93 0.00 0.27 1.03 0.43 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.32 3.88 0.00 2.02 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 0.00 2.32 2.35 0.00 61 E 8.57 4.10 0.00 2.23 2.23 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 2.45 2.65 0.00 62 E 8.39 4.54 0.00 2.34 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 2.53 2.88 0.00 63 L 7.82 4.08 0.00 1.89 1.73 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.99 4.06 0.00 1.79 1.78 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.45 7.81 65 P 0.00 4.11 0.00 2.26 1.77 0.00 3.68 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 2.02 2.05 0.00 66 L 8.12 4.07 0.00 2.01 1.89 1.05 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.08 3.90 0.00 2.07 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 2.30 0.00 68 E 8.12 4.02 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 2.38 2.39 0.00 69 V 7.54 3.18 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 0.83 0.00 0.00 0.57 0.00 0.00 70 L 8.07 4.28 0.00 1.82 1.63 0.86 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 71 N 7.77 4.49 0.00 2.90 2.85 0.00 0.00 7.00 8.01 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 72 L 8.10 4.15 0.00 1.71 1.77 0.97 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 73 A 7.21 4.26 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.65 4.27 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.74 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 75 S 9.19 4.30 0.00 3.93 3.98 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 76 K 8.28 3.96 0.00 1.90 2.01 0.00 1.59 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.52 7.81 77 N 7.84 4.69 0.00 2.53 2.80 0.00 0.00 6.99 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 7.79 4.77 0.00 3.11 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 79 H 8.98 4.40 0.00 3.13 3.41 0.00 5.86 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.58 4.81 0.00 1.60 1.47 0.88 0.93 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 81 R 8.40 3.96 0.00 2.03 1.79 0.00 3.18 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 82 P 0.00 3.87 0.00 1.92 1.46 0.00 3.50 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.43 0.00 83 R 7.82 3.85 0.00 1.97 2.19 0.00 3.04 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 84 D 8.18 4.29 0.00 2.90 2.74 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 0.00 85 L 7.74 4.04 0.00 1.80 1.72 0.97 1.02 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 86 I 8.30 3.83 1.82 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 1.62 1.14 0.89 0.00 0.00 87 S 8.22 4.11 0.00 3.98 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 88 N 8.53 4.30 0.00 2.91 2.94 0.00 0.00 7.07 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.82 3.74 1.86 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 1.41 1.00 0.86 0.00 0.00 90 N 8.24 4.35 0.00 3.00 2.79 0.00 0.00 6.79 7.02 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 91 V 7.94 3.60 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 1.05 0.00 0.00 0.94 0.00 0.00 92 I 7.75 3.66 1.86 0.00 0.00 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 1.36 0.83 0.96 0.00 0.00 93 V 7.88 3.59 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.89 0.00 0.00 94 L 7.54 4.02 0.00 1.77 1.71 0.95 1.39 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 95 E 8.28 4.26 0.00 2.03 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 2.33 0.00 96 L 7.41 4.54 0.00 1.75 1.72 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.55 4.04 0.00 1.81 1.81 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.38 7.81 *98 G 8.43 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 *105 C 8.29 4.11 0.00 2.97 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 0.00 106 E 8.17 4.21 0.00 2.06 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 2.29 2.32 0.00 107 Y 8.03 5.18 0.00 2.79 2.74 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 0.00 108 A 8.98 4.50 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 0.00 109 D 8.97 4.41 0.00 2.70 2.77 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 0.00 110 E 7.99 4.18 0.00 1.95 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 2.32 2.31 0.00 111 T 8.35 4.66 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 112 A 8.93 5.01 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 0.00 113 T 9.03 4.55 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 1.40 0.00 0.00 114 I 8.57 3.34 1.87 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.92 0.64 0.00 0.00 115 V 7.78 3.64 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 1.08 0.00 0.00 0.99 0.00 0.00 116 E 8.19 4.06 0.00 2.14 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 2.42 2.40 0.00 117 F 8.70 4.17 0.00 3.10 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 0.00 118 L 8.42 3.95 0.00 1.75 1.74 0.97 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 119 N 8.16 4.40 0.00 2.92 2.85 0.00 0.00 6.66 7.50 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 0.00 120 R 7.97 3.84 0.00 1.91 1.44 0.00 2.40 0.00 0.00 2.75 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.60 0.00 121 W 7.75 4.42 0.00 3.14 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 0.00 122 I 7.94 3.81 2.03 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 1.57 0.74 0.94 0.00 0.00 123 T 7.80 3.94 4.49 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 1.20 0.00 0.00 124 F 8.14 4.19 0.00 2.99 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 0.00 125 A 8.60 3.90 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 0.00 126 Q 8.62 3.92 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 127 S 7.78 4.01 0.00 4.10 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 I 7.39 3.71 1.61 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 0.88 0.14 0.80 0.00 0.00 129 I 7.35 3.66 1.98 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 1.49 0.65 0.89 0.00 0.00 130 S 7.60 4.29 0.00 3.92 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 0.00 131 T 7.84 4.35 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 1.19 0.00 0.00 132 L 7.70 4.52 0.00 1.77 1.81 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 133 T 7.61 4.16 4.42 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 1.20 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.