NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.5729 8.4249 118.1179 52.9295 39.9216 173.5569 4 K 4.0534 8.4434 121.6400 54.5925 33.1248 174.0933 5 T 4.4375 8.7836 122.1623 61.6895 71.3810 173.4469 6 Y 4.8376 8.3039 122.6292 56.3225 40.2624 175.3903 7 E 4.7042 8.9090 123.6975 54.9138 31.8162 174.9498 8 I 4.1731 7.8654 120.1137 58.9576 38.9806 175.7768 9 S 4.3524 8.7510 123.0940 58.3032 63.9722 175.0003 10 S 4.3988 8.9164 122.6024 61.5565 63.0167 176.5309 11 A 4.3488 8.1707 124.5480 55.1867 18.2190 179.2601 12 E 3.8046 8.1914 116.6401 59.4584 29.3092 179.3117 13 W 4.4462 8.7212 118.3121 60.1667 29.2084 177.8800 14 E 4.3722 8.2031 117.2902 59.4680 29.2492 179.1845 15 V 3.5704 7.9311 115.1588 64.4036 31.4768 176.9353 *17 N 5.2042 8.0680 116.7640 53.3501 40.4140 175.8775 18 I 4.0634 8.5004 118.4564 64.1088 37.2028 177.0990 19 I 3.8108 7.5193 120.8498 63.6328 37.3085 177.2171 20 W 4.5598 8.0691 121.8345 58.2886 29.8938 177.4022 *22 K 4.2394 8.0409 115.8455 55.0661 33.3822 176.6850 23 K 4.2414 8.8583 124.6044 57.5964 31.2972 174.3961 24 Y 5.3292 7.6110 117.1479 56.2220 40.9469 174.3261 25 A 4.6565 8.3335 124.1929 51.2868 23.4073 176.4709 26 S 4.5406 8.9260 117.3258 56.3650 65.2851 173.6315 27 A 3.6278 9.0671 119.5032 56.7632 17.4317 179.1793 28 N 4.2664 8.2079 112.1180 55.7331 39.4587 177.1568 29 N 4.1626 7.8577 117.5791 56.6456 38.7307 177.3795 30 I 3.8500 7.5937 120.9516 64.3744 37.2045 178.1899 31 I 3.6994 7.7143 120.1099 64.6682 36.7483 177.6938 32 E 4.0258 8.1366 117.9314 59.9313 29.5416 179.4345 33 E 4.1827 7.7435 114.2780 58.2329 29.7890 178.3110 34 I 4.3224 7.5129 119.5577 62.6012 38.8684 177.4655 35 Q 4.5294 8.6979 120.9869 55.5736 26.3928 176.8746 *37 Q 4.2144 7.7557 118.8010 55.5688 31.1356 173.4809 38 K 4.3430 7.8103 114.6500 56.5724 36.5189 175.9304 39 D 4.6051 7.5150 117.5958 52.2601 41.0196 173.4362 40 W 5.0378 7.9861 122.1273 54.3949 32.9629 174.4806 41 S 4.8187 8.2565 112.7054 56.5293 62.8049 173.6726 42 P 4.3804 0.0000 0.0000 64.9088 30.7665 178.2434 43 K 4.0807 7.8700 118.5094 59.1538 32.4891 178.4637 44 T 3.8088 7.8653 114.0620 66.8994 68.5380 176.1273 45 I 3.5618 7.8689 121.2377 64.4126 37.1477 178.1756 46 R 3.6953 7.4946 118.6634 60.0455 29.6975 178.3540 47 T 3.7744 7.9107 115.0851 66.6864 68.4973 176.3949 48 L 3.8597 7.8353 120.9455 58.2847 41.5787 179.0528 49 I 3.5030 7.6194 118.9992 64.4434 36.8242 177.9528 50 T 3.8725 8.3067 115.5524 67.2266 68.5586 176.1884 51 R 3.8721 8.7136 119.5585 59.8383 30.4423 178.9248 52 L 4.1705 7.9657 118.1500 58.1044 41.6680 179.2317 53 Y 4.2094 8.4810 119.7659 60.7994 38.6183 178.1037 54 K 3.8453 8.2357 118.3440 58.9876 32.1785 179.2751 55 K 3.5322 8.1964 118.6778 56.6121 33.1177 176.5034 56 G 3.3351 7.4548 105.2863 46.1883 0.0000 173.0902 57 F 4.8435 8.1356 116.0818 57.1830 42.7792 176.8643 58 I 4.9616 7.6902 109.8398 59.2935 41.2918 173.3720 59 D 5.1447 9.0969 121.2805 53.1351 45.3524 173.5952 60 R 4.7998 8.2630 117.4244 54.3351 32.5586 174.7938 61 K 4.2126 7.3224 120.8169 56.1627 35.2246 174.3576 62 K 4.5722 8.4046 130.1056 56.5894 30.3373 175.9970 63 D 4.3896 8.3779 123.6255 56.3030 42.7701 176.0080 64 N 4.4885 8.3831 114.1355 53.4247 38.8792 174.5126 65 K 4.6621 5.6600 114.3891 55.5334 34.8067 175.9404 66 I 4.7069 7.3311 111.8218 58.6333 40.6570 175.2950 67 F 4.5857 8.8750 123.1723 58.4154 40.4497 174.2650 68 Q 4.5104 8.2480 118.9061 54.5896 31.7571 174.3892 69 Y 5.4919 10.1582 123.1164 57.0675 39.9594 174.4566 70 Y 5.0911 8.5685 118.8199 55.2733 41.9794 174.2889 71 S 4.3683 8.0374 117.4506 58.7296 62.6050 173.6361 72 L 4.4155 9.4126 125.1585 55.3809 43.3307 177.5650 73 V 4.2293 7.5926 110.5327 59.7065 32.9173 174.8806 74 E 4.4454 8.6601 123.5173 55.1782 31.0202 175.2010 75 E 3.8171 9.9155 122.3191 60.1099 29.4909 178.9877 76 S 3.9397 8.9123 112.8165 61.8312 63.9179 176.1399 77 D 4.4643 7.9254 121.3429 57.2357 40.5368 178.7151 78 I 4.0743 8.6748 119.2253 63.5671 38.1222 177.8171 79 K 4.2243 8.1054 118.8551 59.8638 32.1320 178.2477 80 Y 4.2068 8.0086 119.6182 60.7079 38.6967 178.3146 81 K 3.5029 7.5785 118.8432 59.6613 32.3693 178.7582 82 T 3.9370 8.6763 116.5145 67.0176 68.3956 176.4677 83 S 4.1797 8.2851 117.0843 61.8036 62.8527 177.1717 84 K 3.9482 7.7912 120.3431 59.4054 31.5683 178.6842 85 N 4.2915 7.9850 116.8425 57.3277 38.8164 175.8967 86 F 4.3226 8.5972 121.7948 60.9785 39.3334 176.6573 87 I 3.7113 8.7402 119.0604 65.0228 37.0892 178.0804 88 N 4.3643 8.0609 115.4770 56.1084 38.3606 177.0752 89 K 4.1511 7.4706 119.2945 59.9120 33.1440 178.0549 90 V 3.6054 7.8696 119.1587 63.4404 31.4367 175.0874 91 Y 3.9699 7.6615 117.0921 57.7311 38.7796 176.7936 92 K 4.1735 8.8331 124.8453 58.9809 32.2383 177.4908 93 G 3.9496 8.1830 107.5426 45.8109 0.0000 174.9750 94 G 4.0968 8.2029 110.1220 44.6304 0.0000 173.1191 95 F 4.4770 8.9886 118.8641 61.6524 38.7306 176.7056 96 N 3.8198 7.8426 116.2227 55.9564 38.7898 176.8561 97 S 4.0249 7.8345 116.0413 61.2733 63.0542 176.7865 98 L 3.4335 7.5323 123.2999 57.9042 41.8591 178.8110 99 V 3.3004 7.0063 117.5776 65.8899 31.2487 177.7320 100 L 3.9516 7.6656 119.6713 58.0078 41.5732 178.2329 101 N 4.5115 8.4586 117.1480 56.2728 38.7978 176.8250 102 F 3.8991 8.1936 119.0277 60.0505 39.2277 177.7092 103 V 3.6884 7.8303 117.6481 65.4518 31.1495 177.5941 104 E 4.1210 8.0681 118.0849 58.0898 29.6323 177.2290 105 K 4.3236 7.2078 116.4388 55.9419 32.8723 176.7785 106 E 3.7433 7.9516 117.0669 57.7573 26.8973 174.7723 107 D 4.8420 8.4235 114.5529 53.7805 41.8530 175.4973 108 L 5.0642 7.6173 116.0543 52.4856 45.5387 175.9568 109 S 4.7490 8.4636 117.0202 56.6564 65.0631 175.1429 110 Q 3.9417 8.6233 122.7022 59.3661 28.2785 178.6721 111 D 4.3917 7.6612 119.8500 57.1278 40.8103 178.4173 112 E 3.9262 8.7846 119.4142 59.4653 29.5861 178.9849 113 I 3.7283 7.8623 117.7396 64.4431 37.4116 177.6534 114 E 4.0074 8.1274 119.6936 59.1452 29.5960 178.0849 115 E 3.8743 7.6527 118.9892 59.5215 29.5775 178.7509 116 L 4.0600 7.6831 118.1505 57.9696 41.7489 179.6346 117 R 3.8854 7.7570 116.8627 59.6666 30.0630 178.6350 118 N 4.5934 7.6702 109.5658 54.5872 38.2782 175.6187 119 I 4.3178 7.8057 118.9841 61.4608 38.8401 176.4201 120 L 4.3888 8.2618 118.8116 55.1331 42.0309 176.5150 121 N 4.5903 7.8035 121.2172 53.3582 39.4099 174.0231 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 N 8.42 4.57 0.00 2.68 2.77 0.00 0.00 6.80 6.73 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 4 K 8.44 4.05 0.00 1.64 1.39 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.25 1.46 7.81 5 T 8.78 4.44 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 1.21 0.00 0.00 6 Y 8.30 4.84 0.00 2.87 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 7 E 8.91 4.70 0.00 2.07 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 2.36 0.00 8 I 7.87 4.17 0.74 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 0.25 0.17 0.39 0.00 0.00 9 S 8.75 4.35 0.00 3.98 3.86 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 10 S 8.92 4.40 0.00 4.18 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 11 A 8.17 4.35 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 12 E 8.19 3.80 0.00 2.19 1.87 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 2.28 2.34 0.00 13 W 8.72 4.45 0.00 3.52 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 14 E 8.20 4.37 0.00 2.19 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 0.00 2.90 2.94 0.00 15 V 7.93 3.57 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 0.86 0.00 0.00 0.84 0.00 0.00 *17 N 8.07 5.20 0.00 3.22 3.08 0.00 0.00 7.10 7.45 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 18 I 8.50 4.06 2.06 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.82 0.98 0.00 0.00 19 I 7.52 3.81 1.78 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.84 0.92 0.00 0.00 20 W 8.07 4.56 0.00 3.55 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 *22 K 8.04 4.24 0.00 1.98 2.09 0.00 1.95 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.56 7.81 23 K 8.86 4.24 0.00 2.00 2.01 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.56 7.81 24 Y 7.61 5.33 0.00 2.88 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 25 A 8.33 4.66 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.93 4.54 0.00 3.91 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 27 A 9.07 3.63 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 28 N 8.21 4.27 0.00 2.77 2.99 0.00 0.00 6.82 6.92 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 29 N 7.86 4.16 0.00 2.94 2.93 0.00 0.00 7.05 6.99 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 30 I 7.59 3.85 1.93 0.00 0.00 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 1.52 1.29 0.91 0.00 0.00 31 I 7.71 3.70 1.98 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 1.63 1.05 0.96 0.00 0.00 32 E 8.14 4.03 0.00 1.94 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 0.00 2.37 2.40 0.00 33 E 7.74 4.18 0.00 2.23 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 2.38 2.54 0.00 34 I 7.51 4.32 1.99 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.90 1.20 0.00 0.00 35 Q 8.70 4.53 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.51 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 *37 Q 7.76 4.21 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.72 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 38 K 7.81 4.34 0.00 1.69 1.04 0.00 0.85 0.00 0.00 1.23 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.26 1.15 7.81 39 D 7.51 4.61 0.00 2.45 2.32 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 0.00 0.00 0.00 0.00 40 W 7.99 5.04 0.00 3.45 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 41 S 8.26 4.82 0.00 3.89 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 42 P 0.00 4.38 0.00 2.30 2.32 0.00 3.77 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 43 K 7.87 4.08 0.00 1.81 1.86 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.60 7.81 44 T 7.87 3.81 4.28 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 0.91 0.00 0.00 45 I 7.87 3.56 1.84 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.88 0.84 0.00 0.00 46 R 7.49 3.70 0.00 2.02 2.03 0.00 3.08 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 47 T 7.91 3.77 4.40 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 1.14 0.00 0.00 48 L 7.84 3.86 0.00 1.61 1.52 0.23 0.93 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 49 I 7.62 3.50 1.84 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.49 0.12 0.00 0.00 50 T 8.31 3.87 4.40 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 1.26 0.00 0.00 51 R 8.71 3.87 0.00 1.92 1.95 0.00 3.26 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 52 L 7.97 4.17 0.00 1.96 1.76 0.70 0.51 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 53 Y 8.48 4.21 0.00 3.06 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 54 K 8.24 3.85 0.00 1.63 1.72 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.75 7.81 55 K 8.20 3.53 0.00 1.74 1.60 0.00 1.82 0.00 0.00 1.95 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.97 1.42 7.81 56 G 7.45 3.34 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 0.00 0.00 0.00 57 F 8.14 4.84 0.00 2.95 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 58 I 7.69 4.96 2.05 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.92 0.85 0.00 0.00 59 D 9.10 5.14 0.00 2.37 1.61 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 60 R 8.26 4.80 0.00 0.80 0.76 0.00 2.59 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.94 0.00 61 K 7.32 4.21 0.00 1.56 1.33 0.00 1.49 0.00 0.00 1.66 0.00 0.00 2.75 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.09 0.95 7.81 62 K 8.40 4.57 0.00 1.83 1.73 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.34 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.65 7.81 63 D 8.38 4.39 0.00 2.33 2.47 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 64 N 8.38 4.49 0.00 2.68 2.50 0.00 0.00 6.74 6.68 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 65 K 5.66 4.66 0.00 1.76 1.74 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.47 7.81 66 I 7.33 4.71 1.86 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 1.33 0.65 0.88 0.00 0.00 67 F 8.87 4.59 0.00 2.82 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 8.25 4.51 0.00 1.27 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.89 0.00 0.00 0.00 0.00 0.00 2.21 2.01 0.00 69 Y 10.16 5.49 0.00 2.91 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 70 Y 8.57 5.09 0.00 3.12 3.12 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 0.00 71 S 8.04 4.37 0.00 3.53 3.65 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 72 L 9.41 4.42 0.00 1.31 1.56 0.75 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 73 V 7.59 4.23 2.24 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 0.92 0.00 0.00 0.97 0.00 0.00 74 E 8.66 4.45 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 2.46 2.31 0.00 75 E 9.92 3.82 0.00 1.80 1.60 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 1.81 1.47 0.00 76 S 8.91 3.94 0.00 4.08 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 77 D 7.93 4.46 0.00 2.95 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 78 I 8.67 4.07 2.08 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.48 1.49 0.00 0.00 79 K 8.11 4.22 0.00 1.83 1.80 0.00 1.47 0.00 0.00 1.52 0.00 0.00 2.82 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.80 1.44 7.81 80 Y 8.01 4.21 0.00 3.01 3.11 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 81 K 7.58 3.50 0.00 2.02 2.01 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.42 7.81 82 T 8.68 3.94 4.56 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 0.00 0.00 0.00 1.42 0.00 0.00 83 S 8.29 4.18 0.00 3.99 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 84 K 7.79 3.95 0.00 1.77 1.76 0.00 1.73 0.00 0.00 1.91 0.00 0.00 2.93 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.14 0.82 7.81 85 N 7.98 4.29 0.00 2.90 3.05 0.00 0.00 6.89 7.18 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 86 F 8.60 4.32 0.00 3.13 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 87 I 8.74 3.71 2.00 0.00 0.00 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 1.75 0.98 1.06 0.00 0.00 88 N 8.06 4.36 0.00 2.90 2.92 0.00 0.00 7.15 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 89 K 7.47 4.15 0.00 1.88 2.07 0.00 1.63 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.33 7.81 90 V 7.87 3.61 1.59 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 0.21 0.00 0.00 0.19 0.00 0.00 91 Y 7.66 3.97 0.00 3.18 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 92 K 8.83 4.17 0.00 1.76 1.88 0.00 1.74 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 1.41 1.37 7.81 93 G 8.18 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 94 G 8.20 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 95 F 8.99 4.48 0.00 2.96 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 96 N 7.84 3.82 0.00 2.83 2.66 0.00 0.00 6.69 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 97 S 7.83 4.02 0.00 4.02 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 98 L 7.53 3.43 0.00 1.09 1.54 0.84 0.39 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 99 V 7.01 3.30 1.77 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 0.76 0.00 0.00 0.27 0.00 0.00 100 L 7.67 3.95 0.00 1.74 1.83 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 101 N 8.46 4.51 0.00 3.17 3.19 0.00 0.00 7.20 8.55 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 0.00 102 F 8.19 3.90 0.00 3.13 3.12 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 0.00 103 V 7.83 3.69 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 1.04 0.00 0.00 1.03 0.00 0.00 104 E 8.07 4.12 0.00 2.07 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 2.33 2.33 0.00 105 K 7.21 4.32 0.00 1.69 1.66 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.43 7.81 106 E 7.95 3.74 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 2.28 2.23 0.00 107 D 8.42 4.84 0.00 2.45 2.71 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 0.00 108 L 7.62 5.06 0.00 1.64 1.52 0.95 1.00 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 0.00 109 S 8.46 4.75 0.00 3.97 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 0.00 110 Q 8.62 3.94 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 111 D 7.66 4.39 0.00 2.59 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 0.00 112 E 8.78 3.93 0.00 2.12 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 2.32 2.35 0.00 113 I 7.86 3.73 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 1.53 0.62 0.91 0.00 0.00 114 E 8.13 4.01 0.00 2.19 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 2.30 2.35 0.00 115 E 7.65 3.87 0.00 2.11 2.12 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 2.31 2.39 0.00 116 L 7.68 4.06 0.00 1.85 1.72 0.90 1.08 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 0.00 117 R 7.76 3.89 0.00 2.01 1.98 0.00 3.12 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 118 N 7.67 4.59 0.00 2.88 2.86 0.00 0.00 7.01 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 0.00 119 I 7.81 4.32 2.03 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 1.54 0.83 0.90 0.00 0.00 120 L 8.26 4.39 0.00 1.76 1.70 0.91 1.00 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 0.00 121 N 7.80 4.59 0.00 2.64 2.64 0.00 0.00 6.82 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 * Residues marked with a * may have inaccurate shift predictions.