NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 27 R 4.3098 8.1085 119.0719 56.2590 31.2785 175.7167 28 A 4.4027 7.7045 118.1846 52.5772 18.9127 179.1175 29 A 4.0844 8.6425 125.4743 56.6511 19.3920 178.6828 30 G 3.4231 8.2331 103.3413 47.5971 0.0000 175.3291 31 A 3.9677 7.6959 122.9468 54.8251 18.2109 179.4230 32 A 4.0514 8.7952 122.5138 55.7339 18.8367 180.2315 33 T 3.8112 7.9834 115.0474 67.5323 68.1418 178.5638 34 V 3.8669 8.2037 125.0530 65.7141 31.5407 180.4172 35 L 4.2687 8.2145 124.0177 60.2485 40.9426 182.4103 36 L 4.1487 8.7289 124.2531 59.3285 40.7608 181.4290 37 V 4.0235 7.7760 120.2691 64.8994 30.4333 178.6362 38 I 3.7692 7.4958 119.9868 64.3052 37.0291 178.3414 39 V 3.8010 7.6416 118.9707 65.9272 31.1482 178.0303 40 L 4.0091 8.5005 119.0896 57.7339 41.2708 179.5587 41 L 4.0163 7.4356 117.2100 57.8559 41.9937 178.7136 42 A 4.2630 9.2139 121.4646 55.6866 18.1358 179.3655 43 G 3.9351 8.9044 103.6721 48.7039 0.0000 175.5527 44 S 3.9092 8.8116 118.2584 61.1784 62.7648 176.6939 45 Y 4.4126 8.2241 122.1241 60.6968 38.5820 177.5511 46 L 3.8931 8.1577 119.2617 57.5149 41.8662 178.7368 47 A 3.9579 8.9975 122.1209 55.6274 18.2224 179.9827 48 V 3.7107 7.3512 116.2567 65.0836 31.2818 178.0669 49 L 3.8284 7.2662 119.4741 57.7584 41.9731 178.4684 50 A 4.1628 8.5948 121.0747 55.1967 18.7944 179.1972 51 E 4.0081 8.0908 117.1762 58.6050 29.6948 178.1469 52 R 4.1604 7.1954 117.4024 57.1581 30.7888 176.5524 53 G 3.9086 8.8523 107.7776 45.4098 0.0000 173.5583 54 A 4.2415 7.5265 122.5851 49.8691 18.0247 174.5668 55 P 4.3268 0.0000 0.0000 65.9922 31.4967 177.1530 56 G 3.9349 8.9522 111.9575 44.9825 0.0000 173.3769 57 A 4.0458 7.5754 122.5747 52.3924 18.7551 177.3360 58 Q 4.3895 8.1566 118.4652 55.8760 31.1972 176.6926 59 L 4.1866 7.2914 122.2227 53.7968 40.2777 176.2989 60 I 4.5309 7.2301 109.9956 59.1584 39.1581 176.5503 61 T 4.2217 7.4684 110.3853 59.7940 72.4342 172.9004 62 Y 4.3970 7.8674 123.0284 61.4165 37.7963 176.9078 63 P 4.3367 0.0000 0.0000 66.1646 31.6881 178.3832 64 R 4.2046 8.0297 113.3418 59.6854 29.6216 178.2628 65 A 4.0239 8.2025 122.2887 54.9981 18.3598 179.3915 66 L 4.7162 8.3966 119.9805 57.6833 42.3270 178.9444 67 W 4.5101 9.2266 128.7124 59.6435 30.5146 177.9034 68 W 3.8929 8.3057 128.6379 60.3923 30.4447 177.7481 69 S 3.1570 8.8810 114.6936 61.0492 61.9724 176.7606 70 V 3.5336 7.0077 120.7802 65.6599 31.5527 177.8444 71 E 4.3238 7.1266 117.9832 58.7030 29.1222 179.3345 72 T 3.5753 7.5370 117.0755 66.4250 68.5015 176.7985 73 A 4.0181 7.7864 122.4777 54.3456 18.0858 178.6166 74 T 3.8561 8.0767 107.6897 60.8776 68.9992 175.8407 75 T 3.3431 7.4534 109.9270 62.3692 68.4252 173.1946 76 V 3.0544 7.5302 122.2279 65.2003 31.5288 177.2440 77 G 3.6211 7.4543 101.3321 47.1084 0.0000 173.4147 78 Y 4.2599 9.7128 128.6591 57.7982 38.5946 177.7545 79 G 4.2412 8.6494 106.8629 45.3516 0.0000 173.9845 80 D 4.6524 8.2636 119.4480 55.8011 39.7975 176.4439 81 L 4.5703 7.4520 116.9452 53.3298 45.6830 174.0020 82 Y 4.7632 7.2688 117.9349 56.5451 39.6308 170.9835 83 P 5.4271 0.0000 0.0000 61.2513 32.9341 175.9009 84 V 4.4974 9.1528 110.6744 60.2345 33.8309 176.1266 85 T 4.5693 7.7290 111.9068 60.0597 71.3349 175.1677 86 L 3.5853 8.0838 126.6543 57.8704 42.5656 179.2136 87 W 4.4142 8.0474 118.6365 59.5646 29.1873 178.5292 88 G 3.7628 8.0893 105.2630 48.2170 0.0000 175.8553 89 R 4.1047 8.4102 120.1662 59.0159 29.8282 178.9282 90 C 4.2478 7.7134 115.8776 62.6206 28.3199 175.8463 91 V 3.8875 8.7880 120.0963 66.6143 31.2017 177.1067 92 A 4.2820 8.7468 120.2256 55.2434 18.2237 179.4515 93 V 3.6142 8.3759 114.8837 66.1421 31.7009 179.0244 94 V 3.7241 7.6893 117.9714 65.5144 31.3073 178.3779 95 V 3.5650 8.3226 118.5507 66.6228 31.3487 177.2076 96 M 3.8484 8.1498 117.4375 59.3919 31.5604 178.1993 97 V 3.4241 8.2437 115.3515 66.4559 31.5400 178.0309 98 A 4.0621 8.3365 119.2994 55.5046 18.5090 180.0763 99 G 3.7213 8.3923 105.6754 47.4816 0.0000 176.0988 100 I 3.7783 8.4234 123.2048 64.3023 37.1142 178.5321 101 T 3.8430 8.8718 117.6608 66.9193 68.3001 176.3091 102 S 4.0401 8.9393 117.9039 62.2314 62.9834 177.1954 103 F 4.1481 8.7986 120.2348 60.5291 38.5401 177.6099 104 G 3.7060 8.3687 108.4298 48.1218 0.0000 176.0791 105 L 4.0739 8.2944 127.2710 59.7093 40.8787 182.9379 106 V 3.8806 7.8772 121.4313 66.1599 31.3969 180.8627 107 T 4.3350 7.9170 113.0064 66.2886 68.4257 180.9471 108 A 4.2016 8.6020 124.2999 55.0008 18.2254 179.5259 109 A 3.9965 8.4042 121.7287 56.0891 18.2881 180.5399 110 L 4.0024 7.4718 118.7971 59.4544 40.9222 180.7907 111 A 4.4453 7.6682 121.7789 55.8931 18.7603 180.3896 112 T 4.1158 7.8579 115.5206 66.6467 68.4484 180.2826 *113 W 4.5525 7.7946 120.8218 56.6923 28.2000 178.8439 *114 F 4.3671 7.8303 122.9897 58.2496 38.6277 177.8402 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 27 R 8.11 4.31 0.00 1.75 1.96 0.00 3.21 0.00 0.00 3.33 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.21 0.00 28 A 7.70 4.40 1.31 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 0.00 0.00 0.00 29 A 8.64 4.08 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 30 G 8.23 3.42 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 0.00 0.00 0.00 0.00 31 A 7.70 3.97 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 32 A 8.80 4.05 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 33 T 7.98 3.81 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 34 V 8.20 3.87 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 0.71 0.00 0.00 0.93 0.00 0.00 35 L 8.21 4.27 0.00 1.68 1.75 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.73 4.15 0.00 1.59 1.70 0.92 0.07 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 37 V 7.78 4.02 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 0.78 0.00 0.00 0.93 0.00 0.00 38 I 7.50 3.77 2.07 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 1.40 0.97 0.91 0.00 0.00 39 V 7.64 3.80 2.19 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 1.07 0.00 0.00 0.98 0.00 0.00 40 L 8.50 4.01 0.00 1.89 1.75 0.94 0.59 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 41 L 7.44 4.02 0.00 1.78 1.74 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 42 A 9.21 4.26 1.46 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 0.00 0.00 43 G 8.90 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 44 S 8.81 3.91 0.00 4.07 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 45 Y 8.22 4.41 0.00 3.09 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 46 L 8.16 3.89 0.00 1.85 1.76 1.03 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 47 A 9.00 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.35 3.71 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 0.75 0.00 0.00 0.82 0.00 0.00 49 L 7.27 3.83 0.00 1.42 1.68 0.81 1.15 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 50 A 8.59 4.16 1.38 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 51 E 8.09 4.01 0.00 2.05 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 2.24 2.20 0.00 52 R 7.20 4.16 0.00 1.88 1.79 0.00 3.01 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 53 G 8.85 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 0.00 0.00 0.00 54 A 7.53 4.24 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 55 P 0.00 4.33 0.00 2.04 2.04 0.00 3.63 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 56 G 8.95 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 57 A 7.58 4.05 1.27 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 0.00 0.00 0.00 58 Q 8.16 4.39 0.00 1.83 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.51 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 59 L 7.29 4.19 0.00 1.37 1.25 0.33 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.23 4.53 1.73 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.73 0.84 0.00 0.00 61 T 7.47 4.22 4.14 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 1.09 0.00 0.00 62 Y 7.87 4.40 0.00 3.16 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 63 P 0.00 4.34 0.00 2.07 2.20 0.00 3.67 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.30 0.00 64 R 8.03 4.20 0.00 2.17 2.25 0.00 2.96 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.77 0.00 65 A 8.20 4.02 1.49 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 0.00 0.00 66 L 8.40 4.72 0.00 2.03 2.16 1.04 0.88 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 67 W 9.23 4.51 0.00 3.48 3.30 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 68 W 8.31 3.89 0.00 3.52 3.49 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 69 S 8.88 3.16 0.00 4.00 4.32 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 70 V 7.01 3.53 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 1.09 0.00 0.00 1.03 0.00 0.00 71 E 7.13 4.32 0.00 2.09 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 1.69 1.94 0.00 72 T 7.54 3.58 3.52 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 0.00 0.00 0.00 0.84 0.00 0.00 73 A 7.79 4.02 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 74 T 8.08 3.86 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 1.21 0.00 0.00 75 T 7.45 3.34 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 1.07 0.00 0.00 76 V 7.53 3.05 1.79 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 0.02 0.00 0.00 0.79 0.00 0.00 77 G 7.45 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 0.00 0.00 0.00 0.00 78 Y 9.71 4.26 0.00 3.22 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 79 G 8.65 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 D 8.26 4.65 0.00 2.92 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 81 L 7.45 4.57 0.00 1.87 1.56 1.17 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.27 4.76 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 83 P 0.00 5.43 0.00 2.23 1.87 0.00 3.68 0.00 0.00 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 84 V 9.15 4.50 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 0.90 0.00 0.00 0.96 0.00 0.00 85 T 7.73 4.57 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 1.25 0.00 0.00 86 L 8.08 3.59 0.00 1.55 1.42 0.45 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 87 W 8.05 4.41 0.00 3.45 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 88 G 8.09 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 0.00 0.00 0.00 89 R 8.41 4.10 0.00 2.03 2.01 0.00 3.12 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.84 0.00 90 C 7.71 4.25 0.00 3.42 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 91 V 8.79 3.89 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 1.28 0.00 0.00 1.18 0.00 0.00 92 A 8.75 4.28 1.70 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 0.00 0.00 93 V 8.38 3.61 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 1.03 0.00 0.00 94 V 7.69 3.72 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 0.99 0.00 0.00 1.05 0.00 0.00 95 V 8.32 3.56 1.95 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 0.95 0.00 0.00 1.06 0.00 0.00 96 M 8.15 3.85 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.53 0.00 97 V 8.24 3.42 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 1.02 0.00 0.00 1.01 0.00 0.00 98 A 8.34 4.06 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 99 G 8.39 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.42 3.78 2.00 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 1.48 0.82 0.91 0.00 0.00 101 T 8.87 3.84 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 1.22 0.00 0.00 102 S 8.94 4.04 0.00 3.89 3.72 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 0.00 0.00 0.00 103 F 8.80 4.15 0.00 3.17 3.08 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 0.00 104 G 8.37 3.71 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 0.00 105 L 8.29 4.07 0.00 1.68 1.71 0.92 1.08 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 0.00 106 V 7.88 3.88 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 0.90 0.00 0.00 0.93 0.00 0.00 107 T 7.92 4.34 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 0.00 108 A 8.60 4.20 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 0.00 109 A 8.40 4.00 1.38 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 0.00 110 L 7.47 4.00 0.00 1.75 1.61 0.92 0.79 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 0.00 111 A 7.67 4.45 1.32 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 0.00 0.00 112 T 7.86 4.12 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 *113 W 7.79 4.55 0.00 2.51 2.19 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 *114 F 7.83 4.37 0.00 2.28 2.00 0.00 0.00 0.00 0.00 0.00 0.00 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.