NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3240 8.2993 120.1354 56.3377 33.2119 174.4517 3 K 4.4173 8.2318 122.7097 55.6807 35.5726 172.4482 4 A 4.7059 8.6494 121.4075 50.4904 21.6698 177.0538 5 V 4.6254 8.4990 122.8731 61.4344 33.3141 175.1382 6 I 4.1461 8.8200 130.3288 59.7261 38.5785 174.5751 7 N 4.7006 8.5345 127.6154 52.1441 38.5639 175.3788 8 G 3.5532 8.5965 111.8683 47.3858 0.0000 171.3000 9 E 4.4784 8.2859 120.4912 56.4223 31.1980 176.4044 10 Q 4.1057 8.1191 118.2718 56.9204 29.4983 175.3731 11 I 3.9913 7.4171 118.5506 61.0464 37.0290 175.6625 12 R 4.1843 8.8321 126.2154 58.1103 30.6945 177.4128 13 S 4.6844 7.4801 110.7856 55.5957 67.4718 174.4763 14 I 3.7029 8.3364 121.4239 64.4325 37.5041 178.0314 15 S 4.1907 8.0319 115.5297 61.7497 62.7733 176.2000 16 D 4.3550 8.0342 121.1478 57.0619 40.4075 178.6435 17 L 3.9269 7.9277 120.9192 58.6267 42.1355 178.8693 18 H 4.3895 8.4806 116.2395 58.7900 28.6174 177.6071 19 Q 4.0439 8.5690 121.8768 59.4985 28.9026 178.5511 20 T 3.8755 8.0230 116.7192 66.6662 68.5091 176.6886 21 L 4.0978 8.2470 121.1347 57.5238 41.6264 179.2797 22 K 3.4612 8.5547 119.9059 59.6372 32.2519 178.9521 23 K 4.0129 7.9697 118.3088 59.4107 31.8723 179.3483 24 E 4.1121 8.5695 118.2883 58.6429 29.4798 178.3887 25 L 4.3874 7.9105 115.8934 53.2407 42.9016 175.8508 26 A 3.6646 7.5515 119.4556 53.1120 16.2068 177.7925 27 L 3.9270 7.6553 120.2463 53.9756 42.7238 176.1839 28 P 3.7882 0.0000 0.0000 62.1189 31.3534 177.2920 29 E 3.8067 8.3921 118.1095 59.3959 29.4219 177.3832 30 Y 4.3427 7.3173 114.7188 57.2458 38.6188 174.2975 31 Y 4.0390 7.6686 122.5670 57.5229 38.6071 177.0016 32 G 3.3072 8.3937 115.8875 45.8120 0.0000 172.4496 33 E 2.9829 5.9000 118.6545 55.9521 27.3950 172.7208 34 N 4.6584 6.4820 115.1564 50.9915 41.7780 174.9332 35 L 4.1031 8.4067 119.4665 57.7862 41.6214 179.3429 36 A 4.0911 8.1198 120.1027 55.2282 18.2631 179.3903 37 A 3.9964 8.5716 119.3615 55.0720 18.4470 179.5954 38 L 4.0636 8.1076 118.8901 58.0932 42.2543 178.7340 39 W 4.2469 8.5719 128.6740 60.7848 30.5635 177.1977 40 D 4.2830 8.5703 117.9906 57.7481 40.5493 178.1320 41 C 4.2639 8.5437 117.4797 62.8183 27.8639 176.1156 42 L 3.9687 7.7744 120.0860 57.4169 41.2620 178.8503 43 T 4.3032 7.4272 108.0116 62.4465 69.6121 175.9341 44 G 4.2615 8.2324 111.9860 43.1895 0.0000 172.9703 45 W 5.0479 7.9660 128.9690 58.3268 38.2323 174.8969 46 V 3.7333 7.8267 111.8269 61.0174 31.5533 176.0375 47 E 4.0064 8.1536 123.2653 56.0676 30.2903 175.4251 48 Y 5.0163 7.8562 120.4124 55.0312 41.5062 173.8043 49 P 4.9434 0.0000 0.0000 63.1082 32.4812 175.0893 50 L 4.8427 9.0725 122.6317 53.3234 45.4623 175.3892 51 V 4.7224 8.3998 124.5752 61.2464 34.4316 173.3414 52 L 4.9211 9.0607 131.5543 53.3397 44.1414 174.4977 53 E 4.8797 9.5046 128.0134 54.5868 31.6278 174.5205 54 W 4.8073 9.2503 135.0000 56.0400 30.4804 173.4965 55 R 4.0025 8.4863 124.9819 55.7323 31.0997 175.9926 56 Q 3.7707 8.1237 124.8146 56.7568 26.5494 173.4583 57 F 3.8481 8.4185 118.3073 58.2743 40.4820 174.7431 *67 G 4.0075 8.4749 112.9220 45.7670 0.0000 175.1947 68 A 4.2558 7.8891 122.1063 54.3322 18.4811 179.1346 69 E 4.1088 8.3565 117.4409 59.7362 29.6123 178.9330 70 S 4.1718 8.2086 113.4787 61.6212 63.1622 176.6027 71 V 3.8801 7.8263 120.8994 66.0359 31.4089 177.6147 72 L 3.5798 8.1684 120.2416 58.3508 41.7959 178.6982 73 Q 3.9589 8.4339 119.4741 59.2460 28.8300 178.6334 74 V 3.9571 7.8804 119.4271 65.9954 31.4719 178.0805 75 F 4.2121 8.1822 117.1978 60.5219 38.7297 177.7515 76 R 3.9662 8.3748 117.9014 59.2028 29.8672 178.8653 77 E 4.0080 8.8734 118.5413 59.3924 29.6302 179.1751 78 A 4.1873 8.9917 121.0899 55.2001 18.4813 179.5016 79 K 4.1004 8.6863 119.3322 59.2085 32.0851 178.9051 80 A 4.0889 8.2245 119.8464 54.7640 18.3458 178.7020 81 E 4.1921 8.1767 116.8205 56.9676 29.8558 176.8591 82 G 3.9488 7.5850 105.3538 45.4584 0.0000 173.9494 83 C 3.7626 7.9951 118.5532 59.3710 29.4795 173.1636 84 D 4.7668 7.5072 122.9554 53.1412 39.3852 173.3947 85 I 5.1758 7.6472 120.6461 59.2454 40.6158 174.8856 86 T 4.5726 9.0150 123.7413 61.9224 70.7290 173.2010 87 I 4.7934 8.3722 127.3256 59.5813 39.4472 175.1397 88 I 4.2903 9.0231 127.9551 59.7241 39.4050 174.9918 89 L 5.0589 8.5991 128.8556 53.3458 42.2349 177.0276 90 S 4.4727 8.5454 118.8625 58.2095 63.2147 174.1522 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 K 8.30 4.32 0.00 1.77 1.84 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.38 7.81 3 K 8.23 4.42 0.00 1.98 1.79 0.00 1.53 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.52 7.81 4 A 8.65 4.71 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 5 V 8.50 4.63 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 0.84 0.00 0.00 0.99 0.00 0.00 6 I 8.82 4.15 1.75 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.31 0.71 0.00 0.00 7 N 8.53 4.70 0.00 2.72 2.65 0.00 0.00 6.99 7.90 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 8 G 8.60 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 9 E 8.29 4.48 0.00 1.84 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 0.00 2.18 2.21 0.00 10 Q 8.12 4.11 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 11 I 7.42 3.99 1.73 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.73 0.89 0.00 0.00 12 R 8.83 4.18 0.00 1.80 1.96 0.00 3.20 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 13 S 7.48 4.68 0.00 3.98 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 14 I 8.34 3.70 1.91 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 1.72 1.31 0.95 0.00 0.00 15 S 8.03 4.19 0.00 3.92 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 16 D 8.03 4.35 0.00 2.93 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 17 L 7.93 3.93 0.00 1.86 1.81 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.48 4.39 0.00 3.44 3.50 0.00 5.68 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.57 4.04 0.00 2.31 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 20 T 8.02 3.88 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 1.21 0.00 0.00 21 L 8.25 4.10 0.00 1.94 1.77 1.18 1.42 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 22 K 8.55 3.46 0.00 1.96 2.01 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.38 1.36 7.81 23 K 7.97 4.01 0.00 1.83 1.83 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.60 1.62 7.81 24 E 8.57 4.11 0.00 1.91 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 2.58 2.51 0.00 25 L 7.91 4.39 0.00 1.73 1.70 1.17 0.76 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 26 A 7.55 3.66 1.42 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 27 L 7.66 3.93 0.00 1.11 0.87 -0.04 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 3.79 0.00 0.49 0.49 0.00 2.78 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.49 0.00 29 E 8.39 3.81 0.00 2.07 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 2.32 2.36 0.00 30 Y 7.32 4.34 0.00 3.00 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 31 Y 7.67 4.04 0.00 2.85 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 32 G 8.39 3.31 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 0.00 33 E 5.90 2.98 0.00 1.92 1.81 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 2.29 2.07 0.00 34 N 6.48 4.66 0.00 2.88 2.77 0.00 0.00 6.12 6.67 0.00 0.00 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 L 8.41 4.10 0.00 1.75 1.81 0.96 1.04 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 36 A 8.12 4.09 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 37 A 8.57 4.00 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 38 L 8.11 4.06 0.00 2.06 1.96 0.76 1.04 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 39 W 8.57 4.25 0.00 3.42 3.32 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 D 8.57 4.28 0.00 3.00 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 41 C 8.54 4.26 0.00 3.09 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 42 L 7.77 3.97 0.00 1.47 1.64 0.36 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.43 4.30 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 44 G 8.23 4.26 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 0.00 45 W 7.97 5.05 0.00 3.39 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 46 V 7.83 3.73 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 0.72 0.00 0.00 0.42 0.00 0.00 47 E 8.15 4.01 0.00 1.78 1.69 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 2.20 2.26 0.00 48 Y 7.86 5.02 0.00 2.99 2.76 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 49 P 0.00 4.94 0.00 2.14 2.39 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 50 L 9.07 4.84 0.00 1.84 1.83 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.40 4.72 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 0.94 0.00 0.00 0.96 0.00 0.00 52 L 9.06 4.92 0.00 1.51 1.30 0.80 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 53 E 9.50 4.88 0.00 2.12 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 2.24 2.24 0.00 54 W 9.25 4.81 0.00 3.33 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 55 R 8.49 4.00 0.00 1.96 1.75 0.00 3.28 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 56 Q 8.12 3.77 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.50 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 57 F 8.42 3.85 0.00 3.49 3.27 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 *67 G 8.47 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 0.00 0.00 0.00 68 A 7.89 4.26 1.41 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 0.00 0.00 0.00 69 E 8.36 4.11 0.00 2.26 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 2.48 2.55 0.00 70 S 8.21 4.17 0.00 3.96 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 71 V 7.83 3.88 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 1.48 0.00 0.00 1.13 0.00 0.00 72 L 8.17 3.58 0.00 0.84 1.67 0.15 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 8.43 3.96 0.00 2.21 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.55 2.38 0.00 74 V 7.88 3.96 2.22 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 1.19 0.00 0.00 1.01 0.00 0.00 75 F 8.18 4.21 0.00 3.21 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 76 R 8.37 3.97 0.00 2.00 1.98 0.00 3.26 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 77 E 8.87 4.01 0.00 2.25 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 2.26 2.39 0.00 78 A 8.99 4.19 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 79 K 8.69 4.10 0.00 1.95 2.05 0.00 1.84 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.32 7.81 80 A 8.22 4.09 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 81 E 8.18 4.19 0.00 2.42 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 0.00 2.44 2.44 0.00 82 G 7.58 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 83 C 8.00 3.76 0.00 2.72 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 0.00 0.00 0.00 84 D 7.51 4.77 0.00 2.57 2.40 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 85 I 7.65 5.18 1.94 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 1.70 0.88 1.07 0.00 0.00 86 T 9.02 4.57 4.26 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 1.21 0.00 0.00 87 I 8.37 4.79 1.78 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 1.14 0.51 0.69 0.00 0.00 88 I 9.02 4.29 1.89 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 1.23 0.79 0.93 0.00 0.00 89 L 8.60 5.06 0.00 1.45 1.61 0.54 0.62 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 90 S 8.55 4.47 0.00 3.85 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 * Residues marked with a * may have inaccurate shift predictions.