NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2143 8.1733 120.0817 56.2999 34.6911 173.9543 3 I 4.6880 8.5402 122.7342 58.8967 39.5290 169.3600 4 V 5.0982 9.1538 128.1351 61.1404 34.9974 174.6080 5 V 5.3767 8.1150 126.6641 59.1929 35.1037 173.3785 *7 G 4.3670 8.1523 105.7485 46.3060 0.0000 172.2348 8 D 5.8320 8.4035 118.2892 52.1821 40.7851 177.2588 9 S 4.6686 8.6882 116.6583 61.3317 62.5296 176.6625 10 D 4.3358 8.1697 120.6878 57.8771 40.6967 178.6296 11 T 4.0678 8.1806 115.9696 66.9904 68.4944 176.7646 12 V 3.6485 7.9369 119.9334 65.8203 31.5496 177.9623 13 V 3.6870 7.9193 118.2230 66.0960 31.3500 178.0126 14 G 3.7169 7.8986 105.1687 48.1959 0.0000 175.6042 15 F 3.9759 8.4427 120.5683 59.8497 38.6872 178.1505 16 R 3.9974 8.2975 118.1050 59.2085 29.7208 178.9756 17 L 4.0009 7.9378 117.2699 57.0800 41.6677 178.5863 18 A 4.2776 7.7026 119.1934 51.9068 18.9229 177.1728 19 G 3.7208 7.4746 104.2839 45.0812 0.0000 175.1201 20 V 3.7959 7.4314 113.4270 61.7574 32.1271 175.9774 21 H 4.6043 8.5772 119.4859 58.3685 29.4431 175.9160 22 E 4.7662 8.0264 115.5230 54.6619 34.0527 174.4119 23 A 5.1356 8.0114 123.1434 50.4681 22.5557 174.9903 24 Y 4.5219 8.7399 118.0903 56.2623 41.5781 174.8815 25 E 4.8485 8.3932 123.2426 55.3102 32.2016 174.6177 26 Y 5.1724 8.9735 119.9098 56.9251 43.1529 174.2811 27 D 5.3787 8.7555 121.7014 52.0677 42.0461 176.0219 28 E 4.4801 8.5935 118.4998 56.5895 29.8560 177.2914 29 S 4.3525 8.6856 116.1159 58.1497 64.9845 175.0904 30 L 3.9870 8.4519 123.0653 58.1002 41.3941 179.7695 31 E 3.9568 8.0978 117.9123 59.4683 29.4873 179.1035 32 S 4.2105 7.9560 112.7210 61.5235 62.4005 176.3826 33 V 3.4350 7.8472 120.9368 65.8546 31.2356 177.6204 34 E 3.8591 8.2463 119.1517 59.2330 29.4617 179.0697 35 R 3.9094 8.1039 117.9850 59.1819 30.1690 178.8827 36 A 3.1864 7.6767 120.6577 54.5808 18.1360 179.5711 37 R 3.6774 7.8890 117.3637 59.8064 30.1530 178.6244 38 N 4.3441 8.1156 116.1722 55.8253 38.4015 177.4135 39 K 3.7418 8.2950 121.6297 59.3660 32.3741 178.4804 40 L 3.9176 8.4388 123.3318 58.9750 41.7254 179.8365 41 R 3.9474 7.5402 118.9358 61.1865 29.5419 180.1065 42 E 4.2384 8.0193 119.4500 59.4115 29.5921 178.9649 43 L 4.0279 8.1661 119.3296 57.7625 41.3908 179.5349 44 L 4.0740 7.7264 117.9855 57.0957 41.6163 178.3287 45 E 4.3564 7.7820 116.2441 55.7159 30.1555 176.3869 46 R 4.3367 7.0780 119.2767 55.5821 30.9277 176.3593 47 D 4.6566 8.7362 121.3992 55.3120 41.2768 176.4768 48 D 4.8188 8.0178 117.6404 52.6527 39.7907 175.6781 49 V 4.2977 7.8248 119.8137 61.5883 32.9696 174.8981 50 G 3.8898 8.9495 114.6833 46.8687 0.0000 173.2245 51 I 5.0303 7.4816 120.5199 59.4249 41.4515 174.4042 52 I 4.7725 8.8797 128.2438 59.5578 39.7759 174.4896 53 L 4.9287 9.3039 129.0063 53.1240 43.4872 175.5657 54 I 4.9346 8.6055 124.6536 58.7641 41.6043 174.9244 55 T 4.1900 8.4332 118.6914 61.4337 69.6868 174.4832 56 E 4.1319 8.7988 126.6427 58.9592 29.4818 179.6521 57 R 3.8872 7.9371 117.2267 59.2785 30.2314 178.5467 58 L 3.8912 7.6030 119.0294 58.1793 42.0784 178.7643 59 A 3.9881 8.1906 120.7665 55.4314 18.0600 179.6787 60 Q 4.0011 7.8737 115.5133 58.8844 28.8390 178.7155 61 R 4.0593 8.0130 118.9688 59.1898 30.1646 178.7849 62 I 3.8061 7.8623 119.2142 66.8709 37.6514 174.6283 63 G 3.7779 7.8758 104.5291 44.2308 0.0000 174.8568 64 S 4.2398 8.5521 119.9422 58.0043 61.9326 173.9825 65 L 4.1121 8.1938 125.5532 53.6242 42.0687 175.9873 66 P 4.3585 0.0000 0.0000 63.3733 31.6090 176.6467 67 E 4.4813 8.3726 120.3670 54.7019 28.4066 175.3492 68 V 4.5198 7.7501 116.7843 59.8381 35.3444 176.8909 69 K 4.3378 8.6186 123.1009 55.8049 32.3178 177.0235 70 F 4.6050 7.7117 117.8040 56.5142 42.1974 171.7423 71 P 2.9700 0.0000 0.0000 62.2096 32.3165 175.7014 72 I 3.8665 7.8122 122.0050 61.2345 38.2086 175.2153 73 I 4.8881 8.2961 127.2703 59.5413 39.2966 174.8103 74 L 4.7952 8.8608 127.3451 52.9358 45.0426 175.4479 75 Q 4.9993 8.4118 121.2063 54.4514 31.2502 174.6671 76 I 4.1132 8.5858 126.1084 59.6595 38.4579 174.2239 77 P 4.6080 0.0000 0.0000 62.6425 31.6830 176.6888 78 D 4.4762 8.5917 121.7360 56.6063 41.3159 178.1529 79 K 4.1121 8.1889 119.8632 57.5888 32.0892 182.3756 80 F 4.3421 8.4844 121.8860 57.3040 38.7690 175.9280 *87 D 4.5448 8.6087 127.6409 53.5489 41.4325 174.0787 88 I 4.0187 7.7665 121.0372 63.4326 36.0677 179.9427 89 L 4.4668 7.7973 119.6755 55.5895 41.6990 178.1513 90 R 4.0544 7.8591 122.4435 59.9347 30.0169 178.8203 91 D 4.4129 7.9752 120.6841 58.0903 39.9803 181.4060 92 V 3.8599 7.8371 121.5153 66.5907 31.5983 178.8555 93 V 3.6292 7.8187 119.1939 66.1114 31.2973 180.1279 94 R 4.1908 7.7496 120.1193 60.0017 30.0937 179.8575 95 R 4.0862 7.8941 118.7588 61.5473 29.4390 179.9972 96 A 4.3041 8.0759 123.1804 55.4151 18.4813 178.1480 97 I 3.9696 8.0010 118.7245 59.9014 35.6547 178.0191 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 8.17 4.21 0.00 1.75 1.82 0.00 1.68 0.00 0.00 1.87 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.55 7.81 3 I 8.54 4.69 1.94 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 1.27 1.28 0.95 0.00 0.00 4 V 9.15 5.10 2.15 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 1.26 0.00 0.00 1.03 0.00 0.00 5 V 8.11 5.38 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 0.61 0.00 0.00 0.57 0.00 0.00 *7 G 8.15 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 5.83 0.00 2.87 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 9 S 8.69 4.67 0.00 3.89 3.97 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 10 D 8.17 4.34 0.00 2.94 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 11 T 8.18 4.07 4.45 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 0.00 0.00 0.00 1.23 0.00 0.00 12 V 7.94 3.65 2.29 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 0.97 0.00 0.00 1.00 0.00 0.00 13 V 7.92 3.69 2.28 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 0.96 0.00 0.00 1.02 0.00 0.00 14 G 7.90 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 15 F 8.44 3.98 0.00 3.20 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 16 R 8.30 4.00 0.00 2.16 1.97 0.00 3.10 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 17 L 7.94 4.00 0.00 1.77 1.71 0.91 0.58 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 18 A 7.70 4.28 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 19 G 7.47 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 20 V 7.43 3.80 2.27 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 0.92 0.00 0.00 1.04 0.00 0.00 21 H 8.58 4.60 0.00 3.18 3.35 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.03 4.77 0.00 1.89 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 2.25 2.33 0.00 23 A 8.01 5.14 1.06 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 0.00 0.00 0.00 0.00 0.00 24 Y 8.74 4.52 0.00 2.98 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 25 E 8.39 4.85 0.00 1.75 1.74 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 2.26 2.21 0.00 26 Y 8.97 5.17 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 27 D 8.76 5.38 0.00 2.76 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 28 E 8.59 4.48 0.00 1.99 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 2.27 2.31 0.00 29 S 8.69 4.35 0.00 4.02 4.03 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 30 L 8.45 3.99 0.00 1.71 1.76 0.92 0.88 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 31 E 8.10 3.96 0.00 2.03 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 2.41 2.37 0.00 32 S 7.96 4.21 0.00 4.05 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 33 V 7.85 3.44 2.18 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 0.94 0.00 0.00 0.95 0.00 0.00 34 E 8.25 3.86 0.00 2.20 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 0.00 2.29 2.37 0.00 35 R 8.10 3.91 0.00 2.23 2.15 0.00 3.29 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 36 A 7.68 3.19 0.24 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 37 R 7.89 3.68 0.00 1.93 2.09 0.00 3.20 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 38 N 8.12 4.34 0.00 2.88 2.80 0.00 0.00 6.71 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.30 3.74 0.00 1.83 1.85 0.00 0.61 0.00 0.00 1.20 0.00 0.00 2.75 0.00 0.00 2.24 0.00 0.00 0.00 0.00 1.09 1.19 7.81 40 L 8.44 3.92 0.00 1.70 1.73 0.87 0.95 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 41 R 7.54 3.95 0.00 1.95 1.84 0.00 3.32 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 42 E 8.02 4.24 0.00 2.08 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 0.00 2.27 2.32 0.00 43 L 8.17 4.03 0.00 1.79 1.69 0.91 0.62 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 44 L 7.73 4.07 0.00 1.80 1.73 0.90 0.88 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 45 E 7.78 4.36 0.00 2.10 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 2.30 2.45 0.00 46 R 7.08 4.34 0.00 1.92 2.11 0.00 3.18 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 47 D 8.74 4.66 0.00 2.69 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 48 D 8.02 4.82 0.00 2.78 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 49 V 7.82 4.30 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 0.82 0.00 0.00 0.97 0.00 0.00 50 G 8.95 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 0.00 0.00 0.00 51 I 7.48 5.03 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.85 0.87 0.00 0.00 52 I 8.88 4.77 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.77 0.89 0.00 0.00 53 L 9.30 4.93 0.00 1.33 1.34 1.01 0.46 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 54 I 8.61 4.93 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.55 0.89 0.00 0.00 55 T 8.43 4.19 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 1.24 0.00 0.00 56 E 8.80 4.13 0.00 2.20 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 2.32 2.23 0.00 57 R 7.94 3.89 0.00 1.91 1.97 0.00 3.21 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.87 0.00 58 L 7.60 3.89 0.00 1.79 1.79 0.84 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.19 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.87 4.00 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.67 0.00 61 R 8.01 4.06 0.00 1.90 1.96 0.00 3.32 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 1.81 1.81 0.00 62 I 7.86 3.81 1.95 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.52 0.84 0.00 0.00 63 G 7.88 3.78 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 0.00 0.00 0.00 64 S 8.55 4.24 0.00 3.86 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 65 L 8.19 4.11 0.00 1.59 1.58 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 66 P 0.00 4.36 0.00 2.16 2.04 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 67 E 8.37 4.48 0.00 1.95 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 0.00 2.23 2.36 0.00 68 V 7.75 4.52 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 0.71 0.00 0.00 0.92 0.00 0.00 69 K 8.62 4.34 0.00 1.77 1.71 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.32 0.99 7.81 70 F 7.71 4.60 0.00 2.98 2.89 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 71 P 0.00 2.97 0.00 1.85 1.98 0.00 3.81 0.00 0.00 3.69 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 72 I 7.81 3.87 1.71 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 1.16 0.22 0.86 0.00 0.00 73 I 8.30 4.89 1.82 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 1.27 0.70 0.86 0.00 0.00 74 L 8.86 4.80 0.00 1.55 1.48 0.88 1.00 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 75 Q 8.41 5.00 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.08 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 76 I 8.59 4.11 1.82 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.38 1.06 0.00 0.00 77 P 0.00 4.61 0.00 2.38 2.26 0.00 3.66 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 2.42 2.05 0.00 78 D 8.59 4.48 0.00 2.81 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 79 K 8.19 4.11 0.00 1.84 1.70 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.37 1.28 7.81 80 F 8.48 4.34 0.00 3.10 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 *87 D 8.61 4.54 0.00 2.72 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 88 I 7.77 4.02 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.54 0.91 0.00 0.00 89 L 7.80 4.47 0.00 1.70 1.64 0.92 0.87 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 90 R 7.86 4.05 0.00 1.98 1.94 0.00 3.14 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 91 D 7.98 4.41 0.00 2.73 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 92 V 7.84 3.86 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 0.95 0.00 0.00 0.92 0.00 0.00 93 V 7.82 3.63 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 0.76 0.00 0.00 0.93 0.00 0.00 94 R 7.75 4.19 0.00 1.74 2.04 0.00 3.20 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 95 R 7.89 4.09 0.00 1.93 1.85 0.00 3.27 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 96 A 8.08 4.30 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 97 I 8.00 3.97 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.75 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.