NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6827 8.2827 119.2058 53.2295 40.2381 175.0679 3 I 3.5435 8.1123 123.7623 63.2712 37.9594 176.1889 4 G 3.8244 8.8808 109.8839 47.1470 0.0000 174.3301 5 D 4.4991 7.6616 119.2410 56.1196 41.0000 177.1604 6 L 4.4310 7.5779 117.6537 55.3372 43.0443 177.6837 7 L 4.5867 6.8841 117.4201 54.6900 41.3886 177.6415 *13 K 4.3188 8.7675 125.0213 57.5002 33.3649 176.1296 14 D 4.8624 7.9943 115.0934 54.0813 40.9574 175.8819 15 Q 4.6052 7.6214 117.1034 55.1568 31.8644 175.2573 16 G 3.9181 8.9029 107.0341 46.4933 0.0000 172.1348 17 C 4.9744 7.8175 111.9108 53.1621 44.4928 172.7671 18 S 4.6935 8.4291 115.0403 57.1984 63.0731 174.5155 19 R 4.4511 8.4417 123.6160 55.7657 31.0023 175.4889 20 T 4.4911 7.6627 107.9034 59.6364 71.3102 173.2269 21 C 4.1498 8.5112 121.6517 56.8339 38.2468 173.0435 22 E 4.6150 8.7297 124.5624 55.4565 31.5674 176.4302 23 S 4.7511 8.1918 115.1350 57.2696 63.4456 172.0565 24 Q 4.3284 9.2365 128.4937 55.2959 32.7969 174.8691 25 F 3.9629 8.0594 123.0150 58.2564 36.6345 177.6553 26 C 4.2807 8.3592 117.8856 59.8079 40.4492 175.5475 27 T 4.2760 7.9375 105.8253 61.1882 69.3020 174.2209 28 I 4.2370 7.8360 124.4675 59.3280 36.6757 175.7250 29 A 4.0210 8.7273 129.0928 54.8565 18.1964 178.2403 30 P 4.3929 0.0000 0.0000 64.5383 31.5147 177.1499 31 L 4.4012 6.9822 116.1613 53.8852 42.8625 176.4325 32 L 4.4304 7.9288 122.0261 56.0835 43.1544 176.1108 33 R 4.8580 9.2289 124.3511 54.5981 34.0487 173.6350 34 Y 4.9653 8.9256 125.3288 56.6481 42.1630 175.3771 35 G 3.5754 8.7828 115.3757 46.5943 0.0000 174.7662 36 K 4.2430 9.2143 118.9194 56.0252 33.0303 176.7977 37 Y 4.4755 8.5708 114.6004 58.1047 40.4164 175.1845 38 C 4.6625 8.8679 118.5538 56.3522 40.4816 172.1688 39 G 4.7580 8.5539 112.6268 44.0979 0.0000 172.2110 40 I 3.8067 7.9175 123.5562 62.3302 37.9034 176.4131 41 L 3.6612 8.6221 124.7845 55.3163 38.8595 174.8103 42 Y 4.7107 7.5472 117.9444 56.4226 41.8588 172.8862 43 S 4.2103 7.8066 120.5057 56.5978 66.3480 173.0674 44 G 3.3266 7.2687 110.7025 45.3451 0.0000 174.3286 45 C 4.6750 8.4562 118.8595 55.5383 41.7340 171.8030 46 P 4.5129 0.0000 0.0000 64.6795 31.2287 177.2187 47 G 3.9893 9.0013 111.1085 45.2430 0.0000 173.3031 48 E 4.0800 7.8769 120.1973 55.8323 29.7249 176.8924 49 R 4.0772 8.5479 125.1153 55.3408 30.8219 174.4285 50 P 4.8519 0.0000 0.0000 63.1181 32.0008 177.0683 51 C 4.4662 9.0434 116.9514 59.2865 40.2903 172.9272 52 D 4.4921 7.5833 116.3752 51.8299 41.6110 175.3574 53 A 4.0269 8.7315 119.6912 55.6264 18.4507 179.5694 54 L 3.9253 8.0424 118.4190 58.4441 42.1579 178.4911 55 D 4.5856 9.0306 117.8517 57.4003 41.1638 178.0247 56 A 3.9172 8.2204 121.3130 55.2977 18.3429 178.9156 57 C 4.2277 8.1661 114.7435 60.5254 37.4634 175.8148 58 C 4.3021 8.1749 117.6442 59.9880 34.7625 175.7448 59 M 3.4604 8.2078 120.1862 58.4519 31.6759 178.3729 60 V 3.5356 7.5588 118.1861 66.2963 31.7074 177.3515 61 H 4.1183 8.1920 117.8380 59.3862 29.8130 176.7121 62 D 4.4199 8.6078 121.0111 57.9787 40.6795 178.7799 63 H 4.1967 8.1370 116.2766 58.7340 28.2568 176.8280 64 C 4.2050 8.6228 120.8614 59.8770 38.7260 175.8910 65 V 3.5623 7.8001 119.5080 66.1349 30.8960 177.3990 66 D 4.3913 7.8469 116.4758 57.2028 41.1679 177.4083 67 T 4.3442 7.9131 107.1768 61.9641 70.2368 174.4788 68 H 4.8271 7.7414 119.0855 55.9914 29.2499 173.4045 69 N 4.3008 8.8206 110.2927 54.8891 37.4655 172.9097 70 D 4.4653 7.9428 111.3931 55.0488 39.1531 174.5411 71 D 4.5320 7.8083 120.6261 53.1701 39.7069 176.1290 72 Y 4.4096 8.2848 122.9167 58.1568 38.4203 176.7392 73 L 4.4610 7.1853 119.5869 54.4173 42.3633 176.3999 74 N 4.3217 7.9751 119.4594 54.1099 39.7961 175.7559 75 T 3.9595 8.5228 118.7673 64.9933 69.0847 176.6556 76 M 3.9939 7.9913 120.9792 58.4000 32.2490 178.9468 77 C 4.1953 8.4485 116.5553 60.3660 37.6047 176.2530 78 N 4.4020 8.0675 117.2703 56.4274 38.1915 177.4635 79 E 4.0186 8.6322 120.4346 59.5012 29.4652 179.1963 80 N 4.3758 8.4343 116.6981 56.1374 38.5577 177.2367 81 L 3.9665 7.9343 121.4684 57.9393 42.1904 178.9174 82 L 3.9691 7.9147 118.9879 58.0760 41.3988 179.6884 83 S 4.1415 7.8012 113.5539 61.6549 63.1649 175.7609 84 C 4.4194 8.4092 121.1729 59.7742 37.8683 175.5602 85 I 3.6638 8.1633 121.7939 64.6181 36.5412 178.0038 86 D 4.5934 8.1431 117.5667 56.0304 40.6457 177.2172 87 R 4.5371 7.3723 116.1421 55.3681 31.1471 176.0796 88 V 3.6852 7.5305 119.1782 63.1260 31.7801 175.1940 89 S 4.4340 8.4957 120.0268 57.7378 65.6320 173.2327 90 G 3.7626 8.5933 106.3078 44.1282 0.0000 172.9095 91 A 4.1712 8.1204 120.6729 52.2432 18.9944 176.8076 92 T 4.6700 7.9397 114.4348 59.8818 70.0834 173.6546 93 F 4.6581 7.8118 116.2992 54.9861 38.9992 173.1496 94 P 4.1440 0.0000 0.0000 64.6086 31.2202 176.4697 95 G 3.7944 8.8809 108.8293 45.7962 0.0000 172.6224 96 N 4.0583 7.4228 118.5557 53.5522 38.5738 175.1283 97 K 4.1589 8.5481 125.6924 57.9478 32.6919 176.8538 98 C 4.6410 7.9979 116.4942 55.7175 41.2624 173.4386 99 N 4.5914 8.5192 121.0495 52.9071 39.2619 175.5524 100 V 3.7208 8.6347 128.0411 66.4958 31.7246 177.8252 101 G 3.6942 8.1591 104.5095 47.9076 0.0000 175.1241 102 Q 3.9422 8.3974 121.6736 59.2841 29.1628 178.3729 103 T 3.7966 8.1667 116.8397 66.5553 68.4117 176.3519 104 A 3.8991 8.1766 123.0289 55.4859 18.3152 179.9479 105 S 4.1016 7.9894 113.2178 61.4218 62.6722 177.0912 106 V 3.5626 7.6840 120.8053 66.0246 31.3341 178.1492 107 I 3.6979 7.7681 119.4986 64.3684 36.9637 178.2489 108 R 3.9800 8.3947 120.0660 59.4470 29.7912 178.6257 109 G 3.6537 8.2192 105.4260 47.8860 0.0000 175.7559 110 V 3.6336 7.5159 120.7518 65.8678 31.5068 178.2657 111 I 3.8379 7.9392 119.5375 64.2138 37.0428 178.1187 112 E 3.9931 8.7084 120.0177 59.8279 29.1951 179.6223 113 T 3.9597 7.8562 115.0910 66.6449 68.5603 176.6908 114 A 4.0554 8.1415 122.7353 54.9772 18.3019 179.8761 115 V 3.5553 8.1120 117.0425 66.0465 31.5492 178.0383 116 F 4.1284 8.2047 119.7086 61.3503 39.2874 176.8617 117 A 3.9367 8.4560 120.7738 54.9660 18.0079 179.8345 118 G 3.3124 8.0843 104.0504 47.8201 0.0000 175.8990 119 K 3.8742 7.9810 121.7486 59.1145 32.2039 179.3184 120 I 3.4374 7.4714 120.0217 64.4318 37.1677 178.3158 121 L 4.0912 7.7429 118.5290 56.8517 41.2172 178.4929 122 H 4.6621 7.3215 115.4196 57.5256 29.4658 177.1758 123 K 4.1159 8.0332 119.8919 59.1003 31.8915 179.0783 124 R 3.9845 7.6564 118.0837 59.2847 30.1695 176.5529 125 D 4.6282 7.4510 120.6025 54.4320 41.1728 176.1965 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 N 8.28 4.68 0.00 2.78 2.93 0.00 0.00 6.72 6.93 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 3 I 8.11 3.54 1.87 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 1.34 1.30 0.90 0.00 0.00 4 G 8.88 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 5 D 7.66 4.50 0.00 2.80 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 6 L 7.58 4.43 0.00 1.60 1.71 0.92 1.37 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 7 L 6.88 4.59 0.00 1.64 1.15 0.92 0.82 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 *13 K 8.77 4.32 0.00 1.74 1.87 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.48 7.81 14 D 7.99 4.86 0.00 2.67 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.62 4.61 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 16 G 8.90 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 0.00 0.00 0.00 17 C 7.82 4.97 0.00 2.94 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 18 S 8.43 4.69 0.00 3.72 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 19 R 8.44 4.45 0.00 1.75 1.83 0.00 3.17 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.50 0.00 20 T 7.66 4.49 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 1.18 0.00 0.00 21 C 8.51 4.15 0.00 2.42 1.52 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 0.00 22 E 8.73 4.62 0.00 1.81 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 0.00 2.51 2.36 0.00 23 S 8.19 4.75 0.00 3.85 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 24 Q 9.24 4.33 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.30 0.00 0.00 0.00 0.00 0.00 1.78 2.10 0.00 25 F 8.06 3.96 0.00 3.39 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 26 C 8.36 4.28 0.00 3.00 3.24 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 27 T 7.94 4.28 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 1.23 0.00 0.00 28 I 7.84 4.24 1.98 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 1.28 0.85 0.86 0.00 0.00 29 A 8.73 4.02 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 30 P 0.00 4.39 0.00 1.97 2.07 0.00 3.54 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.07 0.00 31 L 6.98 4.40 0.00 1.41 0.96 0.03 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.93 4.43 0.00 1.99 1.61 0.94 0.81 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 33 R 9.23 4.86 0.00 1.49 0.96 0.00 3.12 0.00 0.00 2.53 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 1.28 0.00 34 Y 8.93 4.97 0.00 3.14 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 35 G 8.78 3.58 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 0.00 0.00 0.00 36 K 9.21 4.24 0.00 1.34 1.22 0.00 1.71 0.00 0.00 1.40 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.19 7.81 37 Y 8.57 4.48 0.00 3.21 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 38 C 8.87 4.66 0.00 3.55 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 39 G 8.55 4.76 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 40 I 7.92 3.81 1.87 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 1.40 0.59 0.86 0.00 0.00 41 L 8.62 3.66 0.00 1.76 1.72 0.89 0.76 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 Y 7.55 4.71 0.00 2.97 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 43 S 7.81 4.21 0.00 3.82 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 44 G 7.27 3.33 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 0.00 45 C 8.46 4.67 0.00 2.86 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 46 P 0.00 4.51 0.00 2.05 2.05 0.00 3.68 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 2.04 2.13 0.00 47 G 9.00 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 48 E 7.88 4.08 0.00 2.10 1.91 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 2.43 2.46 0.00 49 R 8.55 4.08 0.00 1.80 1.86 0.00 3.26 0.00 0.00 3.30 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 50 P 0.00 4.85 0.00 2.33 2.03 0.00 3.84 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 51 C 9.04 4.47 0.00 2.74 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 52 D 7.58 4.49 0.00 3.04 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 53 A 8.73 4.03 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 54 L 8.04 3.93 0.00 1.80 1.99 0.85 0.61 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 55 D 9.03 4.59 0.00 3.27 2.99 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 0.00 0.00 0.00 56 A 8.22 3.92 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 57 C 8.17 4.23 0.00 3.22 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 58 C 8.17 4.30 0.00 3.33 3.43 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 0.00 59 M 8.21 3.46 0.00 1.80 0.77 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 2.19 0.00 60 V 7.56 3.54 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 0.93 0.00 0.00 61 H 8.19 4.12 0.00 3.27 3.48 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.61 4.42 0.00 2.88 2.72 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 63 H 8.14 4.20 0.00 3.32 3.34 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 C 8.62 4.21 0.00 3.09 3.22 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 0.00 0.00 0.00 0.00 65 V 7.80 3.56 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 1.05 0.00 0.00 0.88 0.00 0.00 66 D 7.85 4.39 0.00 2.81 2.86 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 67 T 7.91 4.34 4.19 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 1.22 0.00 0.00 68 H 7.74 4.83 0.00 3.33 3.28 0.00 5.96 0.00 0.00 0.00 0.00 8.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.82 4.30 0.00 2.81 2.86 0.00 0.00 7.28 8.47 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 70 D 7.94 4.47 0.00 2.96 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 71 D 7.81 4.53 0.00 2.82 2.63 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 0.00 0.00 0.00 0.00 72 Y 8.28 4.41 0.00 3.18 3.09 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 0.00 0.00 0.00 0.00 73 L 7.19 4.46 0.00 1.55 1.54 0.72 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 74 N 7.98 4.32 0.00 2.79 2.64 0.00 0.00 6.97 7.30 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 75 T 8.52 3.96 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 1.25 0.00 0.00 76 M 7.99 3.99 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.62 0.00 77 C 8.45 4.20 0.00 3.09 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 78 N 8.07 4.40 0.00 2.89 2.90 0.00 0.00 7.09 6.94 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 79 E 8.63 4.02 0.00 2.04 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 2.35 2.53 0.00 80 N 8.43 4.38 0.00 2.95 2.88 0.00 0.00 6.64 6.26 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 81 L 7.93 3.97 0.00 1.94 1.85 0.97 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 82 L 7.91 3.97 0.00 1.92 1.71 0.94 0.98 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 83 S 7.80 4.14 0.00 4.02 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 84 C 8.41 4.42 0.00 3.14 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 85 I 8.16 3.66 2.05 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 1.50 1.03 0.94 0.00 0.00 86 D 8.14 4.59 0.00 2.66 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 87 R 7.37 4.54 0.00 1.80 1.91 0.00 3.38 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 88 V 7.53 3.69 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 0.80 0.00 0.00 1.02 0.00 0.00 89 S 8.50 4.43 0.00 3.98 3.80 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 90 G 8.59 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 91 A 8.12 4.17 1.26 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 92 T 7.94 4.67 4.21 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 0.00 0.00 1.01 0.00 0.00 93 F 7.81 4.66 0.00 3.20 3.28 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 94 P 0.00 4.14 0.00 2.24 2.15 0.00 4.03 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 95 G 8.88 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 N 7.42 4.06 0.00 1.45 2.28 0.00 0.00 7.11 6.58 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 97 K 8.55 4.16 0.00 1.92 1.81 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.48 7.81 98 C 8.00 4.64 0.00 3.37 3.18 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 99 N 8.52 4.59 0.00 2.76 2.71 0.00 0.00 6.65 7.71 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 0.00 100 V 8.63 3.72 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 1.11 0.00 0.00 0.99 0.00 0.00 101 G 8.16 3.69 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 0.00 0.00 0.00 102 Q 8.40 3.94 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 103 T 8.17 3.80 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 0.90 0.00 0.00 104 A 8.18 3.90 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 0.00 105 S 7.99 4.10 0.00 4.01 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 0.00 106 V 7.68 3.56 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 1.03 0.00 0.00 0.98 0.00 0.00 107 I 7.77 3.70 1.95 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.79 0.88 0.00 0.00 108 R 8.39 3.98 0.00 1.98 2.03 0.00 3.09 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 109 G 8.22 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 0.00 0.00 0.00 110 V 7.52 3.63 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 1.05 0.00 0.00 0.94 0.00 0.00 111 I 7.94 3.84 1.87 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 1.80 0.64 0.99 0.00 0.00 112 E 8.71 3.99 0.00 2.13 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 2.34 2.55 0.00 113 T 7.86 3.96 4.50 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 0.00 0.00 0.00 1.29 0.00 0.00 114 A 8.14 4.06 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 0.00 115 V 8.11 3.56 2.30 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 1.11 0.00 0.00 1.05 0.00 0.00 116 F 8.20 4.13 0.00 3.19 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 0.00 117 A 8.46 3.94 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 0.00 118 G 8.08 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 0.00 119 K 7.98 3.87 0.00 1.88 1.78 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.57 7.81 120 I 7.47 3.44 1.63 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.35 0.73 0.00 0.00 121 L 7.74 4.09 0.00 1.48 1.59 0.83 1.08 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 0.00 122 H 7.32 4.66 0.00 3.01 3.28 0.00 5.68 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 K 8.03 4.12 0.00 1.66 1.84 0.00 1.68 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.63 7.81 124 R 7.66 3.98 0.00 1.81 2.01 0.00 3.27 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 125 D 7.45 4.63 0.00 2.89 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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.