NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.3815 8.0433 122.6810 54.7597 43.5006 175.5029 4 I 4.6028 7.9922 121.9418 59.7751 38.5765 170.1189 5 V 4.3597 9.6162 129.5612 61.0912 34.5188 173.6664 6 N 5.0965 8.8774 125.8197 52.1850 40.3066 174.0760 7 V 4.7469 8.5172 124.7683 61.3457 33.6924 174.4255 8 I 5.0334 9.1078 129.0465 59.6174 40.4681 174.1129 9 N 5.4049 9.3132 125.0765 51.6632 41.0345 175.2996 10 G 4.2399 8.9988 115.3028 44.3484 0.0000 171.4162 11 P 4.4771 0.0000 0.0000 64.2195 31.8985 177.1146 12 N 4.4113 9.2399 117.1401 53.9239 37.2850 175.8619 13 L 4.2969 7.6046 117.4822 55.8953 42.0932 177.6882 14 G 3.7912 7.9975 106.2056 46.1259 0.0000 174.1495 15 R 4.6025 7.6224 118.7883 55.6416 30.9230 175.9974 16 L 4.2565 7.6490 118.5031 56.0088 42.3026 176.4539 17 G 4.0616 9.3124 111.7421 46.0585 0.0000 175.1612 18 R 4.5042 7.6208 116.4189 56.4973 31.1077 180.4586 19 R 4.2606 7.8780 116.9430 60.3108 30.8085 182.8363 20 E 4.6643 8.3175 114.6028 56.8923 34.7351 178.1432 *24 Y 4.4554 8.8190 111.3734 57.0838 39.6293 177.4095 25 G 4.4105 8.7064 114.2218 44.3975 0.0000 171.3434 26 G 4.3464 9.0935 113.5630 46.0858 0.0000 173.9030 27 T 4.2093 7.4248 116.6822 62.6101 69.1845 175.6644 28 T 4.8778 8.3434 118.5938 60.7300 71.4053 175.1399 29 H 4.1123 8.5992 120.1107 59.3327 29.8274 176.8017 30 D 4.3437 8.0805 120.3852 57.4809 40.6103 178.5000 31 E 3.9794 7.8997 118.2237 59.0845 29.4372 179.0973 32 L 3.7992 7.6972 120.5244 58.0038 42.1149 179.2030 33 V 3.4239 7.7458 117.9972 65.9007 31.4325 177.9283 34 A 3.9769 7.7613 120.1457 55.1284 18.3391 179.6688 35 L 3.9714 8.2102 117.8867 57.7842 41.5720 179.8605 36 I 3.7356 7.7791 119.8870 64.4664 36.7694 178.3918 37 E 3.9745 8.2516 119.3183 59.0826 29.0231 179.4678 38 R 3.8893 7.9631 119.2169 59.2734 30.1661 178.1778 39 E 3.9396 8.1513 118.6219 59.0120 29.6743 178.5149 40 A 4.0717 8.3914 121.0788 55.2065 18.1431 179.4958 41 A 4.0357 7.7268 118.9078 55.2873 18.2475 179.4867 42 E 4.0723 7.9063 115.5865 58.1491 29.6134 178.1633 43 L 4.6923 7.4677 115.5731 53.7849 43.0231 177.1314 44 G 3.8977 7.7563 106.9380 45.1984 0.0000 173.1889 45 L 4.7892 8.0601 118.8953 52.8360 44.2847 176.1891 46 K 4.4618 9.2258 122.4725 54.8651 34.1155 174.4446 47 A 5.0485 8.5303 129.7433 50.5085 20.8136 176.0660 48 V 4.0817 8.5925 123.0150 61.2348 33.4869 174.3933 49 V 4.7029 8.1646 128.4839 61.3772 32.8022 175.1252 50 R 4.5586 8.6382 125.8857 54.3693 34.4409 173.8934 51 Q 5.2626 8.6223 122.4869 54.6798 32.1702 174.3712 52 S 4.7920 8.9384 118.9142 57.4277 65.4429 173.8071 53 D 4.5299 8.9857 125.3084 55.2468 41.5625 176.5715 54 S 4.5356 7.7768 115.4284 56.5628 63.6261 173.7759 55 E 3.8579 8.7428 129.7106 59.4966 29.5094 178.5436 56 A 3.8828 7.8561 120.1919 55.1321 18.5218 179.2509 57 Q 3.4533 7.4502 117.4837 58.8834 29.1305 178.2793 58 L 4.0297 7.5222 119.9117 57.7286 41.6802 179.3850 59 L 3.8596 7.9779 119.0820 57.7944 41.5555 179.0979 60 D 4.3662 7.8425 117.8607 57.1962 41.1476 178.4019 61 W 4.5388 7.9308 119.5551 59.7275 29.0786 178.4753 62 I 3.9860 7.9307 112.6207 63.8029 37.2083 178.0271 63 H 4.3064 8.2147 118.4314 59.0268 28.5530 177.6714 64 Q 4.0775 8.3807 119.6328 58.9523 28.5684 178.6903 65 A 4.0964 8.1520 121.3942 54.5875 17.8496 179.6577 66 A 3.9860 8.0407 119.8686 55.4653 18.3096 179.6118 67 D 4.3326 8.0629 116.1151 57.1938 41.0517 178.1418 68 A 4.2167 8.1254 118.1416 51.3658 19.3945 176.6554 69 A 3.7175 7.3527 118.4992 53.1091 16.7684 176.9213 70 E 4.8322 8.0088 119.0105 54.7083 31.8266 175.9082 71 P 4.6414 0.0000 0.0000 63.1226 33.0077 175.0662 72 V 4.9142 8.6265 120.9233 61.2999 34.9368 174.1053 73 I 4.7893 9.1415 129.1296 59.7297 39.1558 174.2110 74 L 5.1428 9.0793 130.4362 53.1408 44.8847 174.5366 75 N 5.1623 9.1734 125.4466 51.9588 40.2721 174.5141 76 A 4.3612 8.7698 128.8734 51.6393 20.2720 178.1411 77 G 3.8878 8.1622 105.7500 46.3594 0.0000 177.8965 78 G 3.7707 8.6896 110.8775 48.0907 0.0000 174.9292 79 L 4.2606 7.7041 121.3889 56.7740 41.4501 179.0959 80 T 3.8740 7.6170 116.5233 66.7081 68.2155 175.0119 81 H 4.9817 7.7752 114.9088 56.1254 29.5285 175.7496 82 T 4.6019 7.7808 109.7877 61.9196 70.9270 173.5056 83 S 4.4722 8.4730 118.1766 56.9945 62.7661 174.5755 84 V 3.2269 8.0516 127.6766 65.3275 31.5136 177.4886 85 A 3.9260 7.8164 120.2244 55.1285 18.2061 179.2246 86 L 3.8858 8.0749 118.8312 58.0737 42.2004 179.0388 87 R 3.8953 7.5038 118.2542 59.7529 29.8349 178.2562 88 D 4.3711 8.1640 117.2398 57.2904 41.1731 178.4109 89 A 4.2028 8.0062 121.1391 55.2967 18.3334 179.4742 90 C 4.2262 8.3795 114.7503 62.3604 27.9455 175.7388 91 A 4.1489 7.7910 121.2400 54.1457 18.0422 178.6705 92 E 4.2410 7.8022 115.7378 56.8803 29.9082 177.0478 93 L 4.1708 7.1736 120.5634 54.7033 42.0154 177.1154 94 S 4.3510 8.6836 118.1944 60.0721 63.9897 174.5686 95 A 4.4124 7.6913 121.1970 50.4339 19.5123 175.6938 96 P 4.4149 0.0000 0.0000 62.8649 32.9930 175.2859 97 L 5.2076 8.6436 124.2713 53.4292 45.0766 174.9514 98 I 4.7916 8.7441 127.6546 59.4576 39.9112 174.2997 99 E 4.7550 8.9526 129.0472 55.3198 30.9960 175.0395 100 V 4.7195 8.3491 126.5302 61.2823 34.4285 174.2314 101 H 4.8388 9.0413 124.4584 54.1916 31.8198 174.3940 102 I 3.9758 8.7113 124.7274 64.4599 37.7470 176.9354 103 S 4.6050 7.9017 114.3397 56.9495 64.4642 173.4304 104 N 4.4585 8.4203 119.9221 53.1994 37.9021 175.9348 105 V 3.6418 8.1574 126.2322 63.9930 31.8386 176.7888 106 H 4.4763 8.0049 115.5578 56.1902 28.9728 175.4809 107 A 4.4496 7.6525 121.0378 52.3351 19.8160 178.1286 108 R 4.6720 7.2045 115.9045 55.1330 31.1794 175.8440 109 E 4.0274 8.1856 121.2466 57.1183 30.3967 177.7378 110 E 3.9270 8.6310 121.1678 59.4087 30.1340 179.6361 111 F 4.3411 7.8523 113.2791 59.4353 38.1259 176.9274 112 R 3.6035 6.6558 118.8072 57.5288 29.8671 177.2212 113 R 4.1550 7.5403 116.1222 56.4564 30.5186 175.5490 114 H 4.8967 7.5781 117.1533 54.0385 31.8909 173.1051 115 S 4.6979 7.9142 119.5948 56.5692 64.8871 173.5637 116 Y 4.3098 8.5440 125.2787 60.3896 38.1573 177.1365 117 L 4.2856 7.9760 119.7913 57.3239 42.3804 178.8430 118 S 4.1922 8.2921 114.9326 61.3309 62.9294 175.2101 119 P 4.2557 0.0000 0.0000 64.9112 31.1211 177.1645 120 I 4.1429 7.4244 108.8174 60.7063 38.2966 175.6971 121 A 4.4340 7.3026 124.1403 51.7485 19.6019 177.7080 122 T 4.0619 8.6878 117.9471 66.5228 68.9141 174.9956 123 G 4.1006 7.6186 105.8329 45.0933 0.0000 171.7576 124 V 4.8635 8.0868 119.3243 60.9339 34.4851 174.4309 125 I 4.4817 8.8887 128.8719 59.5128 39.1747 174.7958 126 V 4.5985 7.9826 126.0296 61.7831 34.8790 175.9538 127 G 3.9136 8.9021 114.6757 46.3410 0.0000 173.6573 128 L 4.5507 7.3638 117.9729 53.8061 42.4582 178.8870 129 G 3.8006 8.0261 110.6724 46.9202 0.0000 176.4650 130 I 4.0366 8.2654 118.8094 64.9055 35.5095 174.3357 131 Q 4.3893 8.2339 118.4870 58.9154 28.8985 177.9194 132 G 3.5907 7.8333 107.1083 48.1854 0.0000 175.2436 133 Y 4.0595 7.7740 118.9220 60.9891 37.8323 178.6517 134 L 4.1168 7.9930 119.4472 57.6979 42.0132 179.3146 135 L 4.0120 8.3425 119.0648 57.5998 41.5374 179.4364 136 A 4.0463 8.0561 120.9393 55.0189 18.2907 179.6502 137 L 3.9804 7.9010 117.5658 58.0821 41.5169 179.8094 138 R 3.9386 8.1060 117.5732 59.3000 30.1085 177.6939 139 Y 4.1967 8.0145 119.2293 60.7698 38.6562 178.0344 140 L 4.0158 7.9364 118.1135 57.4367 41.7469 179.0105 141 A 4.1799 8.1118 120.3138 54.0234 18.2563 177.7996 142 E 4.5834 7.5568 115.9129 56.2422 30.1883 175.8761 143 H 4.2683 7.8455 121.6736 56.1406 29.8785 173.3719 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 L 8.04 4.38 0.00 1.36 1.71 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 4 I 7.99 4.60 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 1.22 1.13 0.95 0.00 0.00 5 V 9.62 4.36 2.09 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 1.00 0.00 0.00 0.95 0.00 0.00 6 N 8.88 5.10 0.00 2.80 2.67 0.00 0.00 6.13 7.07 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 7 V 8.52 4.75 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 1.03 0.00 0.00 0.97 0.00 0.00 8 I 9.11 5.03 1.95 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 1.18 0.53 1.15 0.00 0.00 9 N 9.31 5.40 0.00 2.69 2.79 0.00 0.00 6.45 7.86 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 10 G 9.00 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 11 P 0.00 4.48 0.00 2.22 2.01 0.00 3.95 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 2.14 2.14 0.00 12 N 9.24 4.41 0.00 2.97 2.98 0.00 0.00 6.96 6.30 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 13 L 7.60 4.30 0.00 1.88 1.79 1.13 0.98 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 14 G 8.00 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 15 R 7.62 4.60 0.00 2.02 1.91 0.00 3.30 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 16 L 7.65 4.26 0.00 1.74 1.82 0.99 1.06 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 17 G 9.31 4.06 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 0.00 18 R 7.62 4.50 0.00 1.82 1.81 0.00 3.27 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.15 0.00 19 R 7.88 4.26 0.00 1.92 1.87 0.00 3.23 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.44 0.00 20 E 8.32 4.66 0.00 1.92 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.87 0.00 *24 Y 8.82 4.46 0.00 2.35 2.16 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 25 G 8.71 4.41 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 0.00 26 G 9.09 4.35 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 0.00 0.00 0.00 27 T 7.42 4.21 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 1.26 0.00 0.00 28 T 8.34 4.88 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 1.22 0.00 0.00 29 H 8.60 4.11 0.00 3.19 3.32 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.08 4.34 0.00 2.75 2.69 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 31 E 7.90 3.98 0.00 2.17 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 0.00 2.31 2.29 0.00 32 L 7.70 3.80 0.00 1.76 1.63 0.65 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.75 3.42 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 0.88 0.00 0.00 0.78 0.00 0.00 34 A 7.76 3.98 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 35 L 8.21 3.97 0.00 1.82 1.70 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.78 3.74 1.83 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.67 0.87 0.00 0.00 37 E 8.25 3.97 0.00 2.05 1.97 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 2.29 2.33 0.00 38 R 7.96 3.89 0.00 2.08 2.05 0.00 3.08 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 39 E 8.15 3.94 0.00 2.28 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 2.33 2.38 0.00 40 A 8.39 4.07 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 41 A 7.73 4.04 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 42 E 7.91 4.07 0.00 2.10 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 2.34 2.48 0.00 43 L 7.47 4.69 0.00 1.76 1.67 0.97 0.93 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 44 G 7.76 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 0.00 0.00 0.00 45 L 8.06 4.79 0.00 1.59 1.59 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 46 K 9.23 4.46 0.00 1.79 1.65 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.48 7.81 47 A 8.53 5.05 1.20 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 0.00 0.00 48 V 8.59 4.08 2.16 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 0.76 0.00 0.00 0.87 0.00 0.00 49 V 8.16 4.70 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 0.69 0.00 0.00 0.82 0.00 0.00 50 R 8.64 4.56 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.64 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.11 0.00 51 Q 8.62 5.26 0.00 1.88 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.66 0.00 0.00 0.00 0.00 0.00 2.42 2.16 0.00 52 S 8.94 4.79 0.00 3.98 3.66 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.99 4.53 0.00 2.71 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 54 S 7.78 4.54 0.00 3.84 3.60 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 0.00 0.00 0.00 55 E 8.74 3.86 0.00 2.04 1.89 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 2.34 2.36 0.00 56 A 7.86 3.88 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 57 Q 7.45 3.45 0.00 1.95 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 1.62 1.16 0.00 58 L 7.52 4.03 0.00 1.90 1.75 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.98 3.86 0.00 1.77 1.58 0.89 1.04 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 60 D 7.84 4.37 0.00 2.69 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 W 7.93 4.54 0.00 3.66 3.06 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 62 I 7.93 3.99 1.90 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 1.80 0.71 0.98 0.00 0.00 63 H 8.21 4.31 0.00 3.47 3.39 0.00 5.64 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 64 Q 8.38 4.08 0.00 2.43 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.46 2.67 0.00 65 A 8.15 4.10 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 66 A 8.04 3.99 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.06 4.33 0.00 2.71 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 68 A 8.13 4.22 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 69 A 7.35 3.72 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 70 E 8.01 4.83 0.00 1.88 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 2.27 2.42 0.00 71 P 0.00 4.64 0.00 2.15 2.21 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.99 0.00 72 V 8.63 4.91 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 1.10 0.00 0.00 1.02 0.00 0.00 73 I 9.14 4.79 1.96 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.49 0.95 0.00 0.00 74 L 9.08 5.14 0.00 1.72 1.49 1.04 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 75 N 9.17 5.16 0.00 2.81 3.03 0.00 0.00 6.66 7.68 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 76 A 8.77 4.36 1.35 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 0.00 0.00 77 G 8.16 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 78 G 8.69 3.77 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 0.00 0.00 0.00 79 L 7.70 4.26 0.00 1.83 1.76 0.93 0.78 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 80 T 7.62 3.87 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 1.24 0.00 0.00 81 H 7.78 4.98 0.00 3.22 3.44 0.00 5.59 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.78 4.60 4.31 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 1.30 0.00 0.00 83 S 8.47 4.47 0.00 3.90 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 84 V 8.05 3.23 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 0.99 0.00 0.00 0.30 0.00 0.00 85 A 7.82 3.93 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 86 L 8.07 3.89 0.00 1.76 1.67 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.50 3.90 0.00 2.07 2.07 0.00 3.34 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 88 D 8.16 4.37 0.00 2.80 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 89 A 8.01 4.20 1.35 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 0.00 0.00 90 C 8.38 4.23 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 91 A 7.79 4.15 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 92 E 7.80 4.24 0.00 2.20 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 2.35 2.37 0.00 93 L 7.17 4.17 0.00 1.67 1.64 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.68 4.35 0.00 3.99 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 95 A 7.69 4.41 1.34 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 96 P 0.00 4.41 0.00 2.19 2.11 0.00 3.58 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.15 0.00 97 L 8.64 5.21 0.00 1.78 1.49 0.93 0.84 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 98 I 8.74 4.79 1.83 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.48 0.82 0.00 0.00 99 E 8.95 4.76 0.00 1.99 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 2.07 2.16 0.00 100 V 8.35 4.72 1.62 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 -0.01 0.00 0.00 0.70 0.00 0.00 101 H 9.04 4.84 0.00 2.99 3.09 0.00 5.67 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.71 3.98 1.93 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.22 0.99 0.00 0.00 103 S 7.90 4.60 0.00 3.96 3.87 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 0.00 104 N 8.42 4.46 0.00 2.73 2.75 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 0.00 105 V 8.16 3.64 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 0.48 0.00 0.00 0.81 0.00 0.00 106 H 8.00 4.48 0.00 3.29 3.33 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.65 4.45 1.30 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 0.00 0.00 108 R 7.20 4.67 0.00 1.62 1.63 0.00 3.17 0.00 0.00 3.13 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.70 0.00 109 E 8.19 4.03 0.00 1.16 1.50 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 2.41 2.30 0.00 110 E 8.63 3.93 0.00 2.00 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 2.37 2.24 0.00 111 F 7.85 4.34 0.00 3.20 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 0.00 112 R 6.66 3.60 0.00 1.54 1.72 0.00 2.89 0.00 0.00 3.09 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.57 0.00 113 R 7.54 4.16 0.00 1.92 2.00 0.00 3.07 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 114 H 7.58 4.90 0.00 3.10 3.10 0.00 5.69 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 S 7.91 4.70 0.00 3.78 3.61 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 0.00 116 Y 8.54 4.31 0.00 3.05 2.94 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 0.00 117 L 7.98 4.29 0.00 1.86 1.71 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.29 4.19 0.00 3.87 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 0.00 119 P 0.00 4.26 0.00 2.07 2.13 0.00 3.80 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 120 I 7.42 4.14 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.65 0.94 0.00 0.00 121 A 7.30 4.43 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 0.00 122 T 8.69 4.06 4.30 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 1.22 0.00 0.00 123 G 7.62 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 0.00 124 V 8.09 4.86 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 0.89 0.00 0.00 0.94 0.00 0.00 125 I 8.89 4.48 1.75 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 1.03 0.40 0.84 0.00 0.00 126 V 7.98 4.60 2.09 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 1.04 0.00 0.00 0.97 0.00 0.00 127 G 8.90 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 0.00 128 L 7.36 4.55 0.00 1.77 1.66 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 129 G 8.03 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 0.00 0.00 0.00 130 I 8.27 4.04 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 1.52 0.70 0.91 0.00 0.00 131 Q 8.23 4.39 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 132 G 7.83 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Y 7.77 4.06 0.00 3.15 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 0.00 134 L 7.99 4.12 0.00 1.73 1.75 0.95 0.72 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 0.00 135 L 8.34 4.01 0.00 1.82 1.73 0.92 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.06 4.05 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 0.00 137 L 7.90 3.98 0.00 2.01 1.77 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 138 R 8.11 3.94 0.00 1.95 2.15 0.00 3.30 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 139 Y 8.01 4.20 0.00 3.17 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 0.00 140 L 7.94 4.02 0.00 1.91 1.76 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 141 A 8.11 4.18 1.34 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 0.00 142 E 7.56 4.58 0.00 1.76 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 2.20 2.33 0.00 143 H 7.85 4.27 0.00 2.79 3.00 0.00 5.93 0.00 0.00 0.00 0.00 6.91 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.