NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 G 3.9342 8.3501 109.7389 45.7261 0.0000 174.0187 6 A 4.3692 8.3490 130.1027 50.9748 19.1790 176.3052 *8 A 4.2674 8.3825 122.9309 52.2156 21.1278 174.8453 9 E 4.2215 8.0272 116.0971 56.3715 30.5514 176.9786 10 K 3.9585 8.5050 121.8880 56.1461 32.9170 175.6118 11 P 4.5537 0.0000 0.0000 61.5251 33.6934 175.5555 12 P 4.0883 0.0000 0.0000 65.8855 31.3071 178.5740 13 K 3.7214 8.0687 117.6241 59.6690 31.9287 178.1506 14 E 3.7989 7.8946 118.7561 59.1279 29.6132 178.1758 15 L 3.2991 7.5753 118.9689 57.6953 41.4867 179.4159 16 V 3.3562 7.2910 117.7601 66.3512 31.3005 177.9243 17 N 4.2695 7.9623 115.7789 56.1935 38.3350 176.9694 18 E 3.8729 7.8614 120.6319 59.1923 29.6761 178.9757 19 W 4.4286 8.0644 119.1681 59.8220 28.9763 178.6843 20 S 4.2310 8.4301 115.4482 61.5563 62.2244 176.7050 21 L 3.9947 8.1408 121.6017 57.7532 41.3381 179.5922 22 K 3.9506 8.2267 118.2859 59.8516 31.8743 179.3553 23 I 3.6938 7.9869 118.7562 64.5093 37.0249 178.2007 24 R 4.0491 8.0735 119.1558 59.0007 30.2071 177.9806 25 K 4.0602 8.3160 119.9134 59.6241 32.1853 179.5984 26 E 3.7521 8.2682 118.4220 56.9304 30.3513 179.5236 *28 R 4.2273 7.9834 119.2628 56.4084 32.4549 177.9474 29 V 3.5502 7.8090 116.9735 66.1648 31.2863 178.1385 30 V 3.5065 7.8456 117.5614 66.1038 31.3092 177.3732 31 D 4.2861 8.1133 118.0695 57.5026 40.5777 178.5563 32 R 3.8522 8.2845 119.2025 59.9717 30.0926 178.6155 33 Q 3.9555 8.4277 117.7703 58.7890 28.6351 178.8978 34 I 3.6020 8.2749 121.5813 64.1452 37.0525 178.3333 35 R 3.8853 8.2327 120.0319 59.4561 29.9568 178.3708 36 D 4.3202 8.3326 118.8892 57.4506 40.8664 178.7791 37 I 3.7049 7.6316 120.1694 64.4783 37.2227 178.4149 38 Q 4.0048 8.1208 118.8196 59.1449 28.1841 179.1218 39 R 4.1177 8.2135 119.3757 59.0094 29.9791 178.0763 40 E 4.2272 7.9372 118.9652 58.9821 29.6148 178.3230 41 E 3.9656 8.3731 118.7402 59.1066 28.9667 178.7958 42 E 3.9561 8.0129 118.4553 59.6412 29.6853 179.8600 43 K 3.9814 7.5186 118.1927 59.6124 32.1752 179.6493 44 V 3.6240 7.9207 118.4572 65.8934 31.1101 177.9895 45 K 3.9847 8.4261 119.8600 59.2868 31.9205 178.9633 46 R 3.9403 7.6581 117.2755 59.3795 29.9110 179.0709 47 S 4.1068 7.9662 114.6474 61.7305 62.8883 176.8269 48 V 3.4489 7.5775 120.5551 66.5040 31.1584 177.5039 49 K 3.8898 7.9319 118.0507 59.2678 31.6881 178.4689 50 D 4.3645 8.2067 118.2119 58.0225 40.8803 179.3001 51 A 3.9636 8.6785 120.1551 55.2843 18.6871 179.0214 52 A 4.2103 8.0641 118.7044 54.5578 18.7125 179.7151 53 K 4.1338 8.5276 116.2906 58.3093 32.0153 177.9478 54 K 4.3952 7.6564 117.9240 55.5471 32.5340 178.0787 55 G 3.9563 8.0124 106.5732 46.4426 0.0000 175.6622 56 Q 4.3549 7.5297 120.4374 55.5498 24.6560 176.8702 57 K 3.9240 7.7781 124.6875 60.0867 32.7670 178.2610 58 D 4.3625 8.2270 118.1667 57.5503 40.7248 179.1920 59 V 3.5543 7.7245 118.1247 66.1526 31.5598 177.6103 60 C 4.0083 8.0904 115.8512 63.1535 28.0312 175.8347 61 I 3.6771 7.9127 121.2179 64.5891 36.7220 178.7109 62 V 3.5495 7.7963 118.5989 66.1052 31.2656 177.8344 63 L 3.9564 8.2183 117.3872 57.8664 41.5139 179.1211 64 A 4.1362 8.3493 119.7557 55.4387 18.8321 179.6433 65 K 4.0336 8.2079 116.5253 59.2869 32.0981 179.0443 66 E 4.0691 8.0022 117.3199 56.7850 29.1679 178.1473 *68 I 4.0665 7.6625 112.5555 60.4290 39.6054 177.3936 69 R 3.8593 7.8106 120.7392 59.3024 29.6477 178.4148 70 S 4.0988 8.0154 114.3232 61.5405 62.9095 176.3853 71 R 3.9118 8.0442 119.9755 59.6069 29.8975 178.6414 72 K 3.8177 8.2228 117.6765 59.6915 32.1329 178.8359 73 A 3.9771 8.1741 120.7863 55.4208 18.3594 179.8945 74 V 3.4826 8.2568 116.9846 66.0572 31.5054 177.9711 75 S 4.1640 8.7075 113.3013 61.4119 62.4573 175.7859 76 K 3.8118 8.2707 122.2351 59.7771 31.6707 178.6573 77 L 3.9251 7.8243 118.9299 58.1384 41.6314 179.0217 78 Y 4.2850 8.5431 116.4830 60.7104 37.6122 178.9203 79 A 4.0241 8.2143 122.1467 55.3798 18.3703 179.6406 80 S 4.1353 7.7465 111.9084 61.7792 62.9942 176.5204 81 K 4.0355 8.2389 121.2479 59.4775 32.0927 178.3788 82 A 4.1964 8.2553 121.0398 55.3544 18.4892 180.7998 83 H 4.2568 8.1372 113.8700 56.1978 28.7780 177.5025 *85 N 4.6696 8.1550 119.6905 53.4793 40.3807 176.8976 86 S 4.0815 8.3079 111.7068 61.2380 62.6311 175.5463 87 V 3.7521 7.6469 119.0421 65.6167 31.3445 177.6047 88 L 4.0595 7.4718 118.0572 55.8126 41.2487 177.2461 *90 G 3.7662 8.0802 103.8908 44.8239 0.0000 174.9962 *92 K 4.2153 7.9201 122.8319 56.1099 34.1581 177.4758 93 N 4.3367 8.0804 116.3228 56.8050 38.6989 176.6341 94 Q 4.0407 7.9442 118.2479 58.8964 29.0102 178.5460 95 L 4.1125 8.0075 119.1817 57.9093 41.8259 179.0027 96 A 3.9753 7.9887 120.4714 55.5568 18.2721 179.8198 97 V 3.5943 8.0145 116.4103 66.1767 31.4064 178.1783 98 L 4.2345 8.1746 118.7500 57.3148 41.3052 179.2157 99 R 4.0454 7.6266 116.7390 58.4111 29.9987 177.6543 100 V 4.3696 7.6248 108.7838 60.5147 34.0235 175.2684 101 A 4.6729 7.8032 118.6295 52.7158 20.5788 178.3493 102 G 3.7690 9.4187 101.0829 45.8715 0.0000 174.3510 103 S 4.3821 7.8146 115.8815 56.6166 65.5243 174.5137 104 L 4.2154 8.5430 125.5996 55.2089 42.0485 177.0061 105 Q 4.6725 8.1783 118.3517 53.5474 32.3271 175.7458 106 K 4.0672 8.6571 120.2373 56.2142 32.4275 176.4853 107 S 4.5452 8.5829 118.9570 56.3956 63.3714 173.0351 108 T 4.0024 8.8417 123.3456 65.4623 66.9261 174.8790 109 E 4.0833 8.3427 119.9606 59.7506 30.0811 178.9222 110 V 3.9352 7.1963 110.9604 60.7416 30.4609 176.6117 *112 K 4.2967 7.8651 121.0669 56.9924 34.8483 179.2601 113 A 4.2083 7.4735 119.3726 52.3750 17.7258 178.9713 *115 Q 4.1657 8.3119 121.5212 57.7420 30.4946 177.3718 116 S 4.1951 8.5033 110.1953 59.9380 63.5639 174.5879 117 L 4.2724 7.6612 122.9903 56.9245 42.5606 178.8907 118 V 3.7526 7.7359 111.0372 63.9690 31.8448 177.1711 119 K 3.9038 7.6274 118.6733 59.4981 32.0470 177.5545 120 I 3.6909 7.1427 118.5983 60.6708 36.9528 173.5453 121 P 4.1753 0.0000 0.0000 66.2672 31.4009 177.9083 122 E 3.8889 8.2649 118.3311 58.4641 29.4360 178.3000 123 I 4.0753 7.6031 111.2647 60.4928 38.3684 177.0291 124 Q 3.8591 7.7751 122.2615 59.1917 29.1858 177.1687 125 A 4.1136 8.1382 120.5504 55.9808 18.5979 179.7429 126 T 4.3212 7.7060 110.3233 64.1880 67.8828 176.9989 *128 R 4.3930 8.0122 124.1513 56.2189 32.2059 177.1172 129 E 3.9830 7.7158 117.6527 58.8740 29.4798 178.1747 130 L 3.8171 8.0677 118.0733 57.9639 41.8006 178.9580 131 S 4.0656 7.9265 110.9138 61.4357 62.2367 175.8667 132 K 4.1433 7.2380 119.3063 58.8596 33.4636 177.7894 133 E 4.1963 7.8270 121.8807 56.5687 26.3291 177.0207 *136 K 4.1573 8.0153 123.0572 56.0804 34.3404 177.7419 137 A 3.7540 7.8742 120.3239 53.7901 18.7102 178.1719 138 G 3.9672 8.0729 103.6168 46.1427 0.0000 175.0782 139 I 4.4203 7.7902 120.6199 61.5618 37.9786 175.6753 140 I 5.0020 7.4231 119.5029 59.3925 42.3189 174.4061 141 E 4.4115 8.7159 120.3611 57.0016 29.2601 177.4592 *158 E 4.1815 9.0957 126.0409 57.0307 31.3805 176.7323 159 E 4.2165 8.1762 120.0121 57.6366 30.2650 176.6972 160 E 4.2968 8.0160 115.8818 56.6566 29.7384 176.3127 161 A 4.3199 7.4141 120.3459 52.8527 18.6084 177.5566 162 E 4.2677 7.3546 114.0791 56.6242 30.3326 177.7381 *164 E 4.3610 8.3079 121.5337 57.3968 31.7577 177.0728 165 I 3.6927 7.7683 112.1830 64.5081 37.2370 177.5932 166 D 4.3915 8.2638 121.0288 56.8351 40.4277 178.7258 167 R 3.9823 7.8348 118.9709 59.3641 30.0804 178.2200 168 I 3.5881 8.1245 119.9966 64.4858 37.4514 177.9667 169 L 4.0766 8.3224 120.1314 57.8884 41.4050 178.9644 170 F 4.0524 8.3478 119.4666 61.6770 39.1892 177.4914 171 E 4.5077 8.8469 114.3306 57.0982 28.6654 178.0305 172 I 4.5863 7.9135 111.7570 61.9093 42.6013 175.6309 173 T 3.9408 8.4306 113.7571 61.5283 67.6919 173.5760 174 A 3.3657 8.6442 121.9911 54.0100 15.7229 177.9844 175 G 2.8089 7.3257 106.1878 45.6415 0.0000 174.2634 176 A 4.2570 7.1979 121.5470 53.1528 19.1352 177.8932 177 L 4.7976 7.2342 113.8755 54.0797 46.5052 178.1209 178 G 3.9724 8.9227 107.6587 45.8063 0.0000 173.7271 179 K 4.3343 8.4431 121.7823 55.0592 35.6029 176.3028 180 A 2.0000 7.6010 127.5529 53.9887 18.6974 175.2663 181 P 4.3056 0.0000 0.0000 62.9362 31.3219 176.3862 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 5 G 8.35 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 6 A 8.35 4.37 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 *8 A 8.38 4.27 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 9 E 8.03 4.22 0.00 2.07 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 2.28 2.37 0.00 10 K 8.50 3.96 0.00 1.69 1.70 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.41 7.81 11 P 0.00 4.55 0.00 2.22 2.14 0.00 3.65 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 2.01 2.01 0.00 12 P 0.00 4.09 0.00 2.15 2.15 0.00 3.59 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 13 K 8.07 3.72 0.00 1.77 1.77 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.48 7.81 14 E 7.89 3.80 0.00 2.03 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 2.29 2.33 0.00 15 L 7.58 3.30 0.00 0.88 0.13 0.87 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.29 3.36 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 1.16 0.00 0.00 0.96 0.00 0.00 17 N 7.96 4.27 0.00 2.82 2.80 0.00 0.00 6.68 7.23 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 18 E 7.86 3.87 0.00 1.93 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 2.31 2.37 0.00 19 W 8.06 4.43 0.00 3.50 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.43 4.23 0.00 4.08 3.96 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 21 L 8.14 3.99 0.00 1.91 1.74 0.92 0.86 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 22 K 8.23 3.95 0.00 1.90 1.92 0.00 1.85 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.73 7.81 23 I 7.99 3.69 2.11 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 1.59 0.79 0.94 0.00 0.00 24 R 8.07 4.05 0.00 2.00 2.15 0.00 3.35 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 25 K 8.32 4.06 0.00 1.97 1.99 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.51 7.81 26 E 8.27 3.75 0.00 2.15 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 2.50 2.53 0.00 *28 R 7.98 4.23 0.00 2.00 2.01 0.00 3.15 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 29 V 7.81 3.55 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 1.02 0.00 0.00 0.93 0.00 0.00 30 V 7.85 3.51 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 0.87 0.00 0.00 0.94 0.00 0.00 31 D 8.11 4.29 0.00 2.89 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 32 R 8.28 3.85 0.00 1.92 2.16 0.00 3.08 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 33 Q 8.43 3.96 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.61 0.00 34 I 8.27 3.60 1.74 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.84 0.64 0.00 0.00 35 R 8.23 3.89 0.00 2.02 2.00 0.00 3.09 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 36 D 8.33 4.32 0.00 2.69 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 0.00 0.00 0.00 0.00 37 I 7.63 3.70 1.84 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 1.50 0.88 0.90 0.00 0.00 38 Q 8.12 4.00 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.58 2.49 0.00 39 R 8.21 4.12 0.00 2.08 2.00 0.00 3.08 0.00 0.00 3.09 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 40 E 7.94 4.23 0.00 2.23 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 2.38 0.00 41 E 8.37 3.97 0.00 2.07 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 2.33 2.62 0.00 42 E 8.01 3.96 0.00 2.27 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 2.35 2.59 0.00 43 K 7.52 3.98 0.00 2.05 1.84 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.58 7.81 44 V 7.92 3.62 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 0.99 0.00 0.00 0.98 0.00 0.00 45 K 8.43 3.98 0.00 1.94 1.98 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.48 7.81 46 R 7.66 3.94 0.00 2.03 1.97 0.00 3.19 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 1.95 0.00 47 S 7.97 4.11 0.00 4.04 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 48 V 7.58 3.45 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 1.03 0.00 0.00 0.97 0.00 0.00 49 K 7.93 3.89 0.00 1.96 1.78 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.69 7.81 50 D 8.21 4.36 0.00 2.80 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 51 A 8.68 3.96 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 52 A 8.06 4.21 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 53 K 8.53 4.13 0.00 1.83 1.89 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.62 7.81 54 K 7.66 4.40 0.00 1.73 1.77 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.51 7.81 55 G 8.01 3.96 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 0.00 0.00 0.00 56 Q 7.53 4.35 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 57 K 7.78 3.92 0.00 1.79 1.89 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.58 7.81 58 D 8.23 4.36 0.00 2.68 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 59 V 7.72 3.55 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 0.85 0.00 0.00 1.00 0.00 0.00 60 C 8.09 4.01 0.00 3.19 2.97 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 61 I 7.91 3.68 1.99 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 1.41 0.84 0.91 0.00 0.00 62 V 7.80 3.55 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 1.03 0.00 0.00 0.93 0.00 0.00 63 L 8.22 3.96 0.00 1.66 1.74 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.35 4.14 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 65 K 8.21 4.03 0.00 1.90 1.89 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.74 7.81 66 E 8.00 4.07 0.00 2.15 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 2.30 2.36 0.00 *68 I 7.66 4.07 1.88 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 1.47 0.42 0.96 0.00 0.00 69 R 7.81 3.86 0.00 2.10 2.16 0.00 3.10 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 70 S 8.02 4.10 0.00 3.95 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 71 R 8.04 3.91 0.00 1.99 2.03 0.00 3.17 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 72 K 8.22 3.82 0.00 2.03 1.90 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.50 7.81 73 A 8.17 3.98 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 74 V 8.26 3.48 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 0.89 0.00 0.00 0.90 0.00 0.00 75 S 8.71 4.16 0.00 3.94 4.15 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 0.00 0.00 0.00 0.00 76 K 8.27 3.81 0.00 1.88 2.01 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.53 7.81 77 L 7.82 3.93 0.00 1.76 1.53 0.83 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 8.54 4.28 0.00 3.11 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 79 A 8.21 4.02 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 80 S 7.75 4.14 0.00 4.06 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 81 K 8.24 4.04 0.00 1.76 2.14 0.00 1.85 0.00 0.00 1.90 0.00 0.00 3.11 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.54 1.52 7.81 82 A 8.26 4.20 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 83 H 8.14 4.26 0.00 3.31 3.35 0.00 5.65 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 *85 N 8.16 4.67 0.00 2.92 2.91 0.00 0.00 6.63 8.14 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 86 S 8.31 4.08 0.00 3.79 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 0.00 87 V 7.65 3.75 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 0.77 0.00 0.00 0.96 0.00 0.00 88 L 7.47 4.06 0.00 1.64 1.82 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 *90 G 8.08 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 *92 K 7.92 4.22 0.00 1.85 1.88 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.45 7.81 93 N 8.08 4.34 0.00 2.89 3.03 0.00 0.00 7.21 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 94 Q 7.94 4.04 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.69 0.00 0.00 0.00 0.00 0.00 2.72 2.71 0.00 95 L 8.01 4.11 0.00 1.92 1.73 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.99 3.98 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 97 V 8.01 3.59 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 1.05 0.00 0.00 1.01 0.00 0.00 98 L 8.17 4.23 0.00 1.97 1.70 1.03 1.05 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 99 R 7.63 4.05 0.00 1.97 2.01 0.00 3.11 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 100 V 7.62 4.37 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 0.69 0.00 0.00 1.00 0.00 0.00 101 A 7.80 4.67 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 0.00 102 G 9.42 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 0.00 103 S 7.81 4.38 0.00 4.11 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 0.00 104 L 8.54 4.22 0.00 1.71 1.72 1.07 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 8.18 4.67 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 106 K 8.66 4.07 0.00 1.75 1.76 0.00 1.74 0.00 0.00 2.51 0.00 0.00 2.83 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.67 7.81 107 S 8.58 4.55 0.00 3.79 3.75 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 0.00 108 T 8.84 4.00 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 1.21 0.00 0.00 109 E 8.34 4.08 0.00 2.04 1.98 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 2.40 2.29 0.00 110 V 7.20 3.94 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 0.69 0.00 0.00 0.87 0.00 0.00 *112 K 7.87 4.30 0.00 1.96 2.10 0.00 1.51 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.55 1.46 7.81 113 A 7.47 4.21 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 *115 Q 8.31 4.17 0.00 2.14 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.88 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 116 S 8.50 4.20 0.00 3.82 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 0.00 117 L 7.66 4.27 0.00 1.97 1.65 0.91 1.38 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 0.00 118 V 7.74 3.75 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 0.74 0.00 0.00 0.94 0.00 0.00 119 K 7.63 3.90 0.00 1.69 1.89 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.68 1.57 7.81 120 I 7.14 3.69 1.99 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 1.43 0.71 0.92 0.00 0.00 121 P 0.00 4.18 0.00 2.20 2.25 0.00 3.70 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 122 E 8.26 3.89 0.00 2.08 2.14 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 2.27 2.25 0.00 123 I 7.60 4.08 1.86 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 1.29 0.97 0.90 0.00 0.00 124 Q 7.78 3.86 0.00 2.40 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 125 A 8.14 4.11 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 0.00 126 T 7.71 4.32 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 1.23 0.00 0.00 *128 R 8.01 4.39 0.00 2.19 1.88 0.00 3.15 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 129 E 7.72 3.98 0.00 2.21 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 0.00 2.31 2.35 0.00 130 L 8.07 3.82 0.00 1.49 1.49 0.90 0.90 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 0.00 131 S 7.93 4.07 0.00 3.77 4.05 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 0.00 132 K 7.24 4.14 0.00 1.97 1.92 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.47 7.81 133 E 7.83 4.20 0.00 2.20 2.20 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 2.47 2.40 0.00 *136 K 8.02 4.16 0.00 1.84 2.04 0.00 1.76 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.48 7.81 137 A 7.87 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.07 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 0.00 0.00 0.00 139 I 7.79 4.42 1.82 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.74 0.96 0.00 0.00 140 I 7.42 5.00 1.79 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.51 0.86 0.00 0.00 141 E 8.72 4.41 0.00 1.89 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 2.18 2.27 0.00 *158 E 9.10 4.18 0.00 2.05 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 2.30 2.31 0.00 159 E 8.18 4.22 0.00 1.96 1.92 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 2.35 2.27 0.00 160 E 8.02 4.30 0.00 1.99 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 0.00 2.26 2.29 0.00 161 A 7.41 4.32 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 0.00 162 E 7.35 4.27 0.00 2.23 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 2.60 2.24 0.00 *164 E 8.31 4.36 0.00 2.05 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 2.29 2.32 0.00 165 I 7.77 3.69 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 1.65 0.79 0.92 0.00 0.00 166 D 8.26 4.39 0.00 2.74 2.79 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 0.00 167 R 7.83 3.98 0.00 1.86 2.11 0.00 3.20 0.00 0.00 3.34 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.77 0.00 168 I 8.12 3.59 1.90 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 1.58 0.90 0.94 0.00 0.00 169 L 8.32 4.08 0.00 1.91 1.77 0.95 1.02 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 0.00 170 F 8.35 4.05 0.00 3.37 3.26 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 0.00 171 E 8.85 4.51 0.00 2.20 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 2.46 2.64 0.00 172 I 7.91 4.59 1.87 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 1.57 0.43 0.99 0.00 0.00 173 T 8.43 3.94 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 1.27 0.00 0.00 174 A 8.64 3.37 1.23 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 0.00 0.00 175 G 7.33 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 0.00 0.00 0.00 176 A 7.20 4.26 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 0.00 177 L 7.23 4.80 0.00 1.60 1.56 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 178 G 8.92 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 0.00 0.00 0.00 179 K 8.44 4.33 0.00 1.65 1.55 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.34 7.81 180 A 7.60 2.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 P 0.00 4.31 0.00 1.96 1.91 0.00 3.44 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.98 0.00 * Residues marked with a * may have inaccurate shift predictions.