NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9917 8.3549 109.7351 45.7460 0.0000 172.4158 2 S 4.2604 8.2288 119.6247 57.1161 65.5092 172.7055 3 S 4.3898 8.6237 119.3719 58.7489 66.4781 176.9011 4 G 3.9658 8.3053 109.6084 44.9224 0.0000 171.8611 5 S 4.7481 7.9835 113.2676 56.7232 67.0040 174.3594 6 S 4.9783 8.2691 115.3134 58.5355 65.1242 177.4751 7 G 3.8772 8.5420 114.6189 44.6335 0.0000 171.4292 8 A 4.2915 7.7754 121.7251 51.1757 21.5662 176.4574 9 S 4.3659 8.5277 115.8742 59.2986 63.4562 174.2508 10 R 4.7137 7.8555 119.2818 54.4269 33.9316 174.0414 11 P 4.2696 0.0000 0.0000 66.2587 31.6973 176.9111 12 H 4.5004 7.8781 114.9973 55.0981 29.4850 174.6445 13 Q 4.4264 8.7261 118.7347 56.8329 31.2369 176.1459 14 W 4.3350 8.2698 115.7486 58.6057 30.3596 177.7490 15 Q 3.8928 8.2029 118.8856 59.9091 28.2917 178.5038 16 T 4.0323 8.0818 113.1582 65.3683 67.2069 175.1367 17 D 4.5256 8.8538 120.7258 56.2795 40.7616 177.8598 18 E 4.0509 8.5756 119.2456 57.9576 29.6791 177.7500 19 E 4.4379 7.9255 118.1150 58.7883 30.4063 178.2912 20 G 4.0366 8.2049 106.7681 45.5523 0.0000 175.4471 21 V 4.0723 7.7934 122.0758 62.7795 31.5440 177.9635 22 R 4.2667 7.6649 115.2116 57.9533 30.7063 178.1709 23 T 4.1242 9.5096 110.4642 64.8829 70.2420 174.3425 24 G 4.5456 8.0425 109.9022 44.0818 0.0000 173.5383 25 K 4.5257 8.8036 114.6293 56.9854 35.4951 175.8126 26 C 5.1457 7.6945 118.8910 58.9940 30.4807 172.3066 27 S 5.0368 7.6073 114.1179 54.8705 65.8394 174.5788 28 F 4.9974 6.7448 115.9162 54.1555 42.2747 171.5476 29 P 4.7066 0.0000 0.0000 63.0132 32.2542 175.7610 30 V 4.9057 8.6155 116.7477 60.0380 37.0823 173.7296 31 K 4.9890 9.0611 120.0476 55.0756 35.6998 175.5878 32 Y 4.7334 8.7285 125.4824 56.6250 39.0207 176.1452 33 L 3.6144 7.9958 127.2375 58.4294 42.4524 178.3812 34 G 3.0638 6.3805 104.1474 43.9515 0.0000 170.3750 35 H 5.1318 7.7325 115.4425 53.7476 30.7286 173.6906 36 V 4.5483 9.0044 114.9519 59.4656 35.5624 174.6485 37 E 4.6676 8.6161 121.0714 56.1334 30.9713 176.1837 38 V 4.6103 7.7417 114.1813 60.2681 35.0494 174.0429 39 D 4.6037 8.6550 116.3292 56.6155 43.6340 176.9572 40 E 3.8698 8.2104 116.5156 58.4726 29.6733 177.9390 41 S 4.1459 9.7683 109.6634 57.6794 60.9074 168.5720 42 R 4.3772 6.5486 113.5604 55.3910 31.3665 174.4238 43 G 4.6491 8.7890 121.5363 45.3999 0.0000 172.7047 44 M 4.0594 8.4978 126.3798 58.3367 32.4413 177.9889 45 H 4.6597 8.0714 112.9826 57.1827 29.7394 177.4955 46 I 3.6576 8.3499 122.7216 64.5272 36.9805 177.5340 47 C 3.7816 8.1116 117.0375 63.1888 27.8697 176.1460 48 E 4.0690 7.6428 116.9268 59.7749 29.1542 179.0205 49 D 4.3839 8.2024 117.4481 57.3944 41.0938 177.9774 50 A 3.8999 8.1829 121.8195 54.7900 18.4203 179.1896 51 V 3.3055 7.6322 115.1753 66.2792 31.3128 178.2585 52 K 3.9409 7.8908 116.9778 59.7689 32.3178 178.4900 53 R 4.0384 7.8295 118.4722 59.8791 29.4743 178.5914 54 L 3.9797 7.9744 118.0049 57.3169 41.3250 179.4025 55 K 4.1337 8.4170 117.5872 58.0723 31.6932 177.9890 56 A 4.5473 7.9058 119.9799 52.7973 19.7399 178.3517 57 T 3.9230 7.4757 109.7668 62.1377 68.7800 173.7685 58 G 3.9231 7.3105 109.6414 46.4005 0.0000 172.4750 59 K 4.5444 7.3997 123.5196 55.6986 34.2205 174.1896 60 K 4.6860 8.3001 115.4785 55.4661 36.5707 175.0489 61 A 5.0838 8.3552 122.6858 49.8320 21.8504 176.0871 62 V 4.3646 8.1393 118.0372 61.0477 34.6661 175.0854 63 K 4.6901 8.7159 126.5661 56.0225 32.6710 175.5057 64 A 4.9177 8.6827 126.4331 50.4918 23.8681 174.3250 65 V 4.4832 8.2615 119.2137 61.4381 33.5726 174.5728 66 L 4.3666 8.5176 131.0863 54.0416 43.0165 175.2588 67 W 4.7901 9.0420 127.3200 55.3835 31.2333 175.7014 68 V 4.8352 8.7745 123.4097 61.3643 33.9068 174.5582 69 S 4.8165 9.6574 122.9193 56.7264 67.2755 174.9615 70 A 3.5925 8.3606 125.0618 55.6476 18.3817 179.2914 71 D 4.5305 7.9942 114.7249 56.0896 42.4222 174.0473 72 G 4.0685 7.0300 109.8988 44.1852 0.0000 175.4509 73 L 5.1485 9.3668 130.0418 53.2088 46.7234 174.4965 74 R 4.5046 8.7063 117.9797 55.9081 34.0948 175.3728 75 V 4.2336 8.6951 126.7504 61.9564 31.3413 175.3071 76 V 4.0002 8.7066 127.7286 62.3751 33.4986 174.4289 77 D 4.9149 8.7333 126.1369 52.7108 41.2129 176.6231 78 E 3.5915 8.2278 127.4555 59.3127 29.2358 178.5858 79 K 3.6360 7.6357 117.7572 59.7031 32.3247 176.3048 80 T 4.4650 7.4419 108.3980 61.2986 68.2496 175.3572 81 K 4.0448 8.8811 117.1645 56.4097 30.5332 175.7665 82 D 4.5665 7.3051 118.4809 54.4728 42.2462 173.8394 83 L 4.7267 8.2703 120.1306 53.8723 43.1862 176.6382 84 I 4.1458 9.4939 128.8662 63.5953 37.9727 176.4446 85 V 4.4860 7.4299 119.5203 61.3921 35.5122 173.2710 86 D 5.0032 8.6421 123.8176 52.6454 42.9611 173.8600 87 Q 4.6596 8.4744 126.1541 54.6251 31.4806 173.8136 88 T 4.9113 8.1880 119.6057 60.1266 69.3491 174.7669 89 I 3.6188 8.2728 128.9088 64.2440 37.6176 176.3518 90 E 3.7149 7.1985 117.5705 59.7391 29.9020 178.4677 91 K 3.8655 8.2155 116.9543 59.7703 32.4946 176.4769 92 V 4.0990 7.3339 121.3289 63.2540 31.2274 175.4734 93 S 4.7747 9.1452 122.9798 60.7224 62.9028 173.7341 94 F 5.2979 8.1775 119.8876 57.0445 43.5174 173.1364 95 C 4.5242 7.1499 116.6106 57.3392 31.1501 172.8970 96 A 4.6799 7.6540 124.7390 49.0941 22.2170 175.0336 97 P 4.8042 0.0000 0.0000 62.1340 33.0322 173.7094 98 D 5.5245 8.3091 116.2411 51.9857 42.8995 174.6194 99 R 4.8669 8.2160 107.4948 55.1962 30.1085 172.3299 100 N 4.7252 8.0035 116.9660 54.9503 45.7800 175.5827 101 F 4.7037 7.2078 112.6914 56.5890 41.1141 174.6128 102 D 4.6847 8.7154 119.6629 57.1665 41.5984 176.9417 103 R 4.7206 7.2443 109.5921 55.2755 30.6628 171.5509 104 A 4.6512 8.8210 125.7066 50.9425 21.2211 174.7538 105 F 5.0713 9.1605 124.3464 57.4913 40.8048 174.3899 106 S 4.6036 7.5564 119.4111 57.4707 66.6044 171.8829 107 Y 4.9044 8.2416 120.2487 55.7388 41.5204 174.0068 108 I 4.7558 8.9557 122.9684 61.3629 38.9142 174.6058 109 C 5.4188 9.6900 119.0605 57.2821 33.4771 172.9134 110 R 4.5251 8.1673 121.5902 55.5057 29.8079 175.5392 111 D 4.5019 8.4261 127.1851 54.0954 42.3197 176.2677 112 G 4.3080 8.3808 109.7514 45.3207 0.0000 173.6201 113 T 4.6286 7.8185 108.2983 62.9192 74.0375 174.4481 114 T 4.0393 7.8905 116.2676 63.0464 66.7729 176.1995 115 R 4.6259 8.4798 120.0348 56.0451 31.2702 173.4672 116 R 4.5836 6.9868 114.6685 56.1964 33.4505 173.7750 117 W 5.2557 8.9704 117.3456 55.6428 31.7127 175.5224 118 I 5.0372 9.8218 124.5447 59.6844 41.0357 173.8560 119 C 5.2616 9.6068 125.9285 58.0177 34.5392 172.4248 120 H 5.1989 8.6276 121.7813 54.2505 31.4442 172.9455 121 C 5.2380 7.9837 116.2494 58.3870 33.0856 173.4790 122 F 5.1850 10.0416 120.7435 56.7576 43.3918 173.7326 123 M 5.2421 9.4558 124.6576 53.0461 32.0885 175.6858 124 A 4.1739 8.6930 125.6110 52.6516 18.9943 176.7884 125 V 3.9904 8.6142 118.4677 63.9961 32.3732 178.1409 126 K 4.7259 7.5976 118.5857 56.0696 32.9902 174.6334 127 D 4.6278 7.7850 117.9944 54.6948 45.1273 174.3837 128 T 4.6654 7.9712 112.5043 59.8905 70.4222 174.8825 129 G 3.9664 8.8718 114.8775 47.4323 0.0000 174.8992 130 E 3.9335 8.2360 119.6242 59.6022 29.7722 178.5697 131 R 2.0000 7.1363 116.8660 58.8748 30.0690 179.1163 132 L 3.3232 7.0536 117.9240 57.3434 41.6042 179.4815 133 S 3.9606 8.0796 114.2645 60.8553 62.8371 176.1296 134 H 4.1846 7.6889 122.2369 58.9048 29.7151 176.8508 135 A 3.9177 7.5001 122.2275 55.2117 18.3419 179.7507 136 V 3.6627 7.7513 117.8366 64.9665 31.4951 178.4330 137 G 3.7493 7.9115 104.9921 46.3966 0.0000 175.5907 138 C 4.0738 8.1600 119.6654 62.7345 28.0645 175.4848 139 A 3.9903 8.0719 122.2395 55.2316 17.8583 179.1151 140 F 4.1819 8.1303 118.3125 61.6632 39.3306 177.1633 141 A 3.9318 8.1106 119.3699 55.1773 18.2598 179.3518 142 A 4.1045 8.3134 119.5397 55.3660 18.3379 179.1176 143 C 3.8921 9.0801 117.6635 62.6653 31.2627 175.8603 144 L 3.8149 8.6896 121.4007 57.9415 41.0174 178.9071 145 E 3.9003 8.4940 118.7276 59.6840 29.6080 178.6870 146 R 4.0524 7.5271 116.1014 59.5252 30.2549 178.8372 147 K 4.1315 7.2347 116.0302 59.9126 32.7007 178.8223 148 Q 4.3104 9.0325 117.1535 54.7405 31.1130 175.4526 149 K 4.6741 7.9260 118.3173 55.3822 35.3506 175.0912 150 R 4.5553 8.4079 120.3075 54.5229 32.1408 174.8732 151 S 4.5385 8.6412 119.4402 57.5206 63.8135 172.1547 152 G 3.9703 8.6202 120.8507 43.7705 0.0000 171.3243 153 P 4.5289 0.0000 0.0000 62.6104 32.2644 177.3747 154 S 4.6346 8.0342 114.5977 57.5829 63.1824 173.6382 155 S 4.2043 8.0244 124.0078 62.2239 63.7439 174.8071 156 G 4.0386 8.2220 112.1168 45.8809 0.0000 173.4050 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 1 G 8.35 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 2 S 8.23 4.26 0.00 3.87 3.81 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 3 S 8.62 4.39 0.00 3.74 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 4 G 8.31 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 5 S 7.98 4.75 0.00 3.88 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 6 S 8.27 4.98 0.00 3.89 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 8.54 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 A 7.78 4.29 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 9 S 8.53 4.37 0.00 3.87 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 10 R 7.86 4.71 0.00 1.74 1.78 0.00 3.38 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.56 0.00 11 P 0.00 4.27 0.00 2.05 2.12 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 12 H 7.88 4.50 0.00 3.17 3.33 0.00 5.83 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.73 4.43 0.00 2.03 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.84 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 14 W 8.27 4.33 0.00 3.10 2.61 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 15 Q 8.20 3.89 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.33 6.71 0.00 0.00 0.00 0.00 0.00 2.21 2.39 0.00 16 T 8.08 4.03 4.29 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 1.25 0.00 0.00 17 D 8.85 4.53 0.00 2.90 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 18 E 8.58 4.05 0.00 2.03 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 0.00 2.34 2.36 0.00 19 E 7.93 4.44 0.00 2.06 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 2.35 2.56 0.00 20 G 8.20 4.04 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 0.00 0.00 0.00 21 V 7.79 4.07 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 1.11 0.00 0.00 0.99 0.00 0.00 22 R 7.66 4.27 0.00 1.98 2.09 0.00 3.04 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 23 T 9.51 4.12 4.27 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 1.24 0.00 0.00 24 G 8.04 4.55 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 25 K 8.80 4.53 0.00 1.90 2.03 0.00 1.22 0.00 0.00 1.58 0.00 0.00 3.14 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.23 1.33 7.81 26 C 7.69 5.15 0.00 3.08 3.19 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 0.00 27 S 7.61 5.04 0.00 2.72 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 28 F 6.74 5.00 0.00 2.91 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 29 P 0.00 4.71 0.00 2.16 2.25 0.00 3.88 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 2.09 2.00 0.00 30 V 8.62 4.91 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 1.03 0.00 0.00 1.15 0.00 0.00 31 K 9.06 4.99 0.00 1.96 1.70 0.00 1.58 0.00 0.00 1.87 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.44 7.81 32 Y 8.73 4.73 0.00 3.02 2.80 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 33 L 8.00 3.61 0.00 1.33 1.48 0.75 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 34 G 6.38 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 0.00 0.00 0.00 35 H 7.73 5.13 0.00 2.88 2.62 0.00 5.49 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 36 V 9.00 4.55 2.04 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 0.69 0.00 0.00 0.87 0.00 0.00 37 E 8.62 4.67 0.00 1.84 1.90 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 2.31 2.43 0.00 38 V 7.74 4.61 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 0.68 0.00 0.00 1.10 0.00 0.00 39 D 8.65 4.60 0.00 2.57 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 40 E 8.21 3.87 0.00 1.92 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 2.28 2.22 0.00 41 S 9.77 4.15 0.00 3.13 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 42 R 6.55 4.38 0.00 1.57 1.67 0.00 3.15 0.00 0.00 3.02 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.49 0.00 43 G 8.79 4.65 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 44 M 8.50 4.06 0.00 2.22 2.29 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.17 2.82 0.00 45 H 8.07 4.66 0.00 3.33 3.59 0.00 5.46 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.35 3.66 1.99 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 1.20 0.87 0.91 0.00 0.00 47 C 8.11 3.78 0.00 2.93 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 48 E 7.64 4.07 0.00 2.25 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 2.47 2.62 0.00 49 D 8.20 4.38 0.00 3.12 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 50 A 8.18 3.90 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 51 V 7.63 3.31 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 -0.04 0.00 0.00 0.75 0.00 0.00 52 K 7.89 3.94 0.00 1.98 1.97 0.00 2.03 0.00 0.00 1.79 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.84 7.81 53 R 7.83 4.04 0.00 2.13 1.92 0.00 3.08 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 54 L 7.97 3.98 0.00 1.72 1.57 0.73 0.57 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 55 K 8.42 4.13 0.00 1.88 1.92 0.00 1.92 0.00 0.00 2.03 0.00 0.00 2.95 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.54 1.46 7.81 56 A 7.91 4.55 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 57 T 7.48 3.92 4.40 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 1.22 0.00 0.00 58 G 7.31 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 59 K 7.40 4.54 0.00 1.59 1.48 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.21 1.35 7.81 60 K 8.30 4.69 0.00 1.58 1.62 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.42 7.81 61 A 8.36 5.08 1.19 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 0.00 0.00 0.00 62 V 8.14 4.36 2.24 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 1.18 0.00 0.00 0.95 0.00 0.00 63 K 8.72 4.69 0.00 1.79 1.80 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.55 1.47 7.81 64 A 8.68 4.92 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 V 8.26 4.48 2.26 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 0.39 0.00 0.00 0.95 0.00 0.00 66 L 8.52 4.37 0.00 1.72 1.15 0.64 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 67 W 9.04 4.79 0.00 3.29 3.03 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 68 V 8.77 4.84 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 1.01 0.00 0.00 0.91 0.00 0.00 69 S 9.66 4.82 0.00 3.73 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 70 A 8.36 3.59 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 71 D 7.99 4.53 0.00 2.70 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 72 G 7.03 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 73 L 9.37 5.15 0.00 1.47 1.62 0.58 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.71 4.50 0.00 1.72 1.66 0.00 2.88 0.00 0.00 2.96 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 75 V 8.70 4.23 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 0.66 0.00 0.00 0.97 0.00 0.00 76 V 8.71 4.00 2.37 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 0.95 0.00 0.00 0.50 0.00 0.00 77 D 8.73 4.91 0.00 2.77 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.23 3.59 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 2.43 2.35 0.00 79 K 7.64 3.64 0.00 1.88 1.79 0.00 1.75 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.44 7.81 80 T 7.44 4.47 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 1.23 0.00 0.00 81 K 8.88 4.04 0.00 1.93 1.93 0.00 1.99 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.43 1.58 7.81 82 D 7.31 4.57 0.00 2.76 2.59 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 83 L 8.27 4.73 0.00 1.56 1.46 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 84 I 9.49 4.15 1.91 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 1.14 0.74 0.97 0.00 0.00 85 V 7.43 4.49 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 1.09 0.00 0.00 0.91 0.00 0.00 86 D 8.64 5.00 0.00 2.62 2.52 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 87 Q 8.47 4.66 0.00 2.36 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.65 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 88 T 8.19 4.91 4.22 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 1.21 0.00 0.00 89 I 8.27 3.62 2.02 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.86 0.80 0.00 0.00 90 E 7.20 3.71 0.00 1.92 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 2.31 2.43 0.00 91 K 8.22 3.87 0.00 1.96 2.03 0.00 1.69 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.42 7.81 92 V 7.33 4.10 2.49 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 0.71 0.00 0.00 0.72 0.00 0.00 93 S 9.15 4.77 0.00 4.39 4.12 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 0.00 0.00 0.00 94 F 8.18 5.30 0.00 3.01 2.82 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 95 C 7.15 4.52 0.00 3.04 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.65 4.68 0.98 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 0.00 0.00 97 P 0.00 4.80 0.00 2.34 2.21 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 98 D 8.31 5.52 0.00 3.09 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 99 R 8.22 4.87 0.00 1.90 1.99 0.00 3.11 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.55 0.00 100 N 8.00 4.73 0.00 1.79 2.26 0.00 0.00 7.17 7.43 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 0.00 101 F 7.21 4.70 0.00 2.98 3.03 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 0.00 102 D 8.72 4.68 0.00 2.72 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 0.00 103 R 7.24 4.72 0.00 1.86 2.18 0.00 2.93 0.00 0.00 3.44 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 104 A 8.82 4.65 0.68 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 0.00 0.00 105 F 9.16 5.07 0.00 3.10 3.12 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 0.00 0.00 0.00 106 S 7.56 4.60 0.00 3.68 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 0.00 107 Y 8.24 4.90 0.00 3.09 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 0.00 108 I 8.96 4.76 2.10 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.98 1.15 0.00 0.00 109 C 9.69 5.42 0.00 3.15 3.45 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 0.00 110 R 8.17 4.53 0.00 1.40 1.69 0.00 3.09 0.00 0.00 2.88 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.52 0.00 111 D 8.43 4.50 0.00 2.76 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 0.00 112 G 8.38 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 0.00 0.00 0.00 0.00 113 T 7.82 4.63 4.23 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 1.21 0.00 0.00 114 T 7.89 4.04 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 1.20 0.00 0.00 115 R 8.48 4.63 0.00 1.82 1.88 0.00 2.99 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.43 0.00 116 R 6.99 4.58 0.00 1.95 2.09 0.00 2.96 0.00 0.00 3.54 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 117 W 8.97 5.26 0.00 3.29 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 0.00 118 I 9.82 5.04 1.96 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 1.16 1.52 0.94 0.00 0.00 119 C 9.61 5.26 0.00 2.91 2.67 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 0.00 0.00 0.00 0.00 120 H 8.63 5.20 0.00 1.65 2.93 0.00 5.63 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 C 7.98 5.24 0.00 2.60 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 F 10.04 5.18 0.00 3.12 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 0.00 123 M 9.46 5.24 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.38 0.00 124 A 8.69 4.17 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 0.00 125 V 8.61 3.99 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 0.85 0.00 0.00 0.95 0.00 0.00 126 K 7.60 4.73 0.00 1.85 1.82 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.40 7.81 127 D 7.78 4.63 0.00 2.51 2.39 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 0.00 128 T 7.97 4.67 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 0.00 129 G 8.87 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 0.00 130 E 8.24 3.93 0.00 2.07 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 0.00 2.64 2.85 0.00 131 R 7.14 2.00 0.00 1.28 0.98 0.00 2.64 0.00 0.00 2.90 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 1.30 0.00 132 L 7.05 3.32 0.00 1.23 0.49 0.74 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 0.00 133 S 8.08 3.96 0.00 4.03 4.22 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 0.00 134 H 7.69 4.18 0.00 3.25 3.05 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 A 7.50 3.92 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 0.00 136 V 7.75 3.66 2.06 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 0.66 0.00 0.00 0.98 0.00 0.00 137 G 7.91 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 0.00 0.00 0.00 138 C 8.16 4.07 0.00 3.06 2.95 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 0.00 139 A 8.07 3.99 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 0.00 140 F 8.13 4.18 0.00 3.35 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 0.00 141 A 8.11 3.93 1.49 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 0.00 0.00 142 A 8.31 4.10 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 0.00 143 C 9.08 3.89 0.00 2.93 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 0.00 144 L 8.69 3.81 0.00 1.88 1.71 1.11 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 145 E 8.49 3.90 0.00 2.12 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 2.35 2.48 0.00 146 R 7.53 4.05 0.00 2.05 2.00 0.00 3.43 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 147 K 7.23 4.13 0.00 1.85 1.84 0.00 1.68 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.69 7.81 148 Q 9.03 4.31 0.00 1.85 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.69 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 149 K 7.93 4.67 0.00 1.79 1.75 0.00 1.42 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.44 7.81 150 R 8.41 4.56 0.00 1.87 1.83 0.00 3.39 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 151 S 8.64 4.54 0.00 3.87 3.74 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 0.00 152 G 8.62 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 0.00 153 P 0.00 4.53 0.00 2.19 2.06 0.00 3.75 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 1.99 1.95 0.00 154 S 8.03 4.63 0.00 3.94 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 0.00 155 S 8.02 4.20 0.00 3.89 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 0.00 156 G 8.22 4.04 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 0.00 0.00 0.00