NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8902 8.3016 109.1147 44.9094 0.0000 174.0306 4 D 4.1537 8.5720 123.9258 53.5957 42.4433 175.4197 5 K 3.9430 9.4845 128.8683 59.6801 32.7392 178.5909 6 K 4.2395 8.0360 119.6161 58.4128 32.0437 179.1554 7 V 3.6943 8.3983 118.9901 66.3818 31.3482 178.2544 8 I 3.8013 7.6708 118.8195 64.3510 36.5083 178.3877 9 Q 3.9879 8.0630 118.9856 59.4220 28.5685 178.7519 10 H 4.2582 8.6570 117.5556 58.7286 28.6130 177.9316 11 L 4.0448 8.3847 121.3481 57.9481 41.5063 179.3414 12 N 4.3292 8.6301 116.7392 55.7929 38.3510 177.5561 13 K 3.9336 8.0153 121.4210 59.5605 32.3115 178.8913 14 I 3.7040 7.8178 120.1215 64.2544 36.9103 178.0895 15 L 4.0321 8.3011 121.5157 58.2237 42.0544 179.2681 16 G 3.6319 8.2041 105.5564 47.9048 0.0000 175.4273 17 N 4.3768 8.0978 118.6992 56.1661 38.5263 177.3900 18 E 3.9662 8.3988 120.1273 59.3311 29.3716 179.2396 19 L 3.9615 8.2314 119.3859 57.8333 41.5689 179.7046 20 I 3.6398 7.5935 118.8224 64.2850 37.1104 178.2940 21 A 3.2152 7.7532 121.4052 54.9267 18.1477 179.2689 22 I 3.5929 7.8380 118.7518 65.0288 37.1759 178.2846 23 N 4.3273 7.7785 116.6214 56.2208 38.3782 177.2283 24 Q 3.8298 8.0827 121.1295 59.6488 29.0759 178.1764 25 Y 4.7506 8.1768 119.2197 60.5195 37.8480 178.4741 26 F 3.9983 8.5114 121.7356 61.1471 39.5030 176.9818 27 L 3.9736 8.2782 120.1331 58.5900 41.8336 178.6284 28 H 3.8579 8.2843 116.2435 58.5546 28.4796 177.5408 29 S 4.3179 8.4023 115.3210 61.8716 62.1978 176.7130 30 R 3.8489 7.7994 120.4185 59.0543 29.7495 178.8889 31 M 3.4649 8.0957 119.0979 58.1477 31.9083 178.8695 32 W 4.3586 7.9062 118.9871 59.7782 29.2122 178.4299 33 N 4.4014 8.4458 116.7289 56.3655 37.7663 176.9509 34 D 4.3882 8.1991 118.8199 56.7852 41.3702 177.4860 35 W 4.8961 7.8285 117.0053 56.6770 29.5021 177.2276 36 G 4.0132 8.1847 108.0532 45.7997 0.0000 174.1421 37 L 4.7462 7.9771 122.2750 53.4999 40.2365 177.6001 38 K 4.0614 8.6301 121.9487 58.8707 32.5029 179.0827 39 R 3.8503 7.8937 119.3815 59.3366 29.9969 178.5494 40 L 3.8372 7.7379 118.5064 57.4400 41.5163 179.4525 41 G 3.7808 8.2978 105.5887 47.9267 0.0000 175.6074 42 A 4.0102 8.2207 123.7173 54.9628 18.3795 179.1681 43 H 3.9646 8.1683 116.6832 59.4683 29.5107 177.1944 44 E 4.0321 8.5313 121.1185 59.0541 29.3751 178.1445 45 Y 3.9522 8.0648 119.9013 61.0776 38.9035 177.8397 46 H 4.0494 8.1958 117.0153 58.7138 28.8211 177.7531 47 E 3.8514 7.9748 120.7021 59.2310 29.2268 179.2439 48 S 4.2887 8.2573 113.2747 61.5009 62.5158 176.2520 49 I 3.6028 7.7316 122.6888 64.4329 36.7763 178.0126 50 D 4.2861 8.0576 119.6712 57.5867 40.6614 178.8791 51 E 4.1995 8.1365 118.5328 59.3728 29.4496 179.1876 52 M 4.0578 8.0728 119.0390 58.3867 32.1222 178.9457 53 K 4.0034 8.0522 118.5758 59.6080 32.2108 179.0845 54 H 4.2555 8.0740 116.3521 58.9417 28.5824 177.6628 55 A 4.0176 8.1233 122.4616 55.0985 18.1868 179.0087 56 D 4.2685 8.1605 116.5403 57.6850 41.2228 178.8718 57 K 4.0615 8.0120 118.3650 59.1341 31.9376 179.4142 58 L 3.9865 8.0214 119.3669 57.9253 41.5984 179.3614 59 I 3.7094 7.9240 119.7993 64.7293 37.0642 178.3761 60 E 4.0110 8.2494 119.1748 59.2895 29.2653 179.4106 61 R 4.0142 8.2743 118.9319 59.4892 30.1282 178.6224 62 I 3.7331 8.1546 119.9884 64.4428 37.1074 178.3845 63 L 4.0191 8.1328 119.8352 57.8445 41.2221 179.3987 64 F 4.3311 8.1682 119.6488 60.9288 39.4331 176.2356 65 L 3.9674 7.8606 116.5860 53.8357 41.4406 176.6591 66 E 3.5289 7.8578 117.5883 57.4470 27.1453 174.8035 67 G 3.8646 8.1554 107.6025 44.3518 0.0000 174.1782 68 L 4.4674 7.9975 119.2298 52.1542 41.6136 175.2220 69 P 4.3918 0.0000 0.0000 62.3428 31.8578 176.2859 70 N 4.6560 9.3861 122.0573 52.5775 38.3008 174.1213 71 L 4.6019 8.3077 124.0947 54.5129 42.3387 177.3533 72 Q 4.1488 8.6016 122.0855 57.2641 29.5128 175.4810 73 D 4.7146 8.0851 117.6406 52.3258 41.9507 175.2184 74 L 4.5760 8.3161 126.3017 52.7768 43.8990 176.9521 75 G 3.8041 8.3820 117.3575 45.1238 0.0000 170.8736 76 K 4.2871 8.3804 121.5272 55.0232 32.9095 177.3916 77 L 4.1621 8.3521 126.5587 54.4409 42.3223 176.9646 78 L 4.4856 8.7561 123.5881 53.2045 41.3467 175.1918 79 I 4.3261 8.0872 124.0058 59.3954 38.3382 176.6289 80 G 4.0275 8.6677 114.9730 44.6493 0.0000 172.6027 81 E 4.7078 9.1650 115.6962 55.7877 30.7795 175.5126 82 N 5.2275 7.7055 116.8190 50.6437 41.9666 174.9885 83 T 4.4595 8.6693 116.1075 67.2354 68.5787 176.2836 84 Q 4.0042 8.3048 120.7730 59.6021 28.9962 178.3927 85 E 4.0697 8.9251 119.5914 59.4677 29.4669 179.2615 86 M 3.9340 8.5259 119.2890 58.1544 31.9558 178.6392 87 L 4.1651 8.4978 119.5550 58.0879 41.8951 179.4004 88 Q 3.9999 8.0961 119.2898 59.4436 28.9681 178.0618 89 C 4.2158 8.6301 118.1048 62.9518 28.1146 175.8482 90 D 4.6975 8.4810 120.5227 57.4148 40.3990 178.5856 91 L 4.0095 8.1791 120.8568 58.1894 42.0102 178.8569 92 N 4.3460 8.4056 116.4978 56.0926 38.5206 176.9894 93 L 3.9716 8.0138 121.7452 58.4619 42.1987 178.9197 94 E 4.0816 8.7076 118.7318 59.4667 29.4909 179.3964 95 L 4.0277 8.2136 119.1423 57.6621 41.6162 179.5006 96 K 3.9688 8.0059 119.0767 59.4339 32.1411 178.8038 97 A 3.9985 8.1415 121.1921 55.2916 18.3018 179.5747 98 T 3.8191 8.1027 111.7600 65.0596 67.3104 176.4782 99 K 3.9566 7.9933 121.3184 59.7376 32.2721 178.5350 100 D 4.4145 8.3488 119.2494 57.2324 40.5718 178.9676 101 L 3.9780 8.1052 119.5465 57.9458 41.6213 179.4589 102 R 3.9207 8.0344 117.9434 59.6246 30.0655 179.0131 103 E 3.9613 8.0911 118.0376 59.1833 29.4008 179.1963 104 A 3.6292 8.1803 120.9941 55.0355 18.3447 179.8259 105 I 3.6329 8.0129 118.5695 64.2989 37.1059 178.5152 106 V 3.5609 7.9503 119.4241 66.4540 31.3029 177.4850 107 H 4.0330 8.0213 117.3897 59.5019 29.6858 176.7985 108 C 3.9475 8.1595 118.5566 62.7375 27.9460 175.7163 109 E 3.8712 8.2949 120.8255 59.4594 29.0488 178.4725 110 Q 3.9416 7.9232 118.1619 58.8343 29.0369 178.0043 111 V 3.9321 7.1891 110.0542 60.6682 31.8505 175.7153 112 H 3.0345 7.2747 113.9410 56.9830 26.7223 176.3457 113 D 4.4846 7.1991 121.1633 53.5489 38.3876 175.8469 114 Y 4.3617 7.4412 121.2575 60.0539 38.4562 177.4078 115 V 3.7395 7.8013 119.2776 65.9462 31.8259 178.0622 116 S 4.1957 8.7334 115.2585 61.4742 62.5876 176.6356 117 R 3.9199 8.0169 121.6248 59.3170 29.8298 178.0773 118 D 4.3119 8.2946 117.9073 57.1869 41.3319 177.7221 119 L 3.9500 7.9128 120.8591 58.5122 41.9664 179.1375 120 L 4.0385 8.0106 118.6410 57.4989 41.4037 179.4576 121 K 3.9519 8.3096 119.8712 59.5194 32.0172 178.6026 122 D 4.3637 8.1714 119.2348 57.5058 40.6549 178.9322 123 I 3.5494 7.7057 120.1197 64.0766 36.9822 178.1924 124 L 3.9383 8.1611 121.4755 58.2115 41.9746 178.6375 125 E 3.9132 8.4880 119.5061 59.3543 29.5200 178.6996 126 S 4.2408 7.8666 113.2547 61.0409 62.4072 175.9600 127 E 4.1031 8.6143 121.9753 59.4584 29.1673 179.1402 128 E 4.0331 8.5981 118.8526 59.2301 29.3940 179.2314 129 E 4.0240 8.2553 118.9267 59.6305 29.5081 178.8051 130 H 4.3666 8.2899 118.3570 59.3750 29.9605 177.3891 131 I 3.7317 8.1397 121.8993 64.2541 36.8662 177.8964 132 D 4.3222 8.3092 119.0298 57.4188 41.0737 177.4285 133 Y 4.1204 8.2777 120.1574 60.9494 38.7958 178.3771 134 L 3.7602 8.1439 119.5872 57.7523 41.6494 179.4374 135 E 3.9101 8.1999 118.4821 59.6693 29.3288 179.3841 136 T 3.7863 7.7648 115.7621 66.7686 68.5028 176.6007 137 Q 3.7776 7.8251 119.7610 58.9420 28.3587 178.9466 138 L 3.8981 7.8655 120.0795 57.5216 41.6218 179.8025 139 G 3.6187 8.2585 106.0779 47.6375 0.0000 175.8280 140 L 3.9788 7.9795 121.5635 57.6128 41.7225 179.3023 141 I 3.5653 7.3067 119.7083 64.8354 36.7870 178.4487 142 Q 4.0088 7.4486 116.1037 58.6268 28.6031 178.3074 143 K 4.2012 7.8038 118.5126 58.0860 32.4473 178.6510 144 V 4.2399 8.4252 110.4016 59.8105 33.3098 176.7992 145 G 4.0287 7.6250 105.8300 45.7447 0.0000 174.3307 146 L 3.9750 8.5965 123.2750 58.0832 42.0530 179.4253 147 E 3.9647 8.1190 117.8329 59.5966 29.4618 178.7205 148 N 4.2801 8.2490 115.9838 56.6671 38.3687 176.6009 149 Y 3.9936 7.9904 119.6632 60.6657 39.0918 177.8466 150 L 4.0919 8.2459 120.0213 57.6469 41.8831 178.9668 151 Q 3.9000 8.2984 119.8518 59.5379 28.7885 178.7919 152 S 4.2224 8.0569 113.7806 60.4706 63.0226 174.6395 153 H 4.5528 7.7502 118.4209 55.6585 29.3293 176.3444 154 M 4.2309 7.9412 120.7106 58.0165 31.9473 176.1359 155 H 5.0556 7.5627 114.1035 54.2186 30.4236 175.1899 156 E 4.1302 8.6549 121.1508 56.8044 29.2881 176.9120 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 G 8.30 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 4 D 8.57 4.15 0.00 2.85 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 9.48 3.94 0.00 1.84 1.78 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.52 7.81 6 K 8.04 4.24 0.00 1.93 1.63 0.00 2.01 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.31 7.81 7 V 8.40 3.69 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 1.09 0.00 0.00 1.01 0.00 0.00 8 I 7.67 3.80 2.00 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 1.52 0.56 0.91 0.00 0.00 9 Q 8.06 3.99 0.00 2.22 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 10 H 8.66 4.26 0.00 3.32 3.34 0.00 5.62 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 11 L 8.38 4.04 0.00 1.79 1.74 0.96 0.62 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 12 N 8.63 4.33 0.00 2.82 2.86 0.00 0.00 6.69 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 13 K 8.02 3.93 0.00 1.91 1.96 0.00 1.61 0.00 0.00 1.64 0.00 0.00 3.33 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 7.82 3.70 2.01 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 1.72 0.70 0.92 0.00 0.00 15 L 8.30 4.03 0.00 1.81 1.83 0.92 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.20 3.63 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 0.00 0.00 0.00 17 N 8.10 4.38 0.00 2.98 2.88 0.00 0.00 6.99 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 18 E 8.40 3.97 0.00 2.12 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 2.57 2.53 0.00 19 L 8.23 3.96 0.00 1.76 1.69 0.90 0.76 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 20 I 7.59 3.64 1.97 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 1.41 0.75 0.88 0.00 0.00 21 A 7.75 3.22 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 22 I 7.84 3.59 1.97 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 1.55 0.78 0.87 0.00 0.00 23 N 7.78 4.33 0.00 2.72 2.82 0.00 0.00 6.75 7.90 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 24 Q 8.08 3.83 0.00 2.03 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 25 Y 8.18 4.75 0.00 3.03 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 26 F 8.51 4.00 0.00 3.28 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.28 3.97 0.00 1.82 1.71 0.88 1.01 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 28 H 8.28 3.86 0.00 3.29 2.65 0.00 5.70 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 29 S 8.40 4.32 0.00 3.95 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 30 R 7.80 3.85 0.00 1.89 1.89 0.00 3.00 0.00 0.00 2.65 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 31 M 8.10 3.46 0.00 0.89 1.55 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.23 0.00 32 W 7.91 4.36 0.00 3.68 3.29 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 33 N 8.45 4.40 0.00 2.87 2.84 0.00 0.00 6.60 7.61 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 34 D 8.20 4.39 0.00 2.57 2.60 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 35 W 7.83 4.90 0.00 3.71 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 36 G 8.18 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 0.00 0.00 0.00 37 L 7.98 4.75 0.00 2.17 1.64 1.38 0.86 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 38 K 8.63 4.06 0.00 2.08 1.85 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.47 7.81 39 R 7.89 3.85 0.00 2.00 1.88 0.00 3.07 0.00 0.00 3.01 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 40 L 7.74 3.84 0.00 1.13 0.13 0.30 0.30 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 41 G 8.30 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 8.22 4.01 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 43 H 8.17 3.96 0.00 3.27 3.26 0.00 5.79 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 44 E 8.53 4.03 0.00 2.57 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 2.76 2.74 0.00 45 Y 8.06 3.95 0.00 3.01 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 46 H 8.20 4.05 0.00 3.29 3.22 0.00 5.69 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.97 3.85 0.00 1.97 1.64 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 2.19 2.09 0.00 48 S 8.26 4.29 0.00 4.10 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 49 I 7.73 3.60 1.80 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.27 0.83 0.00 0.00 50 D 8.06 4.29 0.00 2.83 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.14 4.20 0.00 2.19 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 2.72 2.71 0.00 52 M 8.07 4.06 0.00 2.03 2.22 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.54 0.00 53 K 8.05 4.00 0.00 1.83 1.81 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.64 7.81 54 H 8.07 4.26 0.00 3.40 3.34 0.00 5.64 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 55 A 8.12 4.02 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 56 D 8.16 4.27 0.00 2.91 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 57 K 8.01 4.06 0.00 2.00 1.86 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.65 7.81 58 L 8.02 3.99 0.00 1.88 1.73 0.98 0.59 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 59 I 7.92 3.71 2.03 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 1.53 0.80 0.92 0.00 0.00 60 E 8.25 4.01 0.00 2.17 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 2.44 0.00 61 R 8.27 4.01 0.00 2.03 2.11 0.00 3.33 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 62 I 8.15 3.73 2.02 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 1.54 0.63 0.97 0.00 0.00 63 L 8.13 4.02 0.00 2.06 1.78 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.17 4.33 0.00 2.98 3.29 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 65 L 7.86 3.97 0.00 1.84 1.59 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.86 3.53 0.00 2.06 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 2.16 2.25 0.00 67 G 8.16 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 0.00 0.00 0.00 68 L 8.00 4.47 0.00 1.63 1.64 0.91 1.01 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 69 P 0.00 4.39 0.00 2.04 1.98 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 70 N 9.39 4.66 0.00 2.60 2.81 0.00 0.00 7.07 7.72 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 71 L 8.31 4.60 0.00 1.62 1.62 0.91 0.94 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 72 Q 8.60 4.15 0.00 1.96 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.51 6.65 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 73 D 8.09 4.71 0.00 2.68 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 74 L 8.32 4.58 0.00 1.51 1.51 0.88 1.06 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 75 G 8.38 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 76 K 8.38 4.29 0.00 1.97 1.72 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.37 1.02 7.81 77 L 8.35 4.16 0.00 1.63 1.54 0.87 0.96 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 78 L 8.76 4.49 0.00 1.73 1.66 0.96 1.11 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 79 I 8.09 4.33 1.88 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 1.33 0.79 0.90 0.00 0.00 80 G 8.67 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 9.16 4.71 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.24 0.00 82 N 7.71 5.23 0.00 2.93 2.88 0.00 0.00 6.24 7.22 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 83 T 8.67 4.46 4.52 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 1.56 0.00 0.00 84 Q 8.30 4.00 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 85 E 8.93 4.07 0.00 2.43 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 2.37 0.00 86 M 8.53 3.93 0.00 1.29 2.13 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.12 0.00 87 L 8.50 4.17 0.00 1.91 1.76 0.85 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.10 4.00 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 89 C 8.63 4.22 0.00 3.25 3.20 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 90 D 8.48 4.70 0.00 2.98 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 91 L 8.18 4.01 0.00 1.78 1.87 0.93 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.41 4.35 0.00 2.96 2.88 0.00 0.00 6.64 6.34 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 93 L 8.01 3.97 0.00 1.96 1.97 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.71 4.08 0.00 2.17 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 2.72 2.49 0.00 95 L 8.21 4.03 0.00 1.84 1.74 0.94 0.44 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 96 K 8.01 3.97 0.00 1.86 1.96 0.00 1.53 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.51 7.81 97 A 8.14 4.00 1.43 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 0.00 0.00 98 T 8.10 3.82 4.62 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 1.27 0.00 0.00 99 K 7.99 3.96 0.00 1.92 1.95 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.49 7.81 100 D 8.35 4.41 0.00 2.87 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 0.00 101 L 8.11 3.98 0.00 1.97 1.72 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.03 3.92 0.00 2.00 2.01 0.00 3.14 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 103 E 8.09 3.96 0.00 2.13 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 0.00 2.35 2.44 0.00 104 A 8.18 3.63 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 0.00 105 I 8.01 3.63 2.01 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 1.42 0.66 0.93 0.00 0.00 106 V 7.95 3.56 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 1.07 0.00 0.00 1.00 0.00 0.00 107 H 8.02 4.03 0.00 3.26 3.30 0.00 5.85 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 0.00 108 C 8.16 3.95 0.00 3.11 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 0.00 109 E 8.29 3.87 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 110 Q 7.92 3.94 0.00 2.01 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.94 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 111 V 7.19 3.93 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.76 0.00 0.00 112 H 7.27 3.03 0.00 3.17 3.20 0.00 5.66 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.20 4.48 0.00 2.61 2.44 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 0.00 114 Y 7.44 4.36 0.00 3.11 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 0.00 115 V 7.80 3.74 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 1.09 0.00 0.00 1.01 0.00 0.00 116 S 8.73 4.20 0.00 3.97 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 0.00 117 R 8.02 3.92 0.00 1.93 2.16 0.00 3.18 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 118 D 8.29 4.31 0.00 3.02 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 0.00 119 L 7.91 3.95 0.00 1.79 1.89 0.95 0.74 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 0.00 120 L 8.01 4.04 0.00 1.90 1.71 0.93 0.93 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 0.00 121 K 8.31 3.95 0.00 1.91 1.98 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.64 7.81 122 D 8.17 4.36 0.00 2.95 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 0.00 123 I 7.71 3.55 1.98 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 1.19 0.84 0.81 0.00 0.00 124 L 8.16 3.94 0.00 1.84 1.85 0.94 1.13 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 0.00 125 E 8.49 3.91 0.00 2.07 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 0.00 2.33 2.34 0.00 126 S 7.87 4.24 0.00 3.94 4.08 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 0.00 0.00 0.00 0.00 127 E 8.61 4.10 0.00 2.04 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 0.00 2.63 2.54 0.00 128 E 8.60 4.03 0.00 2.16 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 2.36 2.49 0.00 129 E 8.26 4.02 0.00 2.22 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 2.37 2.53 0.00 130 H 8.29 4.37 0.00 3.26 3.52 0.00 5.61 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 0.00 131 I 8.14 3.73 2.04 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.89 0.93 0.00 0.00 132 D 8.31 4.32 0.00 2.90 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 0.00 133 Y 8.28 4.12 0.00 3.16 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 0.00 134 L 8.14 3.76 0.00 2.08 1.67 1.12 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.20 3.91 0.00 2.06 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 2.47 0.00 136 T 7.76 3.79 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 1.18 0.00 0.00 137 Q 7.83 3.78 0.00 1.90 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 1.21 2.05 0.00 138 L 7.87 3.90 0.00 1.71 1.61 0.85 0.80 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 0.00 139 G 8.26 3.62 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 0.00 140 L 7.98 3.98 0.00 1.80 1.86 1.03 1.18 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 0.00 141 I 7.31 3.57 1.74 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 -0.22 0.84 0.00 0.00 142 Q 7.45 4.01 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 143 K 7.80 4.20 0.00 1.75 1.86 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.61 7.81 144 V 8.43 4.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.14 0.00 0.00 145 G 7.62 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.60 3.98 0.00 1.77 1.69 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.12 3.96 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 2.40 2.40 0.00 148 N 8.25 4.28 0.00 2.95 2.90 0.00 0.00 6.70 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 7.99 3.99 0.00 2.98 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 0.00 150 L 8.25 4.09 0.00 1.89 1.74 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.30 3.90 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 152 S 8.06 4.22 0.00 3.80 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 0.00 153 H 7.75 4.55 0.00 3.03 3.05 0.00 5.81 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 7.94 4.23 0.00 1.92 2.05 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 2.57 2.45 0.00 155 H 7.56 5.06 0.00 3.10 3.16 0.00 5.72 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.65 4.13 0.00 1.95 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 0.00 2.41 2.30 0.00