NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2419 8.3044 120.3326 55.1756 33.1889 175.3951 2 D 4.3632 8.1657 125.6974 53.1555 43.4943 174.8920 3 N 4.2645 9.4861 124.1126 56.7607 38.8277 177.3422 4 R 3.8938 7.8582 117.3995 59.3600 30.4411 178.8613 5 V 3.7045 7.6048 117.4608 65.9525 31.4916 178.1210 6 R 3.8615 8.3347 118.3537 59.1222 29.8716 178.5922 7 E 4.0265 8.2873 119.0361 59.1605 29.5936 178.6395 8 A 4.3102 7.9304 120.6691 55.4391 18.4072 179.0692 9 C 4.5763 8.2065 116.8759 62.8441 31.0783 175.8604 10 Q 4.1175 8.1964 119.7613 59.0795 28.2532 178.2517 11 Y 4.2438 8.1266 119.9270 60.9662 38.8274 177.7077 12 I 3.4421 7.8248 119.3552 64.1817 37.5462 177.9335 13 S 4.1787 8.5675 114.5481 61.5883 61.9857 175.8832 14 D 4.3973 7.6527 118.3162 56.9631 41.2243 176.7982 15 H 4.6529 7.5096 114.9679 55.4701 28.7750 176.8568 16 L 3.7890 7.4823 125.0084 57.4431 42.0213 177.8740 17 A 4.3474 7.6906 119.5801 53.0384 19.6382 177.0130 18 D 4.4764 7.4184 114.8250 54.7355 41.9504 176.3463 19 S 4.2828 8.6475 121.3063 61.0979 63.4277 174.8358 20 N 4.6049 7.6193 120.4596 52.5325 37.4630 174.1051 21 F 4.9941 8.6669 125.8254 56.2426 41.2372 174.3349 22 D 4.5609 8.1213 127.1131 51.9648 42.3972 176.0890 23 I 3.2783 7.8982 127.2182 63.6394 37.7784 177.2966 24 A 3.9304 8.0013 121.4262 55.4224 18.2727 179.6343 25 S 4.0084 7.9324 113.1327 61.3200 62.6221 177.2147 26 V 3.7432 7.6316 120.5538 66.0557 31.3557 177.8331 27 A 3.9428 7.7941 120.0915 55.1550 18.1198 179.3655 28 Q 3.8454 8.0877 118.1839 59.5217 28.8576 177.8843 29 H 4.0287 7.9797 118.9148 58.8913 29.9576 175.9641 30 V 4.0729 7.2060 109.8955 60.4412 31.3335 175.3589 31 C 4.1316 8.0599 116.1474 60.4911 26.1353 172.5744 32 L 4.8033 7.9826 118.2706 52.3613 45.4589 176.2162 33 S 4.4512 8.2813 117.7512 57.4012 64.8715 173.8714 34 P 4.2645 0.0000 0.0000 66.1586 31.2183 179.0580 35 S 4.2482 7.8759 115.8227 60.8060 62.7634 176.4552 36 R 3.8987 7.8878 120.9260 59.2817 29.8944 178.1739 37 L 4.0449 8.0920 120.4378 58.1393 42.0254 178.9574 38 S 4.1865 8.4664 114.7657 61.6861 62.4706 175.9149 39 H 4.1052 8.3545 121.7510 59.2147 29.6856 177.3526 40 L 4.0802 7.8822 120.7081 57.3204 41.3749 179.1982 41 F 3.6687 8.6015 121.3655 61.3929 39.4232 177.3064 42 R 4.9307 8.1856 119.3239 58.6723 29.5741 178.2014 43 Q 3.9648 7.4717 118.7609 58.9958 29.1737 177.4915 44 Q 4.0639 8.3754 118.3845 58.2876 29.3738 177.4997 45 L 4.1529 8.5509 120.6729 54.7587 42.0516 178.0164 46 G 4.0041 8.2512 105.6487 45.8686 0.0000 172.6342 47 I 4.6528 7.1518 111.0845 58.2681 41.0210 174.2328 48 S 4.6950 8.4617 116.3303 58.0111 64.7247 175.5358 49 V 3.8089 8.5175 124.3037 66.5330 31.0543 178.5067 50 L 4.1595 8.0325 118.0703 57.8248 41.4601 179.3506 51 S 4.1784 8.0317 112.7092 61.0341 62.5237 175.6799 52 W 4.2966 8.6910 131.4600 60.4972 30.4314 177.8251 53 R 3.3016 8.2609 118.5573 59.2730 29.5435 178.1509 54 E 3.8987 7.8816 119.0888 59.1511 29.6771 177.9984 55 D 4.2881 8.3908 118.5277 57.7579 41.2099 178.5236 56 Q 3.8879 7.8140 118.2215 58.7002 28.5644 178.8812 57 R 3.7918 7.6598 119.2392 59.3127 30.0684 179.2265 58 I 3.8599 7.7357 119.4488 64.4758 37.1812 178.3868 59 S 4.1095 8.0954 114.0182 61.4884 62.0791 176.0641 60 Q 3.9446 8.5109 122.4799 58.8476 28.7180 177.9172 61 A 3.8560 7.9784 122.1462 55.0303 18.2598 179.8112 62 K 4.0534 8.2088 116.2438 59.7919 32.5642 179.0407 63 L 4.1285 8.0687 121.8443 57.9677 42.1159 178.9657 64 L 4.0042 8.2493 120.2562 58.8189 40.0465 179.0249 65 L 4.3401 8.4170 121.4945 56.8782 41.2339 179.6627 66 S 4.2182 7.6654 113.0503 60.7782 63.1636 174.8705 67 T 4.3885 7.4915 114.4009 61.5265 67.5770 173.6366 68 T 4.7564 7.4416 108.7820 60.3374 71.7971 174.1101 69 R 4.5738 8.2949 116.6791 56.0739 29.9939 175.7424 70 M 4.2607 7.7733 117.5120 54.6478 32.7465 174.9111 71 P 4.4976 0.0000 0.0000 62.6050 33.6813 177.4525 72 I 3.5895 8.3278 118.9815 64.3706 36.6766 178.6132 73 A 3.9775 7.8187 120.5169 55.4934 18.5517 179.3989 74 T 3.9270 7.7213 113.7685 66.7056 68.7500 176.9628 75 V 3.5050 7.9847 120.6318 65.9396 31.3682 178.1396 76 G 3.3609 7.7781 105.2769 47.9046 0.0000 175.7089 77 R 4.0997 7.7421 120.0079 59.2025 29.7999 178.8723 78 N 4.3596 7.7367 115.2562 55.5512 38.4492 176.7485 79 V 4.1933 7.2062 111.2252 60.5935 32.1884 176.8539 80 G 3.9272 7.9197 105.9700 45.7703 0.0000 174.1511 81 F 4.5059 8.6290 119.8293 56.9057 39.0957 175.4370 82 D 4.5257 8.7961 126.3348 56.1937 41.3986 177.0559 83 D 4.8426 8.0245 120.0788 52.7956 42.1387 177.1122 84 Q 4.1486 8.7520 124.0996 59.5690 28.7211 178.6882 85 L 4.3098 7.9766 121.8130 56.9175 41.7256 178.5452 86 Y 4.4468 8.1165 119.3151 60.7497 38.7796 177.8863 87 F 4.2159 8.4247 121.9897 61.3526 39.4210 177.3291 88 S 4.0041 8.0158 114.1093 61.3000 62.6044 176.6771 89 R 3.9134 8.4982 122.0763 59.0597 29.9194 179.2764 90 V 3.6452 7.7584 117.9089 66.0286 31.6080 177.8321 91 F 3.7524 8.3313 120.7544 60.7454 38.9268 176.8275 92 K 4.3520 8.1260 121.1214 59.0877 31.8082 178.9339 93 K 3.9172 7.3868 115.4143 58.8061 32.0010 178.5968 94 C 4.0223 7.5114 119.0219 62.1992 31.5543 174.9665 95 T 4.1838 7.1712 106.9136 61.0494 69.4734 175.2189 96 G 3.8624 8.8660 110.3458 44.9333 0.0000 173.2106 97 A 4.7040 7.3174 120.5707 49.0745 22.6215 175.9985 98 S 4.7530 8.4498 115.7810 57.6801 65.1987 173.8872 99 P 4.3658 0.0000 0.0000 66.0508 31.2340 178.6278 100 S 4.1026 8.0607 112.5671 60.8902 62.3258 175.6692 101 E 3.9601 8.1216 122.0099 59.1249 29.2687 178.4179 102 F 4.4233 7.9788 118.9834 61.5454 39.5892 176.7211 103 R 3.7398 8.0199 116.7603 59.3001 29.9252 178.0856 104 A 4.1328 7.7500 119.3690 52.9802 18.3715 178.6122 105 G 3.8029 7.7500 104.2628 45.7547 0.0000 173.0546 106 C 4.3027 7.7617 119.5072 58.6390 32.2964 173.2365 107 E 4.1932 8.7189 124.8457 56.7937 29.0695 176.6871 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 M 8.30 4.24 0.00 1.90 1.97 0.00 0.00 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 2 D 8.17 4.36 0.00 2.75 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.49 4.26 0.00 2.75 2.85 0.00 0.00 6.99 7.65 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 4 R 7.86 3.89 0.00 1.75 1.99 0.00 3.20 0.00 0.00 3.14 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 5 V 7.60 3.70 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 0.01 0.00 0.00 0.78 0.00 0.00 6 R 8.33 3.86 0.00 2.06 1.96 0.00 3.28 0.00 0.00 3.05 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 7 E 8.29 4.03 0.00 2.25 2.02 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 2.22 2.46 0.00 8 A 7.93 4.31 1.70 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 0.00 0.00 9 C 8.21 4.58 0.00 3.20 3.34 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 10 Q 8.20 4.12 0.00 2.44 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.66 0.00 0.00 0.00 0.00 0.00 2.55 2.63 0.00 11 Y 8.13 4.24 0.00 2.87 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 7.82 3.44 2.11 0.00 0.00 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 1.67 0.99 0.66 0.00 0.00 13 S 8.57 4.18 0.00 3.97 4.13 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 0.00 0.00 0.00 14 D 7.65 4.40 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 15 H 7.51 4.65 0.00 2.84 3.15 0.00 5.69 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.48 3.79 0.00 1.70 1.62 0.71 0.78 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 17 A 7.69 4.35 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.42 4.48 0.00 2.58 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 19 S 8.65 4.28 0.00 3.91 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 20 N 7.62 4.60 0.00 2.88 2.85 0.00 0.00 6.97 7.34 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 21 F 8.67 4.99 0.00 2.87 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 22 D 8.12 4.56 0.00 2.71 2.45 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 23 I 7.90 3.28 1.65 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 1.46 1.03 0.80 0.00 0.00 24 A 8.00 3.93 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 25 S 7.93 4.01 0.00 4.22 3.67 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 26 V 7.63 3.74 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 1.11 0.00 0.00 1.24 0.00 0.00 27 A 7.79 3.94 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 28 Q 8.09 3.85 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 29 H 7.98 4.03 0.00 2.84 3.46 0.00 5.99 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 30 V 7.21 4.07 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 0.86 0.00 0.00 1.05 0.00 0.00 31 C 8.06 4.13 0.00 3.05 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 32 L 7.98 4.80 0.00 1.65 1.48 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.28 4.45 0.00 3.90 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 34 P 0.00 4.26 0.00 2.23 2.26 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 35 S 7.88 4.25 0.00 3.89 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 36 R 7.89 3.90 0.00 1.92 1.93 0.00 3.20 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 37 L 8.09 4.04 0.00 1.90 1.77 1.06 0.74 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 38 S 8.47 4.19 0.00 4.05 4.16 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 39 H 8.35 4.11 0.00 3.45 3.53 0.00 5.78 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 40 L 7.88 4.08 0.00 1.72 1.70 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.60 3.67 0.00 3.27 3.07 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 42 R 8.19 4.93 0.00 2.00 1.92 0.00 3.21 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 43 Q 7.47 3.96 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 44 Q 8.38 4.06 0.00 1.79 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.64 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 45 L 8.55 4.15 0.00 1.63 1.62 -0.10 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.25 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 0.00 0.00 0.00 47 I 7.15 4.65 1.97 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.79 1.03 0.00 0.00 48 S 8.46 4.69 0.00 3.98 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 49 V 8.52 3.81 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 1.08 0.00 0.00 0.46 0.00 0.00 50 L 8.03 4.16 0.00 1.82 1.80 0.98 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.03 4.18 0.00 3.97 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 52 W 8.69 4.30 0.00 3.54 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.26 3.30 0.00 2.00 2.04 0.00 2.61 0.00 0.00 2.75 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.35 0.00 54 E 7.88 3.90 0.00 2.10 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 2.32 2.38 0.00 55 D 8.39 4.29 0.00 2.87 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 56 Q 7.81 3.89 0.00 1.70 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.62 0.00 0.00 0.00 0.00 0.00 1.79 1.58 0.00 57 R 7.66 3.79 0.00 1.93 1.85 0.00 3.24 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 58 I 7.74 3.86 1.84 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 1.59 0.77 0.95 0.00 0.00 59 S 8.10 4.11 0.00 3.96 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 60 Q 8.51 3.94 0.00 2.25 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.57 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 61 A 7.98 3.86 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 62 K 8.21 4.05 0.00 2.23 2.36 0.00 1.76 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.79 1.57 7.81 63 L 8.07 4.13 0.00 1.96 1.86 0.93 0.37 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 64 L 8.25 4.00 0.00 1.88 1.91 0.82 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.42 4.34 0.00 1.93 1.74 0.86 0.56 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 66 S 7.67 4.22 0.00 4.02 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 67 T 7.49 4.39 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 1.30 0.00 0.00 68 T 7.44 4.76 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 69 R 8.29 4.57 0.00 1.84 1.96 0.00 3.06 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.63 0.00 70 M 7.77 4.26 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.49 0.00 71 P 0.00 4.50 0.00 2.24 2.16 0.00 3.67 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 72 I 8.33 3.59 1.91 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 0.87 1.11 0.00 0.00 73 A 7.82 3.98 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 74 T 7.72 3.93 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 75 V 7.98 3.50 1.78 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 0.61 0.00 0.00 0.86 0.00 0.00 76 G 7.78 3.36 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 0.00 77 R 7.74 4.10 0.00 2.01 1.97 0.00 3.13 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 78 N 7.74 4.36 0.00 2.75 2.77 0.00 0.00 6.98 7.34 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 79 V 7.21 4.19 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 0.61 0.00 0.00 0.40 0.00 0.00 80 G 7.92 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 81 F 8.63 4.51 0.00 2.93 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 82 D 8.80 4.53 0.00 2.65 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 83 D 8.02 4.84 0.00 2.90 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 84 Q 8.75 4.15 0.00 2.35 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.93 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 85 L 7.98 4.31 0.00 1.77 1.85 0.97 1.00 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 86 Y 8.12 4.45 0.00 2.99 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 87 F 8.42 4.22 0.00 3.16 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 88 S 8.02 4.00 0.00 4.05 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 89 R 8.50 3.91 0.00 2.19 2.11 0.00 3.20 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 1.71 1.89 0.00 90 V 7.76 3.65 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 1.08 0.00 0.00 0.98 0.00 0.00 91 F 8.33 3.75 0.00 2.10 2.45 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 92 K 8.13 4.35 0.00 1.89 2.07 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.32 7.81 93 K 7.39 3.92 0.00 1.74 1.80 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.19 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.45 7.81 94 C 7.51 4.02 0.00 2.86 2.48 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 0.00 0.00 0.00 0.00 95 T 7.17 4.18 3.84 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 0.60 0.00 0.00 96 G 8.87 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 97 A 7.32 4.70 1.22 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 0.00 0.00 98 S 8.45 4.75 0.00 4.10 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 99 P 0.00 4.37 0.00 2.16 1.71 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.86 0.00 100 S 8.06 4.10 0.00 3.93 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 0.00 101 E 8.12 3.96 0.00 2.10 2.15 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 2.38 2.37 0.00 102 F 7.98 4.42 0.00 3.10 3.21 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 0.00 103 R 8.02 3.74 0.00 1.91 1.92 0.00 3.27 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 104 A 7.75 4.13 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 0.00 105 G 7.75 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 0.00 106 C 7.76 4.30 0.00 2.96 2.87 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 0.00 107 E 8.72 4.19 0.00 2.01 1.87 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 2.33 2.32 0.00