NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5964 8.2076 120.1963 54.4470 41.2950 174.6453 2 S 4.5393 8.4244 120.5026 57.5136 64.3119 168.1655 3 V 4.9876 9.2561 121.1384 61.2401 34.9183 175.7545 4 L 4.7508 9.2677 129.0149 53.4316 44.8058 175.6612 5 L 4.8629 9.6014 126.9402 53.2888 44.0083 176.7621 6 S 4.5786 8.4708 117.5979 60.5965 63.0024 175.4600 7 G 3.9823 9.5211 114.4865 44.9939 0.0000 172.6198 8 Q 4.7762 8.3454 119.1653 54.7594 32.2213 174.3972 9 T 4.6802 8.1130 115.2176 62.3908 72.6425 173.8639 10 L 4.4044 9.4216 130.2220 53.9456 42.9748 175.6805 11 Y 4.5128 8.5168 124.1742 56.8156 39.7829 175.3072 12 A 4.2090 7.8546 124.0400 54.3261 18.6460 178.3975 13 G 3.9996 9.2780 112.5787 45.2411 0.0000 173.2371 14 H 5.0753 8.1000 116.8360 55.0916 30.9124 174.4970 15 S 4.9676 8.3153 114.8232 56.9873 67.0824 173.9021 16 L 4.9429 8.6486 122.5254 54.1274 43.0489 175.8614 17 T 5.1320 8.0260 115.1253 60.8240 71.1677 173.4763 18 S 4.3802 9.4421 116.9548 58.4990 66.1099 175.6517 19 G 3.7794 8.5581 119.8351 47.3066 0.0000 174.1694 20 S 4.3090 8.4616 119.2127 58.4458 63.6445 172.6776 21 Y 5.3240 8.0178 120.2029 57.2841 39.9374 174.8003 22 T 5.2285 9.0531 118.9311 61.7015 73.2518 172.6195 23 L 5.0177 8.8677 127.0099 53.6354 44.8922 175.1435 24 T 5.0895 9.1707 122.9238 60.5855 72.5480 173.0232 25 I 4.4745 8.2734 126.5238 59.8905 39.2118 175.4688 26 Q 4.6120 8.9314 129.8781 54.8742 28.4904 177.1790 27 N 4.4150 8.6375 116.0759 56.4275 38.8069 177.4184 28 N 4.2570 7.9677 114.8438 54.4926 37.6711 176.6258 29 C 4.0001 8.1749 117.9775 55.8085 42.5572 171.7722 30 N 4.6809 9.2216 118.3424 52.8810 40.4870 173.4985 31 L 4.6728 8.5900 128.3971 53.7868 43.3825 175.2284 32 V 4.5416 8.6896 126.7567 60.6913 35.1411 174.0307 33 K 4.8996 8.7082 126.7862 54.9350 34.7828 174.5305 34 Y 5.3223 9.0348 124.9835 56.4645 42.0704 174.9210 35 Q 4.5929 8.9520 122.3975 55.1563 32.3750 174.6063 36 H 4.3596 9.5678 125.5755 57.0582 26.6790 176.5984 37 G 3.8614 8.4946 108.1505 45.2542 0.0000 174.3832 38 R 4.6623 7.5040 115.9660 54.1764 31.3074 175.4870 39 Q 4.3672 8.8110 121.7759 56.4108 29.6863 175.2950 40 I 4.4544 9.1244 126.9519 62.4406 39.2130 175.6977 41 W 5.2314 7.7963 128.9274 56.5115 33.9405 173.2080 42 A 4.3626 6.5509 123.7174 50.4193 21.4644 177.3988 43 S 3.3527 7.9064 114.9201 58.2412 63.6431 174.0225 44 D 4.2476 6.8503 119.8889 56.2007 38.5959 174.0164 45 T 4.5645 8.5836 111.9122 63.1152 69.3000 174.8873 46 D 4.4962 7.8102 121.3487 54.4099 39.8430 177.8125 47 G 4.0085 9.1835 108.8719 46.4994 0.0000 175.1786 48 Q 4.3139 7.8729 116.8936 55.9762 28.7609 176.1155 49 G 4.1091 6.7406 106.8254 45.4630 0.0000 172.7867 50 S 4.7431 7.7360 114.6722 57.0098 65.5033 173.5076 51 Q 4.0960 7.8109 116.8016 57.3475 26.2669 173.7164 52 C 5.0386 7.9899 114.0231 56.8591 42.2299 173.0324 53 R 5.1070 9.1509 116.0688 54.5382 33.1324 173.6583 54 L 5.1819 8.7604 122.0235 53.6233 45.1331 175.0800 55 T 5.0727 8.6931 119.7390 59.0566 71.5413 172.0618 56 L 4.7501 8.4570 129.7027 53.9758 43.6595 176.3322 57 R 4.6452 9.0458 126.5810 55.4791 31.9065 177.3856 58 S 4.5553 8.7172 112.4092 59.0472 63.1038 174.6520 59 D 4.6617 7.9917 119.2468 53.2841 39.4254 177.4227 60 G 3.3567 7.9284 106.4767 45.6260 0.0000 173.2827 61 N 4.8014 7.8349 120.0406 52.0688 40.3117 173.4299 62 L 4.9985 9.6352 130.2403 54.1105 43.7793 175.1884 63 I 5.0878 8.5883 126.7018 59.5766 41.0176 174.3852 64 I 4.8488 8.8543 126.2959 60.0048 39.2385 174.4947 65 Y 5.2407 8.9166 124.8967 56.3104 41.4348 175.2945 66 D 5.2018 8.6872 122.3498 52.0575 41.9127 176.7716 67 D 4.5764 8.3404 117.0575 55.2921 39.4847 176.7111 68 N 4.7480 8.1751 116.3132 53.0241 38.7675 174.8002 69 N 4.2858 8.0595 113.4854 54.0449 36.8985 174.1977 70 M 4.4256 9.1916 120.2786 54.4617 32.8701 176.2964 71 V 4.0466 8.3760 122.7195 63.1434 32.3193 175.5939 72 V 4.4457 7.9778 124.3384 62.7749 33.8416 175.1641 73 W 4.3512 7.9800 126.7690 56.9939 33.4060 173.1715 74 G 4.1240 6.5927 110.7501 44.6944 0.0000 173.9506 75 S 3.3954 8.4192 118.0656 58.3515 63.3169 173.9816 76 D 4.4286 6.9824 118.2576 54.2323 39.6048 173.0747 77 C 4.1968 8.6415 118.4358 58.0201 35.3812 172.2682 78 W 5.1902 7.2010 122.8367 54.9996 31.0301 174.4716 79 G 4.0126 8.9985 111.0953 46.0448 0.0000 173.2754 80 N 5.1908 9.2023 122.7985 51.1760 40.2045 174.1269 81 N 4.4213 8.5583 120.3651 52.8804 40.4050 175.8018 82 G 3.9895 7.0544 109.9280 46.5608 0.0000 171.7531 83 T 4.6623 7.7170 118.4928 62.1996 71.8926 173.1972 84 Y 4.9343 9.5135 124.4526 56.3820 41.2711 174.7182 85 A 5.0639 8.4523 121.0913 50.2321 22.6025 174.8321 86 L 5.0772 9.5762 126.7241 54.0642 43.6050 175.7227 87 V 4.9471 9.1154 126.4096 59.9275 34.6856 174.6962 88 L 4.9359 8.7732 126.7327 53.5111 42.2031 176.0492 89 Q 4.3287 8.4787 126.1230 55.8462 29.3983 177.2261 90 Q 4.3194 8.4941 116.1810 57.6741 29.1033 176.5129 91 D 4.5987 8.0424 116.1763 52.9369 39.7892 177.4465 92 G 2.5847 7.3769 108.9307 45.1890 0.0000 174.3523 93 L 4.1602 7.8368 120.0497 54.2789 42.3003 175.7433 94 F 5.3186 7.9046 114.8385 55.0158 40.3861 174.6585 95 V 4.2186 8.8342 123.4834 61.0805 35.1488 173.7974 96 I 4.7581 7.9922 127.0491 60.2090 38.6071 174.5676 97 Y 4.5424 8.4196 124.6430 57.6069 40.0466 175.4004 98 G 3.8231 8.1271 113.0363 41.0000 0.0000 172.1775 99 P 3.5061 0.0000 0.0000 62.7443 31.7557 176.5134 100 V 3.1363 7.6726 120.5895 61.2531 32.1182 174.9866 101 L 4.2726 8.8301 128.9172 56.3806 42.8828 175.4104 102 W 5.4257 7.8068 126.3138 56.3579 33.9636 174.9886 103 P 2.9700 0.0000 0.0000 65.4241 28.6608 174.3822 104 L 3.5008 8.3188 123.0906 56.2748 38.9741 176.7633 105 G 3.8841 8.5367 116.5662 45.9510 0.0000 174.3738 106 L 4.3661 8.2713 122.8798 54.0944 45.1872 174.7269 107 N 3.7597 8.8809 118.7696 54.8695 38.8441 174.6669 108 G 3.8437 8.4775 106.1800 45.5772 0.0000 172.2984 109 C 4.9999 8.3644 122.4554 56.9265 34.2533 173.5908 110 R 4.1729 8.4572 127.0170 56.3532 30.2165 176.2032 111 S 4.6576 8.5622 116.9466 58.2809 65.0967 173.8371 112 L 4.6241 7.5543 120.3565 53.5722 43.8744 175.8813 113 N 4.5455 8.4145 117.6433 54.6982 39.1898 174.7854 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 D 8.21 4.60 0.00 2.72 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 2 S 8.42 4.54 0.00 4.23 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 0.00 3 V 9.26 4.99 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 nan 0.00 0.00 0.98 0.00 0.00 4 L 9.27 4.75 0.00 1.76 1.54 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 5 L 9.60 4.86 0.00 1.71 1.62 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.47 4.58 0.00 3.98 3.94 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 7 G 9.52 3.98 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 0.00 8 Q 8.35 4.78 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 9 T 8.11 4.68 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 0.58 0.00 0.00 10 L 9.42 4.40 0.00 1.65 1.53 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 8.52 4.51 0.00 3.08 2.93 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 12 A 7.85 4.21 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 13 G 9.28 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 14 H 8.10 5.08 0.00 3.28 3.26 0.00 5.56 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.32 4.97 0.00 3.72 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 16 L 8.65 4.94 0.00 1.60 1.60 0.95 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.03 5.13 4.28 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 1.25 0.00 0.00 18 S 9.44 4.38 0.00 3.95 3.76 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 19 G 8.56 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 20 S 8.46 4.31 0.00 3.32 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 21 Y 8.02 5.32 0.00 3.10 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 22 T 9.05 5.23 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 23 L 8.87 5.02 0.00 1.53 1.36 0.54 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 24 T 9.17 5.09 4.36 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 1.33 0.00 0.00 25 I 8.27 4.47 1.80 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 1.30 1.43 0.94 0.00 0.00 26 Q 8.93 4.61 0.00 2.32 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.30 6.57 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 27 N 8.64 4.42 0.00 2.75 2.87 0.00 0.00 6.56 6.92 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 28 N 7.97 4.26 0.00 2.93 3.07 0.00 0.00 6.26 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.17 4.00 0.00 3.25 3.68 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 30 N 9.22 4.68 0.00 2.83 2.54 0.00 0.00 6.74 5.12 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 31 L 8.59 4.67 0.00 1.21 0.89 0.67 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.69 4.54 1.58 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 0.27 0.00 0.00 0.83 0.00 0.00 33 K 8.71 4.90 0.00 1.91 1.77 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.43 7.81 34 Y 9.03 5.32 0.00 2.99 2.78 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 35 Q 8.95 4.59 0.00 2.10 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.33 0.00 0.00 0.00 0.00 0.00 1.69 1.43 0.00 36 H 9.57 4.36 0.00 3.33 3.31 0.00 5.76 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 37 G 8.49 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 38 R 7.50 4.66 0.00 2.11 2.11 0.00 2.83 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 39 Q 8.81 4.37 0.00 1.87 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 40 I 9.12 4.45 2.12 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.20 1.05 0.00 0.00 41 W 7.80 5.23 0.00 3.39 3.05 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 42 A 6.55 4.36 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 43 S 7.91 3.35 0.00 2.88 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 44 D 6.85 4.25 0.00 2.85 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 45 T 8.58 4.56 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 1.27 0.00 0.00 46 D 7.81 4.50 0.00 2.78 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 47 G 9.18 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 48 Q 7.87 4.31 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 49 G 6.74 4.11 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 0.00 0.00 0.00 50 S 7.74 4.74 0.00 4.00 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 51 Q 7.81 4.10 0.00 2.36 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.99 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 52 C 7.99 5.04 0.00 2.89 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 53 R 9.15 5.11 0.00 1.55 1.85 0.00 2.60 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 54 L 8.76 5.18 0.00 1.70 1.47 1.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 55 T 8.69 5.07 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 56 L 8.46 4.75 0.00 1.90 1.80 0.98 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 57 R 9.05 4.65 0.00 2.04 2.00 0.00 3.26 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 58 S 8.72 4.56 0.00 4.10 4.17 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.99 4.66 0.00 3.01 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 7.93 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 61 N 7.83 4.80 0.00 2.98 2.78 0.00 0.00 6.93 6.52 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 62 L 9.64 5.00 0.00 1.86 1.80 1.10 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.59 5.09 1.49 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.62 0.12 0.00 0.00 64 I 8.85 4.85 2.02 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.75 0.93 0.00 0.00 65 Y 8.92 5.24 0.00 2.92 2.83 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 66 D 8.69 5.20 0.00 2.78 2.88 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 67 D 8.34 4.58 0.00 2.87 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 68 N 8.18 4.75 0.00 2.74 2.87 0.00 0.00 7.03 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.06 4.29 0.00 2.87 2.82 0.00 0.00 6.90 7.69 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 70 M 9.19 4.43 0.00 2.02 2.31 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.65 0.00 71 V 8.38 4.05 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 0.67 0.00 0.00 0.95 0.00 0.00 72 V 7.98 4.45 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 0.86 0.00 0.00 1.06 0.00 0.00 73 W 7.98 4.35 0.00 3.39 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 74 G 6.59 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 0.00 0.00 0.00 75 S 8.42 3.40 0.00 3.78 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 76 D 6.98 4.43 0.00 2.49 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 77 C 8.64 4.20 0.00 2.76 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 78 W 7.20 5.19 0.00 3.30 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 79 G 9.00 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 80 N 9.20 5.19 0.00 2.77 2.84 0.00 0.00 6.81 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 81 N 8.56 4.42 0.00 2.71 2.81 0.00 0.00 6.91 7.98 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 82 G 7.05 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 83 T 7.72 4.66 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 1.25 0.00 0.00 84 Y 9.51 4.93 0.00 3.00 2.98 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 85 A 8.45 5.06 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 86 L 9.58 5.08 0.00 1.86 1.84 1.17 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 87 V 9.12 4.95 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 1.17 0.00 0.00 1.05 0.00 0.00 88 L 8.77 4.94 0.00 1.69 1.70 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 89 Q 8.48 4.33 0.00 2.43 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.47 6.54 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 90 Q 8.49 4.32 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.10 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 91 D 8.04 4.60 0.00 2.75 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 92 G 7.38 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 0.00 0.00 0.00 93 L 7.84 4.16 0.00 1.62 1.40 0.81 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 94 F 7.90 5.32 0.00 3.13 2.88 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 95 V 8.83 4.22 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 0.36 0.00 0.00 0.79 0.00 0.00 96 I 7.99 4.76 1.79 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 1.33 0.64 1.07 0.00 0.00 97 Y 8.42 4.54 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 98 G 8.13 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 0.00 0.00 0.00 99 P 0.00 3.51 0.00 1.89 1.73 0.00 3.59 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 100 V 7.67 3.14 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 0.68 0.00 0.00 0.94 0.00 0.00 101 L 8.83 4.27 0.00 1.78 1.68 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 102 W 7.81 5.43 0.00 3.25 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 P 0.00 2.97 0.00 1.97 1.40 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.37 0.00 104 L 8.32 3.50 0.00 1.96 1.75 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 105 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 0.00 106 L 8.27 4.37 0.00 1.59 1.38 0.81 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 107 N 8.88 3.76 0.00 2.87 2.88 0.00 0.00 6.99 7.98 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 0.00 108 G 8.48 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 0.00 0.00 0.00 0.00 109 C 8.36 5.00 0.00 3.08 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 0.00 110 R 8.46 4.17 0.00 1.88 1.84 0.00 3.30 0.00 0.00 3.30 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.57 0.00 111 S 8.56 4.66 0.00 4.00 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 0.00 112 L 7.55 4.62 0.00 1.67 1.71 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 113 N 8.41 4.55 0.00 2.61 2.62 0.00 0.00 6.68 7.56 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