NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.1520 8.2393 120.8419 55.2456 30.9899 175.3888 3 D 5.6108 7.9101 135.0000 52.9573 40.7803 175.1807 4 M 4.3806 7.9557 115.4015 56.0245 32.7816 177.6057 5 G 3.8314 8.0379 108.9711 45.6581 0.0000 173.0689 6 E 4.5250 8.3847 116.1813 54.4656 30.9298 174.4197 7 P 3.8897 0.0000 0.0000 62.7178 31.8044 176.9984 8 K 4.2288 8.6484 121.7320 58.3866 32.8552 177.3834 9 L 4.8134 7.5336 118.0288 52.8232 46.3752 176.1106 10 K 4.9041 8.3960 122.8828 55.5859 34.6364 175.0347 11 I 4.8515 8.9101 127.9146 59.5121 41.9014 174.6551 12 V 4.5826 8.4599 123.8923 61.9738 32.8581 175.2612 13 A 3.7410 9.1623 130.4221 51.7372 19.2048 176.7955 14 M 4.6109 8.5807 122.6681 53.3106 33.8101 175.9188 15 P 4.1691 0.0000 0.0000 65.4998 31.5454 177.9171 16 S 4.2865 7.9011 110.6712 59.8379 63.5840 174.1015 17 D 4.7153 8.0862 122.1345 54.3484 40.5983 176.3007 18 T 4.7496 7.5451 109.4405 60.5402 70.5236 173.5842 19 N 4.6950 8.8559 120.5208 50.5376 39.1223 174.2840 20 P 4.1323 0.0000 0.0000 65.3805 31.4032 177.8949 21 A 4.0729 7.9934 119.8330 53.2858 18.6390 178.0773 22 G 4.0577 8.2096 102.2998 45.2788 0.0000 173.7324 23 N 4.9627 8.1683 117.5140 52.2114 40.5803 174.6541 24 I 4.1684 8.6672 122.5901 61.2640 37.7211 176.2513 25 F 4.3746 9.5074 130.7177 58.4840 39.7956 176.2257 26 G 3.4963 8.9505 112.9741 47.8837 0.0000 175.8461 27 G 3.0542 5.5578 107.2026 46.9277 0.0000 175.4226 28 W 4.1650 7.6906 130.1103 60.3116 30.7453 178.0075 29 I 3.5455 7.6910 119.7832 64.5035 36.6026 178.3763 30 L 3.9319 8.2266 119.9772 57.8242 41.3221 179.9984 31 S 4.0095 7.7119 114.8189 61.6774 62.7052 176.5272 32 Q 3.7414 7.3667 120.2127 58.9011 28.2544 179.2347 33 I 3.6200 7.7728 120.7681 64.3532 37.2333 177.8832 34 D 4.3981 8.1554 118.9126 57.4886 41.1775 178.4044 35 L 3.9540 8.0523 119.1870 57.6962 41.4429 179.3727 36 A 4.0362 8.3544 121.2827 54.9870 18.2132 179.8833 37 G 3.9224 8.6922 105.6680 47.3513 0.0000 175.7368 38 A 2.9532 7.6263 122.6614 54.6363 18.1336 179.6409 39 I 3.5256 7.2297 116.5331 64.4916 37.1239 178.2589 40 A 4.0508 7.6262 121.2157 55.0942 18.2432 179.6052 41 A 3.8341 7.9843 119.6552 55.2176 18.3974 179.9956 42 R 4.2523 8.1416 117.8920 58.2854 29.8224 178.7822 43 E 4.0063 7.6387 117.6966 58.4883 29.4767 177.5650 44 L 4.5262 7.4917 116.3308 54.8813 42.9683 177.4373 45 S 4.6846 7.8116 112.5600 56.3858 64.0630 172.3760 46 P 4.3104 0.0000 0.0000 65.4069 31.8095 178.0485 47 E 4.0728 8.2193 115.8122 58.6099 29.9259 176.8835 48 R 4.6022 7.2889 116.0483 55.4686 33.3526 173.3852 49 V 4.9770 8.3849 117.4388 59.6696 35.6393 175.1213 50 V 4.5698 8.3342 116.2161 59.7570 34.7100 175.2182 51 T 4.3206 8.6795 121.8649 63.6402 68.2429 174.2063 52 I 4.3685 8.4522 120.9638 62.0052 39.7014 175.6434 53 S 4.6129 7.3383 114.9132 57.6323 66.3212 173.4602 54 M 5.1828 8.3092 119.1209 53.9539 35.4332 174.4037 55 D 4.8641 9.3026 122.4612 51.7990 45.8925 175.3060 56 K 3.8784 8.4778 115.9867 57.2684 29.8064 175.8942 57 V 4.5114 7.4967 116.0190 60.3671 32.9516 175.3682 58 V 4.1279 7.7321 122.6698 61.2204 34.5277 174.4032 59 F 4.6480 8.7787 127.5928 56.4083 37.1758 175.4672 60 K 4.2463 8.4317 122.7510 58.9635 32.7607 176.6848 61 E 4.7633 8.1461 118.2783 53.8584 32.8702 173.5455 62 P 4.4135 0.0000 0.0000 62.7942 32.5042 175.6259 63 V 4.2205 8.2061 121.9167 61.1828 34.2263 174.7291 64 F 5.4551 9.2607 125.6232 55.1568 41.6450 175.1648 65 I 3.7665 8.3140 122.9906 63.5525 37.2129 176.0491 66 G 4.0795 9.1157 113.5859 45.2753 0.0000 173.7882 67 D 4.6705 7.7757 119.0019 55.2031 42.2137 176.1684 68 I 4.6725 8.5602 123.9044 60.5237 38.5695 174.7716 69 I 4.8339 9.1511 129.5713 60.1354 38.9363 175.0888 70 S 5.0191 9.0419 123.3489 56.8154 65.8732 172.8386 71 C 5.0631 8.8255 122.6388 58.3881 30.1722 172.6607 72 Y 4.9225 9.1801 122.4229 56.6344 40.1784 175.1986 73 S 5.2460 8.5993 116.8168 56.7846 67.2813 173.4242 74 K 4.5421 9.1333 124.6002 54.2959 35.1215 175.3249 75 V 4.0759 8.7165 128.1772 63.6450 31.2958 175.3127 76 V 4.3033 8.9693 128.7488 64.4217 32.9822 175.5191 77 N 5.0589 7.7796 116.9877 52.1547 42.5644 173.6124 78 V 4.5700 7.8869 123.7370 60.9731 34.9613 175.2109 79 G 4.1717 8.3958 118.3883 45.3022 0.0000 173.8800 80 N 4.4788 8.8429 117.5875 56.1783 39.4960 176.8551 81 T 4.6643 7.7505 105.2611 60.8485 71.1979 173.7691 82 S 5.2174 7.9680 117.1554 57.2492 65.9911 173.3193 83 I 4.8590 8.8850 121.8425 60.0569 41.0665 174.3017 84 S 5.1722 9.1813 124.2520 57.1215 65.1276 173.6308 85 V 4.8486 8.8461 123.7650 61.1353 34.8301 173.6518 86 E 4.7682 9.3620 129.9370 55.5350 31.1039 174.8859 87 V 4.9294 9.2007 127.2884 61.1427 34.4123 173.8426 88 E 5.1168 9.3356 127.3457 54.5336 32.7436 174.8899 89 V 5.0494 8.9798 124.9370 61.2878 34.1158 174.3015 90 T 5.2018 9.1107 117.6685 59.8692 71.8864 172.5360 91 A 5.1113 9.2402 126.4735 50.4052 21.6340 175.1182 92 Q 4.9907 9.0392 124.7473 54.6296 31.1432 174.4341 93 R 4.9990 9.0455 125.8725 54.7291 34.2548 173.4452 94 V 4.9571 8.3974 124.8874 61.2473 33.8605 175.3294 95 D 4.7939 8.7627 128.2274 52.2870 41.5608 176.8855 96 S 4.1256 8.6864 112.8335 62.0171 62.8856 175.7780 97 Q 3.9973 7.9901 118.2976 56.7956 28.5510 177.1054 98 G 4.1128 7.9947 106.3523 45.1213 0.0000 172.8763 99 C 4.5200 8.9193 118.7879 58.9895 29.6400 172.9454 100 T 4.8495 8.5088 120.7336 63.0981 69.2108 174.3204 101 S 4.8430 9.4789 122.4205 56.7063 66.7419 172.6415 102 C 5.2318 8.7498 123.3375 57.8315 33.6023 172.7927 103 I 4.4851 8.6940 128.0350 59.1298 39.5600 174.5443 104 N 4.8650 8.9711 126.6414 54.0930 38.8355 174.1711 105 V 4.3355 9.2476 126.9753 63.1067 34.3411 175.4431 106 T 5.0075 7.5435 113.1506 61.0641 71.0960 172.1838 107 S 5.1349 8.4903 118.0906 57.0776 66.3863 172.4303 108 A 4.8425 8.7737 125.1903 50.9201 23.2850 175.0911 109 L 4.9471 8.7580 122.5750 53.5115 44.2614 175.3125 110 V 4.6871 8.8650 127.2094 61.3001 34.4595 174.3344 111 T 5.0661 8.5796 123.2699 61.9533 71.6079 172.7529 112 Y 5.2681 9.0214 122.8766 56.0766 42.3311 174.6881 113 V 4.8466 8.6990 121.6744 59.9078 34.4784 174.8919 114 S 4.7305 9.3105 119.6752 58.1691 64.0903 173.5929 115 V 5.1434 8.2041 116.9421 59.1367 35.6919 175.7790 116 T 4.0909 8.7992 113.0614 61.2469 69.1686 175.8249 117 R 3.7538 8.5902 119.6620 58.5755 29.2418 176.7808 118 D 4.6645 8.2263 116.3801 53.0273 39.7793 176.7327 119 G 3.9066 8.9913 108.1803 45.6116 0.0000 173.4148 120 K 4.5689 7.8812 118.7593 54.1311 34.3264 176.3671 121 K 4.0880 8.6910 122.6526 57.3171 32.6608 175.6220 122 N 4.8822 9.0134 124.1608 50.9348 40.5457 172.3946 123 P 4.5653 0.0000 0.0000 62.6293 32.1003 176.5812 124 I 4.0319 8.4145 126.3390 60.8615 37.8606 176.4109 125 S 4.2689 8.7075 121.9452 57.8777 63.7070 175.1565 126 E 4.0360 8.8633 122.6320 59.2870 29.1718 179.0869 127 E 3.9068 8.1092 120.0886 59.3523 30.0099 178.6386 128 L 4.1204 7.7657 119.1323 57.5419 41.6047 179.6335 129 K 4.2342 7.9936 118.3075 59.5611 31.8783 179.5319 130 R 3.9803 8.2324 118.7212 59.1565 29.8814 178.6010 131 I 4.1019 7.7506 109.5947 62.2922 37.8460 175.9524 132 H 4.7593 7.6528 115.8552 55.6488 29.2159 174.6026 133 G 3.6757 8.2473 107.1894 45.6632 0.0000 174.1506 134 F 4.4466 8.7063 124.0472 57.3149 39.5428 175.0643 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 2 R 8.24 4.15 0.00 1.59 1.74 0.00 2.97 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.17 0.00 3 D 7.91 5.61 0.00 2.97 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 4 M 7.96 4.38 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.40 0.00 5 G 8.04 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 0.00 0.00 0.00 6 E 8.38 4.53 0.00 2.11 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 2.27 2.32 0.00 7 P 0.00 3.89 0.00 1.80 1.47 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.41 0.00 8 K 8.65 4.23 0.00 1.51 1.79 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.53 7.81 9 L 7.53 4.81 0.00 1.46 1.37 0.85 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.40 4.90 0.00 1.63 1.62 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.45 7.81 11 I 8.91 4.85 2.19 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.41 1.07 0.00 0.00 12 V 8.46 4.58 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.98 0.00 0.00 13 A 9.16 3.74 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.58 4.61 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.81 0.00 15 P 0.00 4.17 0.00 1.99 2.09 0.00 3.63 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 16 S 7.90 4.29 0.00 3.96 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 17 D 8.09 4.72 0.00 2.07 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 0.00 0.00 0.00 0.00 18 T 7.55 4.75 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 1.27 0.00 0.00 19 N 8.86 4.69 0.00 2.94 3.17 0.00 0.00 7.33 7.73 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 20 P 0.00 4.13 0.00 2.03 2.14 0.00 3.62 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 21 A 7.99 4.07 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.21 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 0.00 0.00 0.00 23 N 8.17 4.96 0.00 2.70 2.97 0.00 0.00 6.90 8.87 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 24 I 8.67 4.17 1.95 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.59 0.77 0.00 0.00 25 F 9.51 4.37 0.00 3.02 3.15 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 26 G 8.95 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 5.56 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 0.00 0.00 0.00 28 W 7.69 4.16 0.00 3.56 3.47 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 0.00 29 I 7.69 3.55 2.19 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.93 0.98 0.00 0.00 30 L 8.23 3.93 0.00 1.82 1.70 0.92 1.17 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 31 S 7.71 4.01 0.00 3.79 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 7.37 3.74 0.00 1.90 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 1.44 1.46 0.00 33 I 7.77 3.62 1.95 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 1.35 0.71 0.87 0.00 0.00 34 D 8.16 4.40 0.00 2.89 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 35 L 8.05 3.95 0.00 1.64 1.62 0.84 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.35 4.04 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 37 G 8.69 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 38 A 7.63 2.95 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 39 I 7.23 3.53 1.93 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.60 0.85 0.00 0.00 40 A 7.63 4.05 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 41 A 7.98 3.83 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 42 R 8.14 4.25 0.00 1.81 1.92 0.00 3.33 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.50 0.00 43 E 7.64 4.01 0.00 2.05 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 2.37 2.34 0.00 44 L 7.49 4.53 0.00 1.67 1.62 0.75 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.81 4.68 0.00 3.78 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 46 P 0.00 4.31 0.00 2.06 2.10 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 47 E 8.22 4.07 0.00 1.92 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 2.31 2.35 0.00 48 R 7.29 4.60 0.00 1.83 1.85 0.00 3.11 0.00 0.00 3.49 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 49 V 8.38 4.98 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.72 0.00 0.00 50 V 8.33 4.57 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.94 0.00 0.00 51 T 8.68 4.32 4.19 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 0.94 0.00 0.00 52 I 8.45 4.37 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.62 0.89 0.00 0.00 53 S 7.34 4.61 0.00 3.81 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 54 M 8.31 5.18 0.00 1.78 1.88 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 55 D 9.30 4.86 0.00 2.53 2.47 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 0.00 56 K 8.48 3.88 0.00 1.80 1.81 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.32 7.81 57 V 7.50 4.51 1.75 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 0.78 0.00 0.00 0.43 0.00 0.00 58 V 7.73 4.13 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 0.99 0.00 0.00 0.87 0.00 0.00 59 F 8.78 4.65 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.43 4.25 0.00 1.75 1.88 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.58 7.81 61 E 8.15 4.76 0.00 1.93 1.72 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 2.19 2.28 0.00 62 P 0.00 4.41 0.00 1.64 2.00 0.00 3.63 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 63 V 8.21 4.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.99 0.00 0.00 64 F 9.26 5.46 0.00 3.09 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 65 I 8.31 3.77 1.87 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 1.29 0.45 0.88 0.00 0.00 66 G 9.12 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 0.00 0.00 0.00 67 D 7.78 4.67 0.00 2.78 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 68 I 8.56 4.67 1.92 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 1.27 1.06 0.95 0.00 0.00 69 I 9.15 4.83 2.14 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.66 0.95 0.00 0.00 70 S 9.04 5.02 0.00 3.81 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 C 8.83 5.06 0.00 2.70 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 72 Y 9.18 4.92 0.00 2.92 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 73 S 8.60 5.25 0.00 3.70 3.72 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 74 K 9.13 4.54 0.00 1.80 1.65 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.40 7.81 75 V 8.72 4.08 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.92 0.00 0.00 76 V 8.97 4.30 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 0.82 0.00 0.00 1.03 0.00 0.00 77 N 7.78 5.06 0.00 2.85 2.53 0.00 0.00 6.60 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 78 V 7.89 4.57 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 0.68 0.00 0.00 -0.08 0.00 0.00 79 G 8.40 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 0.00 0.00 0.00 80 N 8.84 4.48 0.00 2.80 2.80 0.00 0.00 6.44 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 81 T 7.75 4.66 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 1.22 0.00 0.00 82 S 7.97 5.22 0.00 3.89 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 83 I 8.88 4.86 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.78 0.85 0.00 0.00 84 S 9.18 5.17 0.00 3.79 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 85 V 8.85 4.85 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 1.09 0.00 0.00 1.03 0.00 0.00 86 E 9.36 4.77 0.00 2.12 1.82 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 2.28 2.30 0.00 87 V 9.20 4.93 2.07 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 0.95 0.00 0.00 1.02 0.00 0.00 88 E 9.34 5.12 0.00 1.95 1.82 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 2.22 2.34 0.00 89 V 8.98 5.05 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 1.03 0.00 0.00 0.91 0.00 0.00 90 T 9.11 5.20 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 91 A 9.24 5.11 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Q 9.04 4.99 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.69 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 93 R 9.05 5.00 0.00 1.93 1.73 0.00 3.38 0.00 0.00 3.54 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 94 V 8.40 4.96 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.96 0.00 0.00 95 D 8.76 4.79 0.00 2.93 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 96 S 8.69 4.13 0.00 4.00 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 97 Q 7.99 4.00 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.12 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 98 G 7.99 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 99 C 8.92 4.52 0.00 3.26 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 0.00 100 T 8.51 4.85 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 1.24 0.00 0.00 101 S 9.48 4.84 0.00 3.71 3.73 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 0.00 102 C 8.75 5.23 0.00 2.97 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 0.00 103 I 8.69 4.49 1.86 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 1.12 0.61 0.90 0.00 0.00 104 N 8.97 4.86 0.00 2.70 2.74 0.00 0.00 7.05 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 0.00 105 V 9.25 4.34 2.25 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 0.68 0.00 0.00 0.94 0.00 0.00 106 T 7.54 5.01 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 1.29 0.00 0.00 107 S 8.49 5.13 0.00 3.86 3.52 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 0.00 108 A 8.77 4.84 1.10 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 0.00 0.00 109 L 8.76 4.95 0.00 1.75 1.55 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 110 V 8.86 4.69 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 0.54 0.00 0.00 0.91 0.00 0.00 111 T 8.58 5.07 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 1.19 0.00 0.00 112 Y 9.02 5.27 0.00 2.89 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 0.00 113 V 8.70 4.85 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 0.82 0.00 0.00 0.99 0.00 0.00 114 S 9.31 4.73 0.00 3.86 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 0.00 115 V 8.20 5.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.99 0.00 0.00 116 T 8.80 4.09 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 117 R 8.59 3.75 0.00 1.93 2.12 0.00 3.16 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 118 D 8.23 4.66 0.00 2.79 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 0.00 119 G 8.99 3.91 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 0.00 0.00 0.00 120 K 7.88 4.57 0.00 1.74 1.72 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.61 7.81 121 K 8.69 4.09 0.00 1.63 1.77 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.46 7.81 122 N 9.01 4.88 0.00 2.64 2.71 0.00 0.00 7.27 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 0.00 123 P 0.00 4.57 0.00 1.97 2.11 0.00 3.73 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 2.02 2.11 0.00 124 I 8.41 4.03 1.84 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.44 0.95 0.00 0.00 125 S 8.71 4.27 0.00 4.00 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 0.00 126 E 8.86 4.04 0.00 2.23 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 2.37 2.38 0.00 127 E 8.11 3.91 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 128 L 7.77 4.12 0.00 1.71 1.77 0.98 0.97 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 0.00 129 K 7.99 4.23 0.00 2.04 1.99 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.66 7.81 130 R 8.23 3.98 0.00 2.10 1.99 0.00 3.13 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 1.68 1.84 0.00 131 I 7.75 4.10 1.80 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 1.76 0.49 0.90 0.00 0.00 132 H 7.65 4.76 0.00 3.56 3.61 0.00 5.88 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 0.00 133 G 8.25 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 0.00 0.00 0.00 134 F 8.71 4.45 0.00 3.04 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