NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1714 8.1727 122.0536 56.3162 34.1159 174.0983 2 V 4.5298 8.1955 127.2646 60.7357 32.0826 174.5333 3 F 4.2122 9.9552 128.7063 57.5675 40.2304 174.7732 4 E 4.2723 8.8121 120.4407 55.3581 31.1646 176.6526 5 R 3.2226 8.9129 120.6395 60.9038 29.8907 179.3614 6 C 4.3135 7.9965 115.1913 59.7938 36.9144 175.6736 7 E 3.8807 8.1367 120.6212 59.2678 29.2388 178.5691 8 L 3.6692 8.0818 120.0795 57.8225 42.0894 178.5815 9 A 3.9505 7.8631 120.7630 55.4358 18.3886 179.8975 10 R 3.8868 8.1584 116.4974 59.5761 30.2059 179.4667 11 T 3.8515 7.8682 115.5342 66.6704 68.4926 176.6864 12 L 3.8708 8.2150 121.2774 57.5707 41.6175 179.5014 13 K 3.9065 7.9963 119.5878 59.5692 31.9309 178.8966 14 R 3.9564 7.7382 117.7243 58.9417 30.0467 177.4997 15 L 4.3557 7.4835 116.1591 54.0257 41.8727 176.6792 16 G 3.8284 7.9005 106.8649 47.0987 0.0000 175.0977 17 M 3.9079 7.7844 120.8517 56.1990 32.5621 175.9169 18 D 4.4061 8.0216 118.0198 55.7309 41.2675 175.7516 19 G 3.9319 9.3388 115.3926 45.6038 0.0000 171.4660 20 Y 4.2466 8.2656 122.0144 58.6418 38.8560 176.3583 21 R 3.6131 9.0538 126.6711 57.2198 27.7933 177.3195 22 G 3.8150 8.2566 104.0227 45.5015 0.0000 174.1593 23 I 4.0547 7.7169 122.2740 59.1934 37.8127 175.8792 24 S 4.6590 8.3203 120.4226 57.7138 63.9876 174.9385 25 L 4.2034 9.0545 123.3641 58.6867 41.7430 179.4060 26 A 4.1851 8.1797 119.8804 55.1599 18.1834 179.2622 27 N 4.4364 8.1476 114.8962 56.3018 38.5538 177.6719 28 W 4.1215 7.9805 119.9121 59.9412 29.1094 178.3710 29 M 4.1789 8.4323 118.8108 58.4834 31.4150 177.9246 30 C 3.0668 8.1025 118.6567 59.0805 44.8389 175.3205 31 L 3.9478 8.2087 121.8244 58.2806 41.7400 178.7751 32 A 4.1310 8.4536 121.0085 54.9454 18.3895 179.4225 33 K 2.7747 8.1706 118.1948 59.3559 32.0523 179.1155 34 W 4.2711 7.6740 117.2112 59.1035 29.0789 178.3647 35 E 4.3309 8.3026 118.6782 58.6268 29.4582 177.7259 36 S 4.5151 7.8574 109.7185 56.5145 64.5826 174.5490 37 G 3.5588 7.8936 108.7132 46.8585 0.0000 173.2284 38 Y 3.6553 7.6407 113.4273 58.6257 35.5548 168.5365 39 N 5.4002 7.5481 118.6244 51.9470 40.1285 175.6677 40 T 4.1129 8.9828 117.2181 63.7726 69.2029 175.9052 41 R 4.4832 8.1474 116.8061 55.6172 30.2183 176.2602 42 A 4.3035 7.6000 121.4811 52.8193 19.2490 176.9476 43 T 5.0111 8.4002 111.2749 59.9926 72.5922 173.1412 44 N 4.8602 8.7382 121.6203 52.4176 42.3042 172.4044 45 Y 4.7208 8.7550 128.0900 57.2429 40.7804 173.8726 46 N 4.7208 8.4639 124.7875 51.1175 38.6751 175.0986 47 A 3.5581 8.3416 127.3713 54.9196 18.8009 179.1840 48 G 3.7746 8.0722 103.7388 48.1232 0.0000 173.7505 49 D 4.7302 7.4524 114.8686 51.9762 40.2023 175.6303 50 R 3.9617 8.1182 116.3426 57.0362 28.0990 175.8686 51 S 4.9757 7.5680 112.2400 57.1108 66.3837 172.7452 52 T 5.0909 8.8507 116.0076 61.9403 72.7206 172.8120 53 D 5.3979 9.0277 125.3039 53.2987 43.0548 175.0149 54 Y 4.9354 9.0812 121.3414 57.3968 41.2431 177.4363 55 G 4.3333 9.0230 112.7444 45.8895 0.0000 173.2718 56 I 3.7511 8.2641 116.8531 62.8980 37.7928 177.3472 57 F 4.7277 7.9430 115.3011 56.3863 39.8366 175.3302 58 Q 3.5771 8.0581 119.2960 57.1123 26.5801 174.1747 59 I 4.3674 8.1352 118.9937 61.1298 39.3296 176.8707 60 N 5.3559 9.2257 125.9471 53.3782 39.7601 175.6950 61 S 4.6735 9.1289 120.6981 60.1569 63.2404 175.4386 62 R 3.7399 8.6694 122.3086 58.6714 30.3552 177.6711 63 Y 4.2578 7.5951 114.2196 57.4488 40.7017 177.1732 64 W 4.7206 8.0455 119.1174 57.7110 30.5252 173.6167 65 C 5.6092 7.9040 110.5420 53.4772 45.2817 171.7758 66 N 4.7980 8.9653 119.5783 52.0852 39.5682 174.7343 67 D 4.8106 8.5533 123.1970 52.2385 40.6033 178.0342 68 G 4.0657 8.3938 108.7823 45.8589 0.0000 174.6536 69 K 4.3974 7.7974 116.0584 56.7227 33.2945 176.1268 70 T 4.5065 7.4816 116.4948 61.8541 69.1547 173.0736 71 P 4.2807 0.0000 0.0000 63.7558 32.0481 176.3010 72 G 3.9158 8.4701 109.3294 46.4992 0.0000 172.6702 73 A 4.6557 7.6944 118.2487 50.3599 21.3743 177.4267 74 V 4.3030 8.4095 112.3965 59.3045 35.5357 176.0809 75 N 4.8926 8.0462 117.7367 51.7401 37.7477 174.2707 76 A 3.9249 9.0116 125.5475 55.0169 19.0646 178.6207 77 C 4.5179 8.6125 110.9260 57.4851 41.1352 173.0790 78 H 4.0746 7.8539 116.5615 56.4959 26.2983 174.0348 79 L 4.8030 8.3150 117.9338 52.9097 46.5627 176.6792 80 S 4.6515 8.3653 115.3668 58.0838 63.3220 176.0200 81 C 4.1756 8.7242 123.9670 59.3986 40.6918 176.3538 82 S 3.9195 7.8251 114.8798 61.2241 61.6835 175.8795 83 A 4.0600 7.7303 122.5082 54.4072 18.0588 177.9462 84 L 4.4323 7.6463 116.1991 55.1344 41.8211 177.6421 85 L 4.9865 7.8604 117.4865 54.5393 42.2696 176.6466 86 Q 4.3837 7.8261 117.9927 55.3759 29.5784 175.8672 87 D 4.4565 8.4899 119.1991 56.9529 41.1946 176.8988 88 N 4.5797 8.0657 118.2347 53.2208 39.2630 174.6327 89 I 4.2425 8.4550 118.8184 60.9882 38.0265 177.0084 90 A 3.9414 8.5739 125.0993 56.0646 18.1973 180.1713 91 D 4.3054 8.0790 116.4337 57.3887 40.9493 178.6833 92 A 4.1130 7.9904 120.9161 55.0909 18.3577 179.7744 93 V 3.3926 8.1703 116.8439 66.0648 31.5035 178.1377 94 A 3.8199 7.9907 120.5450 55.2458 18.1628 178.8473 95 C 4.2328 8.3977 116.8433 59.6669 44.0591 175.5775 96 A 3.9416 8.0918 122.5030 55.0959 17.8055 179.7620 97 K 3.6506 7.9005 117.1344 59.3158 31.7358 179.5773 98 R 3.9372 7.3756 118.2128 59.3463 30.3484 178.3638 99 V 2.6169 7.4691 117.7514 65.6926 31.2444 177.9376 100 A 4.1092 8.1739 120.1554 54.8538 18.0087 179.2049 101 R 4.0720 7.6621 115.6647 57.8117 30.5860 176.4889 102 D 4.7089 7.4522 118.7068 53.3119 41.7124 175.2184 103 P 4.2500 0.0000 0.0000 66.1422 31.7194 178.2929 104 Q 4.0601 8.1270 116.4183 56.6085 30.2665 177.1599 105 G 3.9127 7.7899 106.8772 47.2188 0.0000 176.9310 106 I 3.5915 7.8011 122.4556 63.1925 37.8702 177.6174 107 R 4.2344 7.3762 117.4533 57.9617 29.9981 177.5654 108 A 4.0370 7.6500 120.5927 54.0219 18.6239 177.4062 109 W 4.7075 8.0409 116.9836 55.3165 29.6333 177.3603 110 V 3.7373 8.6913 124.0686 65.9596 30.8500 177.4777 111 A 4.0589 8.3354 120.1925 54.8923 18.0716 179.2187 112 W 3.9455 8.3923 126.8839 60.6932 30.5800 178.4324 113 R 3.6683 8.1561 116.3961 59.1856 29.6245 178.4527 114 N 4.3237 7.9286 115.1765 55.9760 38.7579 177.0014 115 R 3.9954 7.6663 116.1791 56.1282 31.2715 176.3627 116 C 4.5706 7.6094 115.5269 57.5530 42.6580 174.4015 117 Q 3.2721 6.5991 119.3680 57.2135 28.7552 175.2383 118 N 4.1794 8.6538 120.0771 54.1454 36.2865 173.8373 119 R 4.4804 7.3155 115.6297 54.1898 32.7022 176.0451 120 D 4.5751 8.3451 119.1031 53.9095 40.1282 175.8774 121 V 4.4791 8.1522 118.2305 61.3720 32.4101 178.4639 122 R 4.0371 8.0895 121.8698 59.4494 29.5913 178.5320 123 Q 3.9736 8.1277 115.9473 59.8109 28.1834 178.4180 124 Y 4.3473 7.7155 117.0768 59.9293 38.2824 176.8705 125 V 4.3797 7.8281 110.9228 60.8171 33.2055 175.6209 126 Q 4.1911 7.9423 120.1025 57.1872 28.8853 176.7816 127 G 3.9637 8.9602 110.5007 45.8578 0.0000 174.4418 128 C 4.4512 7.9528 115.4723 56.5673 40.6378 174.0065 129 G 3.8772 8.1385 107.2541 46.7029 0.0000 174.2028 130 V 4.0078 7.8831 118.0964 61.0831 32.0710 175.8184 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 K 8.17 4.17 0.00 1.98 1.73 0.00 1.31 0.00 0.00 1.23 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.98 1.14 7.81 2 V 8.20 4.53 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 0.91 0.00 0.00 0.95 0.00 0.00 3 F 9.96 4.21 0.00 2.91 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 4 E 8.81 4.27 0.00 1.91 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.22 0.00 5 R 8.91 3.22 0.00 1.89 1.88 0.00 3.43 0.00 0.00 3.46 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 6 C 8.00 4.31 0.00 3.00 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 7 E 8.14 3.88 0.00 2.05 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 0.00 2.53 2.40 0.00 8 L 8.08 3.67 0.00 1.48 1.45 -0.06 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.86 3.95 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 10 R 8.16 3.89 0.00 1.87 1.99 0.00 3.14 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 11 T 7.87 3.85 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 1.20 0.00 0.00 12 L 8.22 3.87 0.00 1.72 1.61 0.96 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.00 3.91 0.00 1.95 1.93 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.46 7.81 14 R 7.74 3.96 0.00 2.02 2.03 0.00 3.30 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 15 L 7.48 4.36 0.00 1.70 1.56 0.84 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.90 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 17 M 7.78 3.91 0.00 1.37 1.97 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.22 0.00 18 D 8.02 4.41 0.00 2.67 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 19 G 9.34 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 20 Y 8.27 4.25 0.00 3.30 3.16 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 21 R 9.05 3.61 0.00 1.92 1.86 0.00 3.18 0.00 0.00 2.95 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.41 0.00 22 G 8.26 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 0.00 0.00 0.00 23 I 7.72 4.05 1.91 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.92 -0.20 0.00 0.00 24 S 8.32 4.66 0.00 4.06 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 25 L 9.05 4.20 0.00 2.07 1.82 0.99 1.04 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 26 A 8.18 4.19 1.52 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 0.00 0.00 27 N 8.15 4.44 0.00 2.81 2.69 0.00 0.00 6.89 7.57 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 28 W 7.98 4.12 0.00 3.57 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 29 M 8.43 4.18 0.00 2.18 2.37 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.92 0.00 30 C 8.10 3.07 0.00 2.64 3.17 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 31 L 8.21 3.95 0.00 1.80 1.83 0.66 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.45 4.13 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 33 K 8.17 2.77 0.00 1.55 1.72 0.00 0.68 0.00 0.00 1.06 0.00 0.00 2.57 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.15 0.21 7.81 34 W 7.67 4.27 0.00 3.35 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 35 E 8.30 4.33 0.00 2.02 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 2.57 2.45 0.00 36 S 7.86 4.52 0.00 4.06 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 37 G 7.89 3.56 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 0.00 0.00 0.00 38 Y 7.64 3.66 0.00 3.26 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 39 N 7.55 5.40 0.00 2.94 2.80 0.00 0.00 7.01 7.10 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 40 T 8.98 4.11 4.45 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 1.46 0.00 0.00 41 R 8.15 4.48 0.00 1.97 2.10 0.00 3.14 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 42 A 7.60 4.30 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 43 T 8.40 5.01 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 1.30 0.00 0.00 44 N 8.74 4.86 0.00 3.03 2.67 0.00 0.00 6.91 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.75 4.72 0.00 2.99 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 46 N 8.46 4.72 0.00 2.67 2.61 0.00 0.00 6.55 8.34 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 47 A 8.34 3.56 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 48 G 8.07 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 0.00 0.00 0.00 49 D 7.45 4.73 0.00 2.71 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 50 R 8.12 3.96 0.00 2.04 2.20 0.00 3.13 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.53 0.00 51 S 7.57 4.98 0.00 3.86 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 52 T 8.85 5.09 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 0.66 0.00 0.00 53 D 9.03 5.40 0.00 2.68 2.71 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 0.00 0.00 0.00 0.00 54 Y 9.08 4.94 0.00 2.96 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 55 G 9.02 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 0.00 0.00 0.00 0.00 56 I 8.26 3.75 1.65 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.71 0.05 0.00 0.00 57 F 7.94 4.73 0.00 3.24 3.01 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 58 Q 8.06 3.58 0.00 2.49 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.84 0.00 0.00 0.00 0.00 0.00 2.52 2.69 0.00 59 I 8.14 4.37 2.14 0.00 0.00 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 1.37 1.18 1.14 0.00 0.00 60 N 9.23 5.36 0.00 3.04 3.11 0.00 0.00 6.97 7.35 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 61 S 9.13 4.67 0.00 4.07 4.42 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 62 R 8.67 3.74 0.00 1.56 1.22 0.00 2.72 0.00 0.00 2.91 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.02 0.00 63 Y 7.60 4.26 0.00 1.45 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 0.00 0.00 0.00 64 W 8.05 4.72 0.00 3.68 3.31 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 65 C 7.90 5.61 0.00 3.17 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 66 N 8.97 4.80 0.00 2.77 2.70 0.00 0.00 7.11 8.33 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 67 D 8.55 4.81 0.00 2.89 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 68 G 8.39 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 69 K 7.80 4.40 0.00 1.86 1.93 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.46 7.81 70 T 7.48 4.51 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 1.17 0.00 0.00 71 P 0.00 4.28 0.00 2.02 1.97 0.00 3.82 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 72 G 8.47 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 73 A 7.69 4.66 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 74 V 8.41 4.30 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 0.62 0.00 0.00 0.82 0.00 0.00 75 N 8.05 4.89 0.00 2.75 2.59 0.00 0.00 6.76 7.95 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 76 A 9.01 3.92 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 77 C 8.61 4.52 0.00 3.24 3.24 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 0.00 78 H 7.85 4.07 0.00 3.30 3.35 0.00 5.81 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.31 4.80 0.00 1.68 1.50 0.97 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.37 4.65 0.00 3.83 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 81 C 8.72 4.18 0.00 2.21 1.23 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 0.00 82 S 7.83 3.92 0.00 3.88 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 83 A 7.73 4.06 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 84 L 7.65 4.43 0.00 1.97 1.82 1.07 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.86 4.99 0.00 1.78 1.72 1.11 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.83 4.38 0.00 2.24 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.57 7.11 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 87 D 8.49 4.46 0.00 2.64 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 88 N 8.07 4.58 0.00 2.70 2.75 0.00 0.00 6.95 7.94 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 89 I 8.45 4.24 1.77 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.54 0.95 0.00 0.00 90 A 8.57 3.94 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 91 D 8.08 4.31 0.00 2.75 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 92 A 7.99 4.11 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 93 V 8.17 3.39 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 0.78 0.00 0.00 0.93 0.00 0.00 94 A 7.99 3.82 1.34 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 0.00 0.00 95 C 8.40 4.23 0.00 3.16 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 96 A 8.09 3.94 0.75 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 97 K 7.90 3.65 0.00 1.66 1.37 0.00 1.26 0.00 0.00 0.92 0.00 0.00 2.25 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.30 0.83 7.81 98 R 7.38 3.94 0.00 1.78 2.20 0.00 3.46 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.00 0.00 99 V 7.47 2.62 1.74 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 -0.47 0.00 0.00 -0.69 0.00 0.00 100 A 8.17 4.11 1.73 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 0.00 0.00 101 R 7.66 4.07 0.00 2.21 2.11 0.00 3.36 0.00 0.00 3.30 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 102 D 7.45 4.71 0.00 3.14 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 0.00 103 P 0.00 4.25 0.00 2.02 2.13 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 104 Q 8.13 4.06 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.78 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 105 G 7.79 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 0.00 106 I 7.80 3.59 1.01 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.53 0.00 0.00 107 R 7.38 4.23 0.00 2.11 2.03 0.00 3.23 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.54 0.00 108 A 7.65 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.04 4.71 0.00 3.46 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 0.00 110 V 8.69 3.74 2.17 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 1.09 0.00 0.00 0.99 0.00 0.00 111 A 8.34 4.06 1.52 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 0.00 0.00 112 W 8.39 3.95 0.00 3.46 3.49 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 0.00 113 R 8.16 3.67 0.00 2.06 1.98 0.00 3.59 0.00 0.00 3.63 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.08 0.00 114 N 7.93 4.32 0.00 2.68 2.70 0.00 0.00 6.98 7.80 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 0.00 115 R 7.67 4.00 0.00 0.97 0.66 0.00 2.81 0.00 0.00 2.84 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.95 0.00 116 C 7.61 4.57 0.00 1.67 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 0.00 117 Q 6.60 3.27 0.00 0.93 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.80 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 118 N 8.65 4.18 0.00 2.80 2.82 0.00 0.00 6.90 7.66 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 0.00 119 R 7.32 4.48 0.00 1.82 1.81 0.00 3.16 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.40 0.00 120 D 8.35 4.58 0.00 2.64 2.62 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 0.00 121 V 8.15 4.48 2.40 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 0.96 0.00 0.00 1.06 0.00 0.00 122 R 8.09 4.04 0.00 1.93 2.02 0.00 3.27 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 123 Q 8.13 3.97 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.11 0.00 0.00 0.00 0.00 0.00 2.00 1.50 0.00 124 Y 7.72 4.35 0.00 3.22 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 0.00 125 V 7.83 4.38 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 0.96 0.00 0.00 1.06 0.00 0.00 126 Q 7.94 4.19 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.71 0.00 0.00 0.00 0.00 0.00 2.50 2.31 0.00 127 G 8.96 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 0.00 0.00 0.00 128 C 7.95 4.45 0.00 3.07 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 0.00 129 G 8.14 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 0.00 130 V 7.88 4.01 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 0.81 0.00 0.00 0.96 0.00 0.00