NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.3410 8.3344 116.7649 58.0556 64.2829 172.8972 5 V 3.5794 8.1490 123.1615 61.7928 32.0428 170.2313 6 V 4.2650 8.9939 127.7970 61.2941 34.0054 174.4152 7 K 4.6767 8.2965 124.9827 54.3889 34.5609 177.5583 8 S 4.4321 8.7987 119.3857 61.5659 62.8453 175.2592 9 E 4.2632 8.1214 117.9787 57.6799 29.8322 176.9255 10 D 4.6987 8.4521 120.2129 54.4276 40.7056 178.0103 11 Y 4.2135 7.4726 119.9770 59.4278 37.8488 176.8127 12 A 4.6406 7.4662 120.9419 51.7578 19.5559 176.1842 13 L 4.7187 7.4312 116.5704 52.1573 43.7227 174.9173 14 P 4.3355 0.0000 0.0000 63.1000 31.7245 175.7451 15 S 4.8850 8.3998 115.3532 56.6657 66.1110 171.9838 16 Y 4.7734 8.2844 120.4866 56.0346 40.4197 175.0824 17 V 4.1168 6.7433 123.1542 60.6225 34.0748 172.9296 18 D 4.4933 8.2958 124.2635 53.1256 41.2564 176.5687 19 R 4.1547 8.4601 118.4447 56.6545 31.2574 176.9438 20 R 3.4983 7.7029 123.4616 58.6616 30.5208 176.7371 21 D 4.8623 7.9070 114.8699 53.2174 39.6141 176.8792 22 Y 4.9532 8.4822 120.1200 56.2816 39.7258 173.3834 23 P 4.4597 0.0000 0.0000 65.0672 31.9037 177.0738 24 L 4.6055 6.6497 116.2256 51.3921 41.0631 174.1602 25 P 4.4567 0.0000 0.0000 62.6494 31.7719 176.7256 26 D 4.6787 8.6229 116.6873 55.1256 41.1380 176.7336 27 V 4.4964 7.3394 117.3806 60.8294 34.8131 174.1472 28 A 4.2006 8.3140 127.2913 51.7290 19.1170 177.5884 29 H 3.7108 8.2698 121.1667 57.9311 30.0637 175.9070 30 V 4.1754 7.2783 118.1962 60.8573 33.4130 174.9255 31 K 4.0620 8.6441 127.2957 58.6358 32.4860 177.1794 32 N 4.6140 7.8950 116.7478 52.1963 38.6881 174.4619 33 L 4.7263 8.2160 123.7810 53.4150 43.6106 177.3222 34 S 4.5579 8.4231 117.0102 56.8798 65.8646 175.1945 35 A 3.9580 8.5145 123.8200 55.7328 17.9029 180.0464 36 S 4.0898 8.0326 111.7165 61.7327 62.9803 176.5358 37 Q 3.9582 7.9463 121.4125 58.5841 28.4694 178.5682 38 K 3.8125 8.6217 119.6210 59.6107 32.1154 179.1720 39 A 3.9742 7.9718 120.7688 54.9889 18.4541 179.3893 40 L 3.9140 8.2824 119.2892 58.3885 41.9693 179.3427 41 K 4.0021 8.5369 117.5023 59.4683 32.2063 178.9121 42 E 4.1402 8.1338 119.0040 59.3542 29.3436 179.2893 43 K 3.9670 8.1031 118.5448 59.5954 31.8714 178.7864 44 E 4.2054 8.0008 118.2492 59.3701 29.5361 178.8552 45 K 4.2062 8.0604 117.2935 59.1717 32.3955 176.8863 46 A 4.3906 8.0371 121.8430 50.6120 20.8345 176.1075 47 S 4.0246 8.3520 111.6246 58.0977 62.9747 175.8080 48 W 4.6392 8.3984 127.3692 59.4729 29.1902 178.4541 49 S 4.2338 7.6822 113.2735 61.3426 62.2566 175.2781 50 S 4.5103 7.9807 112.3793 58.4488 63.1870 174.0002 51 L 4.7414 7.6935 121.7663 53.8136 42.8440 176.4360 52 S 4.5853 9.3820 116.8451 57.3521 64.5390 175.2381 53 I 3.6241 8.5354 123.3087 65.2293 36.6535 178.2570 54 D 4.3732 8.0382 118.8906 57.3457 40.6828 178.4397 55 E 3.9817 8.4283 119.4529 59.3255 29.3918 179.5676 56 K 3.9417 7.9668 118.1078 59.2623 32.1493 179.4849 57 V 3.5678 7.8576 118.4958 66.1053 31.3496 177.5104 58 E 3.9977 8.2358 117.9755 59.3246 29.5372 178.2535 59 L 4.0517 8.3008 120.5773 58.3145 42.2960 178.3847 60 Y 4.0605 8.1525 119.4918 60.7616 38.6429 177.6329 61 R 4.4679 8.4589 116.2634 57.4245 30.6052 177.7970 62 L 4.1123 7.6278 121.2511 57.1953 42.2687 178.3825 63 K 3.4793 7.4827 118.9480 57.6366 32.4294 176.1845 64 F 5.2179 6.5830 115.7704 55.3018 41.5390 175.6584 65 K 3.6929 9.5222 127.2694 58.5840 32.2680 176.8655 66 E 5.0526 8.2321 114.9389 53.4845 32.6753 176.0798 67 S 5.0982 9.0208 117.4617 57.6560 65.3780 175.2346 68 F 3.9032 9.3546 121.3183 61.0479 38.3563 177.9571 69 A 4.0852 8.0319 118.9963 55.0229 18.5609 179.1969 70 E 4.0995 7.7840 117.0658 59.8198 29.4840 179.4902 71 M 4.1564 8.3012 115.7995 57.6655 31.1678 177.1875 72 N 4.8132 7.7452 115.7175 51.7776 39.3119 174.8152 73 R 4.0253 7.4660 122.3942 56.1889 30.6447 176.5787 74 S 4.4687 8.5443 120.0830 58.0507 64.1295 173.1858 75 T 4.6559 8.2044 111.5078 60.3382 70.8857 173.1783 76 N 4.8752 8.3751 116.0964 53.4418 39.0443 177.1153 77 E 3.9216 8.1055 122.1245 59.1816 29.5413 178.5188 78 W 4.5269 8.5555 116.2932 59.9499 27.6912 178.2392 79 K 2.9395 6.4767 117.7675 59.2303 31.3204 179.3707 80 T 3.7837 7.6297 115.8722 66.5050 68.2871 176.7637 81 V 3.6077 7.7206 119.5570 66.1066 31.5906 177.8143 82 V 3.7712 8.3476 118.2637 66.0029 31.4652 177.8886 83 G 3.7625 8.2355 104.9848 48.1279 0.0000 175.2019 84 A 4.1550 8.4671 123.9165 54.6632 18.3233 179.6030 85 A 4.1524 8.4299 119.4128 55.7914 18.4304 179.8654 86 M 4.1189 8.5807 117.4926 58.1615 31.8941 178.9146 87 F 4.1062 8.3563 121.1902 61.3763 39.4854 177.3810 88 F 3.9777 8.2466 117.3446 60.3507 38.4185 177.8063 89 I 3.9680 7.9986 119.3115 64.0877 37.0776 178.2780 90 G 3.6476 8.1435 107.0679 47.4848 0.0000 175.4600 91 F 3.9693 8.1000 123.3541 61.5163 39.3543 177.0602 92 T 3.6311 7.7257 115.0696 66.9072 68.2816 176.1788 93 A 4.0047 7.7643 121.9004 54.7680 18.2326 179.7486 94 L 3.9028 7.8384 118.3389 57.6954 41.6836 179.3826 95 L 3.7813 7.2885 118.4126 57.8210 41.7280 179.3561 96 L 4.0263 7.9340 118.7623 57.9547 41.5535 179.7541 97 I 3.7799 7.8865 119.7218 64.0177 36.9389 178.2787 98 W 4.3482 8.5206 129.6541 60.5423 30.5494 177.9184 99 E 4.0071 8.7390 117.6709 59.0507 28.7348 179.1688 100 K 3.9621 7.6920 119.5716 59.8114 32.4620 178.1564 101 H 4.0423 8.0895 116.8558 58.2729 29.7517 175.7326 102 Y 4.0564 7.6643 117.2049 58.1096 39.3520 176.7471 103 V 3.8898 7.0684 117.4648 64.4567 32.6180 175.5866 104 Y 4.6885 8.0080 118.2997 57.3448 38.1917 176.2879 105 G 3.9186 8.4672 114.9301 43.9742 0.0000 170.8988 106 P 4.4008 0.0000 0.0000 62.1939 32.0964 176.0433 107 I 4.0444 7.8359 113.8215 58.8898 38.9336 173.5630 108 P 4.3004 0.0000 0.0000 63.1324 31.3198 176.9193 109 H 4.3080 8.4751 114.3276 58.1263 28.6897 177.0289 110 T 2.5981 6.9478 108.8472 62.5503 68.5054 174.7482 111 F 4.3959 7.4647 120.1465 58.2666 39.9233 176.7346 112 E 4.1664 7.9465 121.5162 56.2901 30.8997 177.4393 113 E 3.9960 8.8998 123.1891 59.7766 29.5911 179.7598 114 E 3.9754 8.2329 118.4055 59.0492 29.9207 178.1158 115 W 3.9975 8.3703 127.9424 60.8926 30.6331 178.2014 116 V 4.0485 8.2560 111.6686 64.1114 30.9155 178.5057 117 A 4.0767 7.7577 121.0126 54.9654 18.2441 179.8645 118 K 3.8274 8.2267 117.3006 59.5320 32.1210 179.4389 119 Q 3.8533 8.4241 120.2542 59.4733 28.9446 178.4743 120 T 4.0464 8.2012 117.2741 66.1383 68.3527 176.8100 121 K 3.6641 7.8164 121.7640 59.3308 32.2294 178.7891 122 R 3.7909 7.9637 119.0033 59.6974 29.9001 178.2436 123 M 3.9621 7.9958 118.2981 58.5835 31.9460 178.8698 124 L 4.0890 7.9043 118.8180 57.6344 41.3736 179.4963 125 D 4.3696 8.0076 118.9744 57.2955 40.8881 177.7270 126 M 4.3195 8.1517 114.6224 54.1547 32.1475 176.1776 127 K 4.2695 7.7347 116.5659 56.1185 30.5542 176.2653 128 V 3.3925 8.2410 118.2210 64.4084 32.6663 174.9122 129 A 3.9424 8.7653 130.1930 52.8639 15.4042 175.4481 130 P 4.5490 0.0000 0.0000 64.3386 32.4784 178.7279 131 I 4.1812 7.7397 118.7252 63.4495 37.7853 175.4389 132 Q 4.7869 7.9870 116.2321 57.2132 36.4063 175.7002 133 G 3.7185 8.0646 105.9280 47.5730 0.0000 173.3575 134 F 4.6374 8.0960 119.2866 58.7466 41.7209 177.4883 135 S 4.3169 9.6113 115.5067 61.4227 62.8268 176.4479 136 A 4.3221 8.2003 121.6863 53.6972 18.3361 177.4329 137 K 4.7298 8.3987 117.6607 55.8941 33.3151 175.8610 138 W 5.1990 8.0026 128.8992 55.8787 34.2030 174.4574 139 D 4.4669 8.1280 127.2803 52.5904 40.3203 176.3386 140 Y 4.5174 8.3677 124.0528 60.5652 37.6997 177.6317 141 D 4.5913 7.2618 120.1150 56.6363 41.3542 177.0476 142 K 3.9842 7.9173 119.6590 56.8349 32.9383 176.9913 143 N 3.8273 7.6165 116.1628 53.0412 36.4394 172.8571 144 E 3.9237 5.9000 114.5833 54.0931 33.7588 176.2558 145 W 4.6902 8.2655 121.1805 56.6832 29.5549 176.0820 146 K 3.8384 8.1691 127.1085 56.9526 32.3085 176.6064 147 K 4.0596 8.3531 126.6002 57.1069 31.9704 174.7718 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 4 S 8.33 4.34 0.00 3.78 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 5 V 8.15 3.58 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 0.72 0.00 0.00 0.92 0.00 0.00 6 V 8.99 4.27 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 0.91 0.00 0.00 1.01 0.00 0.00 7 K 8.30 4.68 0.00 2.21 2.05 0.00 1.72 0.00 0.00 1.91 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.41 7.81 8 S 8.80 4.43 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 9 E 8.12 4.26 0.00 2.02 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 0.00 2.39 2.40 0.00 10 D 8.45 4.70 0.00 2.92 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 11 Y 7.47 4.21 0.00 2.95 3.27 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 12 A 7.47 4.64 1.19 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 0.00 0.00 13 L 7.43 4.72 0.00 1.76 1.58 0.88 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.34 0.00 2.07 2.04 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 15 S 8.40 4.88 0.00 4.00 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 16 Y 8.28 4.77 0.00 2.96 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 17 V 6.74 4.12 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 0.68 0.00 0.00 0.86 0.00 0.00 18 D 8.30 4.49 0.00 2.69 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 19 R 8.46 4.15 0.00 1.87 1.93 0.00 2.92 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 20 R 7.70 3.50 0.00 1.81 2.02 0.00 3.31 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.46 0.00 21 D 7.91 4.86 0.00 2.83 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 22 Y 8.48 4.95 0.00 2.88 2.85 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 0.00 0.00 0.00 23 P 0.00 4.46 0.00 2.26 2.46 0.00 3.77 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.04 0.00 24 L 6.65 4.61 0.00 1.52 1.64 0.93 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.46 0.00 2.11 2.01 0.00 4.05 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.86 0.00 26 D 8.62 4.68 0.00 2.78 2.82 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 27 V 7.34 4.50 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 0.89 0.00 0.00 1.03 0.00 0.00 28 A 8.31 4.20 1.14 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 0.00 0.00 29 H 8.27 3.71 0.00 2.42 3.22 0.00 5.72 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.28 4.18 1.95 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 0.76 0.00 0.00 0.73 0.00 0.00 31 K 8.64 4.06 0.00 1.73 1.80 0.00 1.61 0.00 0.00 1.65 0.00 0.00 3.18 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.41 1.41 7.81 32 N 7.89 4.61 0.00 2.67 2.74 0.00 0.00 6.84 7.85 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 33 L 8.22 4.73 0.00 1.60 1.56 0.89 0.96 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 34 S 8.42 4.56 0.00 4.07 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 35 A 8.51 3.96 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 36 S 8.03 4.09 0.00 4.06 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 37 Q 7.95 3.96 0.00 2.36 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 38 K 8.62 3.81 0.00 1.95 1.87 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.64 7.81 39 A 7.97 3.97 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 40 L 8.28 3.91 0.00 1.84 1.83 0.91 0.41 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 41 K 8.54 4.00 0.00 1.94 1.87 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.66 1.61 7.81 42 E 8.13 4.14 0.00 2.27 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 2.57 2.50 0.00 43 K 8.10 3.97 0.00 2.05 1.93 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.65 7.81 44 E 8.00 4.21 0.00 2.06 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 0.00 2.60 2.38 0.00 45 K 8.06 4.21 0.00 1.89 1.89 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.30 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.64 7.81 46 A 8.04 4.39 1.30 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 0.00 0.00 47 S 8.35 4.02 0.00 3.79 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 48 W 8.40 4.64 0.00 3.46 3.13 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 49 S 7.68 4.23 0.00 3.93 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 50 S 7.98 4.51 0.00 4.04 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 51 L 7.69 4.74 0.00 1.83 1.66 0.96 0.75 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 52 S 9.38 4.59 0.00 3.96 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 53 I 8.54 3.62 1.87 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 1.63 0.69 0.90 0.00 0.00 54 D 8.04 4.37 0.00 2.69 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 55 E 8.43 3.98 0.00 2.20 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 2.36 0.00 56 K 7.97 3.94 0.00 1.97 1.83 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.48 1.50 7.81 57 V 7.86 3.57 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 1.01 0.00 0.00 0.93 0.00 0.00 58 E 8.24 4.00 0.00 2.07 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 0.00 2.33 2.34 0.00 59 L 8.30 4.05 0.00 2.08 1.70 0.89 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 8.15 4.06 0.00 3.10 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 61 R 8.46 4.47 0.00 1.85 2.04 0.00 3.52 0.00 0.00 3.50 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.88 0.00 62 L 7.63 4.11 0.00 1.96 1.51 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.48 3.48 0.00 1.39 0.81 0.00 1.27 0.00 0.00 1.49 0.00 0.00 2.83 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.30 0.39 7.81 64 F 6.58 5.22 0.00 2.67 2.92 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 65 K 9.52 3.69 0.00 1.21 2.24 0.00 1.82 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.11 7.81 66 E 8.23 5.05 0.00 2.30 1.92 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 2.58 2.26 0.00 67 S 9.02 5.10 0.00 4.15 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 68 F 9.35 3.90 0.00 3.05 3.23 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 69 A 8.03 4.09 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 70 E 7.78 4.10 0.00 2.22 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 2.36 2.36 0.00 71 M 8.30 4.16 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 72 N 7.75 4.81 0.00 2.81 2.88 0.00 0.00 6.94 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 73 R 7.47 4.03 0.00 1.85 1.94 0.00 3.27 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 74 S 8.54 4.47 0.00 4.07 3.87 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 75 T 8.20 4.66 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 1.24 0.00 0.00 76 N 8.38 4.88 0.00 2.82 2.74 0.00 0.00 6.43 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 77 E 8.11 3.92 0.00 2.07 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 2.35 2.34 0.00 78 W 8.56 4.53 0.00 3.65 3.38 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 79 K 6.48 2.94 0.00 1.43 1.37 0.00 1.28 0.00 0.00 1.27 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.30 0.21 7.81 80 T 7.63 3.78 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 1.20 0.00 0.00 81 V 7.72 3.61 2.34 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 1.19 0.00 0.00 0.99 0.00 0.00 82 V 8.35 3.77 2.30 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 1.20 0.00 0.00 1.32 0.00 0.00 83 G 8.24 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 0.00 0.00 0.00 84 A 8.47 4.16 1.57 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 0.00 0.00 85 A 8.43 4.15 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 86 M 8.58 4.12 0.00 2.12 2.35 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.61 0.00 87 F 8.36 4.11 0.00 3.08 3.08 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 88 F 8.25 3.98 0.00 3.33 3.08 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 89 I 8.00 3.97 1.92 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 1.51 0.65 0.93 0.00 0.00 90 G 8.14 3.65 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 0.00 0.00 0.00 91 F 8.10 3.97 0.00 2.46 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 92 T 7.73 3.63 4.46 0.00 0.00 0.00 0.00 0.00 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 93 A 7.76 4.00 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 94 L 7.84 3.90 0.00 1.40 1.57 0.90 0.70 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 95 L 7.29 3.78 0.00 1.66 1.56 0.81 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.93 4.03 0.00 1.83 1.73 0.92 0.64 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 97 I 7.89 3.78 2.05 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 1.17 0.95 0.00 0.00 98 W 8.52 4.35 0.00 3.35 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 99 E 8.74 4.01 0.00 2.27 2.34 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 2.32 1.84 0.00 100 K 7.69 3.96 0.00 1.85 2.06 0.00 1.88 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.50 7.81 101 H 8.09 4.04 0.00 3.05 3.03 0.00 5.76 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 7.66 4.06 0.00 1.45 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 0.00 0.00 0.00 0.00 103 V 7.07 3.89 1.97 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 0.74 0.00 0.00 0.88 0.00 0.00 104 Y 8.01 4.69 0.00 3.09 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 0.00 105 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 0.00 106 P 0.00 4.40 0.00 2.16 2.02 0.00 3.73 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 1.95 1.92 0.00 107 I 7.84 4.04 1.59 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.23 0.64 0.00 0.00 108 P 0.00 4.30 0.00 2.07 2.18 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.11 0.00 109 H 8.48 4.31 0.00 3.31 3.53 0.00 5.65 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 6.95 2.60 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 -0.26 0.00 0.00 111 F 7.46 4.40 0.00 3.12 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 0.00 112 E 7.95 4.17 0.00 2.11 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 2.47 0.00 113 E 8.90 4.00 0.00 2.07 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 2.48 2.48 0.00 114 E 8.23 3.98 0.00 2.09 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 2.38 2.37 0.00 115 W 8.37 4.00 0.00 3.60 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 0.00 116 V 8.26 4.05 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 0.93 0.00 0.00 1.07 0.00 0.00 117 A 7.76 4.08 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 0.00 118 K 8.23 3.83 0.00 1.52 1.60 0.00 1.52 0.00 0.00 1.47 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.37 7.81 119 Q 8.42 3.85 0.00 2.29 2.29 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 2.37 2.48 0.00 120 T 8.20 4.05 4.44 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 1.52 0.00 0.00 121 K 7.82 3.66 0.00 1.87 1.91 0.00 1.33 0.00 0.00 1.49 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.40 7.81 122 R 7.96 3.79 0.00 1.81 1.97 0.00 3.07 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 123 M 8.00 3.96 0.00 1.78 1.99 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.42 0.00 124 L 7.90 4.09 0.00 1.62 1.33 -0.68 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 125 D 8.01 4.37 0.00 2.76 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 0.00 126 M 8.15 4.32 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.87 0.00 127 K 7.73 4.27 0.00 1.89 1.99 0.00 1.71 0.00 0.00 1.43 0.00 0.00 2.68 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.38 7.81 128 V 8.24 3.39 1.97 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 0.75 0.00 0.00 0.87 0.00 0.00 129 A 8.77 3.94 1.50 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 0.00 130 P 0.00 4.55 0.00 2.29 2.44 0.00 3.83 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 131 I 7.74 4.18 1.92 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 1.46 0.62 0.95 0.00 0.00 132 Q 7.99 4.79 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.08 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 133 G 8.06 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 0.00 0.00 0.00 134 F 8.10 4.64 0.00 3.19 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 0.00 135 S 9.61 4.32 0.00 4.11 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 0.00 136 A 8.20 4.32 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 0.00 137 K 8.40 4.73 0.00 1.87 1.83 0.00 1.66 0.00 0.00 1.46 0.00 0.00 2.75 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.38 1.39 7.81 138 W 8.00 5.20 0.00 2.93 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 0.00 139 D 8.13 4.47 0.00 2.42 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 0.00 0.00 0.00 140 Y 8.37 4.52 0.00 3.14 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 0.00 141 D 7.26 4.59 0.00 2.83 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 0.00 142 K 7.92 3.98 0.00 1.54 1.81 0.00 1.91 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.37 7.81 143 N 7.62 3.83 0.00 2.76 2.79 0.00 0.00 6.71 7.82 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 0.00 144 E 5.90 3.92 0.00 1.74 1.69 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 1.88 2.02 0.00 145 W 8.27 4.69 0.00 3.19 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 0.00 146 K 8.17 3.84 0.00 1.64 1.78 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.37 7.81 147 K 8.35 4.06 0.00 1.87 1.59 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.31 1.46 7.81