NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6565 8.1476 120.2789 55.1648 34.0780 173.7590 2 K 4.9203 8.5793 123.2450 54.6858 35.7767 170.2948 3 V 4.7756 9.5480 117.9605 59.8041 37.0564 175.6112 4 I 4.6089 9.2095 123.0070 59.4415 38.1622 175.7399 5 L 4.2328 8.4939 126.7667 55.4068 41.8720 177.6508 6 L 4.6217 8.1629 119.5879 54.3431 43.4303 176.3746 7 E 4.6935 7.7335 113.1230 54.5327 31.4941 173.7581 8 P 4.3658 0.0000 0.0000 63.5126 31.8631 175.7341 9 L 4.3205 8.5402 117.8326 54.9015 42.7217 172.1613 10 E 3.5990 8.8456 122.8616 56.4770 30.2086 171.7562 11 N 3.8503 9.4853 121.7162 54.6119 36.4170 170.9425 12 L 3.9985 8.6096 124.6433 55.3045 41.2755 174.4875 13 G 4.5760 7.5844 105.3497 45.9604 0.0000 175.3140 14 D 4.2383 9.2093 127.8254 53.2187 41.2676 176.6526 15 V 3.2327 8.8366 106.5510 64.0475 31.1598 175.9664 16 G 4.0710 8.9104 106.0425 45.4794 0.0000 174.6195 17 Q 3.8600 8.1433 122.9054 58.7217 29.1643 173.3150 18 V 4.2830 8.0429 121.1117 63.5431 28.7068 170.0990 19 V 4.6311 7.6380 124.0608 59.2984 35.0419 174.0487 20 D 5.4765 8.4070 120.2990 52.0916 41.5731 175.8288 21 V 4.5569 9.5534 119.7215 60.2908 34.9694 173.6713 22 K 3.9694 8.8366 120.9632 55.9822 32.6400 175.7679 23 P 4.4219 0.0000 0.0000 66.0759 30.8144 179.0378 24 G 3.6115 8.0982 104.9718 47.8836 0.0000 174.8698 25 Y 4.2718 8.1297 121.6236 60.8341 38.9059 177.1619 26 A 4.0072 8.1650 121.6002 55.3573 18.2654 179.2757 27 R 4.3082 8.6659 114.9130 57.6108 30.0737 177.0172 28 N 4.9584 7.9859 115.5011 53.2818 38.7466 174.0291 29 Y 4.9437 7.2121 118.5837 58.1994 44.1109 176.3342 30 L 4.1834 8.7275 118.9676 58.4244 42.2835 180.0164 31 L 3.9136 8.7636 118.1617 57.4243 41.5230 177.9590 32 P 4.3146 0.0000 0.0000 65.6387 31.1131 178.9255 33 R 4.2416 8.6930 112.8523 55.5111 29.5484 176.5832 34 G 4.1243 7.7540 106.3313 45.9236 0.0000 174.2138 35 L 4.6746 8.4989 114.7302 52.6277 40.2520 175.3496 36 A 4.8625 6.7981 123.1530 53.0610 20.8589 176.0067 37 V 4.5638 7.4540 118.2339 61.0906 35.6465 174.0689 38 L 4.2899 8.4539 124.4674 53.9563 42.2956 178.9966 39 A 4.3609 8.2978 127.0130 51.1999 17.0153 178.1343 40 T 3.9073 8.2118 116.1375 65.5086 69.1421 175.1337 41 E 4.2150 8.6922 121.0027 57.8857 29.8355 178.8456 42 S 4.2641 7.7144 116.5486 61.4112 63.5943 175.9033 43 N 4.4012 7.9531 118.6109 56.0422 38.3133 177.1850 44 L 3.5079 8.2408 122.0863 57.8157 42.2219 178.9355 45 K 3.9695 7.5608 119.6745 59.0413 32.1224 178.7636 46 A 4.0694 7.9748 121.2704 54.7867 18.3240 179.0485 47 L 3.8230 8.6813 120.1257 58.6018 41.9922 178.6009 48 E 3.9189 7.8973 118.8372 59.5166 29.2778 178.9664 49 A 3.9664 7.5391 118.9689 55.3870 18.5207 179.6703 50 R 3.8402 8.3267 116.9645 59.7476 30.0975 179.3929 51 I 3.7890 8.4004 120.1076 63.8292 36.9464 178.6964 52 R 3.8675 7.7276 117.0444 59.1946 29.5596 178.2718 53 A 3.9625 8.0878 122.7360 55.0162 18.2499 179.0681 54 Q 3.8656 7.8712 117.3992 59.3080 29.3306 178.1799 55 A 4.0560 8.2329 121.4681 54.0077 18.3268 178.8369 56 K 4.1506 8.1161 118.6379 58.6525 32.7072 178.7540 57 R 3.9106 8.0537 115.1351 58.9619 29.4224 178.1538 58 L 4.0096 8.3413 121.9212 58.0323 42.2745 178.5009 59 A 4.0965 7.7699 118.7765 54.1221 18.1144 178.8952 60 E 3.9954 8.1850 117.8951 58.9383 30.0279 178.5742 61 R 4.0858 8.2169 118.8277 59.0439 29.9845 178.8786 62 K 4.1313 8.0578 118.8078 59.2063 32.1272 178.3947 63 A 4.5065 7.8177 121.2373 54.2194 18.4141 178.2551 64 E 4.0847 8.4004 118.8906 58.3127 29.6959 177.8982 65 A 3.8322 8.1393 118.6012 55.6172 18.2486 179.0673 66 E 3.8435 8.3572 114.1852 59.8314 29.8453 179.3944 67 R 3.9508 8.2696 119.7048 58.7810 30.6524 177.5668 68 L 4.5867 7.8479 119.3429 54.9255 41.1607 177.3575 69 K 4.3936 7.6685 119.9295 58.0617 34.8428 176.6104 70 E 4.4674 7.7834 114.5063 56.4765 28.9742 176.8376 71 I 4.6551 7.5816 117.1625 60.0623 39.5389 175.2848 72 L 4.4870 7.6970 120.1731 56.7828 43.8451 177.0320 73 E 4.1157 8.6047 117.2804 57.1776 29.3608 176.3525 74 N 4.6261 7.0047 114.6336 55.2386 38.6751 175.3762 75 L 4.3571 7.4565 120.9016 54.1263 43.7873 178.0235 76 T 4.7836 7.6919 116.7839 62.5317 68.6105 177.2704 77 L 4.6702 7.8925 135.0000 57.0032 42.4140 176.7935 78 T 4.0484 6.6161 107.6687 61.8902 72.3812 173.2942 79 I 3.7156 7.5721 128.2438 59.6201 38.4586 170.0758 80 P 4.9426 0.0000 0.0000 62.0594 32.3694 176.1605 81 V 4.4465 8.2917 116.9853 59.2869 36.3103 174.1735 82 R 4.3132 9.0404 123.9693 57.1992 29.2500 176.6066 83 A 4.6444 8.9586 126.9453 50.6838 22.5871 180.1936 84 G 4.0796 8.8674 103.6530 46.3025 0.0000 175.6934 85 E 4.3997 9.1036 119.9225 55.9501 32.4347 174.8502 86 T 3.4008 8.0525 124.9899 63.6207 66.5396 173.5190 87 K 4.4371 6.8658 118.1654 55.7978 35.7656 174.0617 88 I 3.9427 8.4178 127.6978 61.7175 37.7802 176.2747 89 Y 4.1455 8.6088 121.6720 60.2098 38.6882 176.3443 90 G 4.3259 7.9097 110.1717 44.7781 0.0000 171.9577 91 S 4.7193 8.4136 116.7730 56.9104 66.8556 174.3578 92 V 4.4275 8.0638 118.7026 59.9648 30.7950 175.6193 93 T 3.9805 7.6195 112.2742 62.5252 70.7632 174.6336 94 A 3.9550 8.3959 122.5936 55.2580 18.6085 179.5997 95 K 3.7687 7.5154 115.4028 59.9657 32.1006 178.4580 96 D 4.4783 8.1094 118.9266 56.9163 41.0571 178.3934 97 I 3.8600 7.8736 119.5515 63.2494 37.0383 177.3117 98 A 4.1284 8.0833 123.5502 52.7628 18.2811 179.0969 99 E 3.8569 8.8120 116.1505 59.0542 30.2809 177.6452 100 A 4.0241 7.9664 119.2334 54.2727 17.9165 178.3396 101 L 3.9713 7.9884 117.1956 57.5111 42.5771 179.6664 102 S 5.1509 8.7926 116.2506 59.6843 63.4851 175.6770 103 R 4.5105 5.9061 125.5953 54.9153 28.2716 174.8516 104 Q 4.5768 7.3796 122.6811 56.7887 33.6124 173.9050 105 H 4.9183 8.0119 109.6711 54.2894 32.1509 172.9318 106 G 3.8570 8.9336 107.9438 46.9047 0.0000 174.0058 107 V 4.4672 7.5661 117.2119 60.5938 34.8087 173.6625 108 T 5.0415 8.4743 115.6314 59.8775 71.7338 172.5452 109 I 4.8457 7.7888 115.7122 60.5849 36.8237 174.9424 110 D 4.8806 8.6428 113.8134 55.0257 43.3166 174.7234 111 P 4.5431 0.0000 0.0000 63.6319 32.2707 176.5878 112 K 3.6251 7.8839 117.7472 58.7236 32.8521 175.6664 113 R 3.6385 8.7630 122.5401 56.8969 26.6215 173.2462 114 L 4.6767 8.3523 119.5187 56.5148 45.2656 174.7504 115 A 3.7624 7.6071 122.3679 51.8121 19.3124 177.6128 116 L 4.3123 7.2270 123.3713 54.8993 41.6831 179.2195 117 E 4.1225 7.6209 118.7761 56.6830 27.7272 171.7060 118 K 3.8947 8.0968 128.8133 54.5755 32.6075 174.0623 119 P 4.2788 0.0000 0.0000 62.5359 32.6451 175.3577 120 I 3.9930 8.2335 122.3916 60.3638 39.0430 174.5150 121 K 4.8525 8.2843 129.4703 55.1943 35.5708 172.9856 122 E 4.0327 8.9183 125.6897 55.5283 28.9684 174.7086 123 L 4.3408 8.0985 121.3293 53.9516 42.8903 176.7726 124 G 3.5063 7.0903 105.1811 45.0833 0.0000 172.8683 125 E 4.2946 7.1805 115.6543 54.7209 30.5868 174.0047 126 Y 4.8395 7.2852 120.0761 56.7934 40.8000 174.6567 127 V 4.7235 8.4451 121.1170 61.2943 33.2655 173.9252 128 L 4.8521 8.7989 130.4394 53.3557 44.2753 175.9796 129 T 4.7256 8.4184 115.3462 62.0488 70.0997 172.5727 130 Y 4.8611 8.7169 121.4278 57.3286 42.2963 172.2310 131 K 4.3360 6.7629 116.9748 55.6061 35.0436 173.1143 132 P 4.4356 0.0000 0.0000 63.6106 32.5000 175.1847 133 H 3.5148 8.7980 118.0620 56.2823 29.4063 173.8124 134 P 3.8673 0.0000 0.0000 63.3000 27.5657 173.7401 135 E 4.1666 7.6633 121.4086 56.5444 30.5869 177.1589 136 V 4.6457 7.9770 117.2270 59.4572 34.8057 172.5013 137 P 5.0038 0.0000 0.0000 61.6118 32.8782 174.6516 138 I 4.6754 8.9770 124.4568 59.0544 40.8169 174.0442 139 Q 5.3087 8.6955 126.6345 54.7352 31.0548 174.4373 140 L 4.7281 8.5595 119.5008 54.6352 43.6720 175.2598 141 K 5.3731 8.4533 119.2721 55.3739 33.8860 177.2767 142 V 4.2809 8.3142 115.3711 60.0937 32.9369 175.6140 143 S 4.6348 9.0983 124.2821 57.0077 65.1650 173.7722 144 V 5.2738 7.6471 118.4147 59.9261 35.2085 179.1285 145 V 3.0444 7.9669 114.4540 62.8134 30.6572 173.1799 146 A 4.3279 8.7172 131.8653 53.2021 19.1019 176.3757 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 8.15 4.66 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.50 0.00 2 K 8.58 4.92 0.00 1.84 1.86 0.00 1.43 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.53 7.81 3 V 9.55 4.78 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 0.69 0.00 0.00 0.85 0.00 0.00 4 I 9.21 4.61 1.85 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 1.21 1.19 0.89 0.00 0.00 5 L 8.49 4.23 0.00 1.49 1.60 0.91 0.92 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 6 L 8.16 4.62 0.00 1.54 1.63 0.94 0.83 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 7 E 7.73 4.69 0.00 1.99 1.84 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 2.06 2.22 0.00 8 P 0.00 4.37 0.00 2.06 2.06 0.00 3.71 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 2.03 2.09 0.00 9 L 8.54 4.32 0.00 1.74 1.72 0.94 0.69 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 10 E 8.85 3.60 0.00 2.26 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 2.20 2.37 0.00 11 N 9.49 3.85 0.00 2.89 2.94 0.00 0.00 7.28 7.78 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 12 L 8.61 4.00 0.00 1.76 1.92 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 13 G 7.58 4.58 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 14 D 9.21 4.24 0.00 2.84 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 V 8.84 3.23 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 0.66 0.00 0.00 0.92 0.00 0.00 16 G 8.91 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 17 Q 8.14 3.86 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 5.77 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 18 V 8.04 4.28 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 0.83 0.00 0.00 0.91 0.00 0.00 19 V 7.64 4.63 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 0.71 0.00 0.00 0.91 0.00 0.00 20 D 8.41 5.48 0.00 2.80 2.66 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 0.00 0.00 0.00 0.00 21 V 9.55 4.56 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 0.45 0.00 0.00 1.04 0.00 0.00 22 K 8.84 3.97 0.00 1.95 1.86 0.00 1.72 0.00 0.00 1.90 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.58 1.55 7.81 23 P 0.00 4.42 0.00 2.28 2.35 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 2.11 2.07 0.00 24 G 8.10 3.61 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 0.00 0.00 0.00 25 Y 8.13 4.27 0.00 3.03 3.03 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 26 A 8.16 4.01 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 27 R 8.67 4.31 0.00 1.99 2.10 0.00 3.05 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.71 0.00 28 N 7.99 4.96 0.00 3.01 2.92 0.00 0.00 6.65 7.48 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 29 Y 7.21 4.94 0.00 3.02 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 30 L 8.73 4.18 0.00 1.88 1.61 0.49 0.65 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 31 L 8.76 3.91 0.00 1.80 1.71 0.93 1.08 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 32 P 0.00 4.31 0.00 2.25 2.11 0.00 3.78 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 33 R 8.69 4.24 0.00 1.34 1.65 0.00 3.35 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.58 0.00 34 G 7.75 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 35 L 8.50 4.67 0.00 1.64 1.60 0.72 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 36 A 6.80 4.86 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 0.00 0.00 37 V 7.45 4.56 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 0.90 0.00 0.00 0.90 0.00 0.00 38 L 8.45 4.29 0.00 1.54 1.58 0.91 0.79 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 39 A 8.30 4.36 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 40 T 8.21 3.91 4.32 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 1.25 0.00 0.00 41 E 8.69 4.22 0.00 2.15 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 0.00 2.35 2.34 0.00 42 S 7.71 4.26 0.00 3.88 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 43 N 7.95 4.40 0.00 2.72 2.84 0.00 0.00 6.70 6.74 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 44 L 8.24 3.51 0.00 2.05 1.62 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.56 3.97 0.00 2.15 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.44 7.81 46 A 7.97 4.07 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 47 L 8.68 3.82 0.00 1.78 1.86 0.91 0.89 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 48 E 7.90 3.92 0.00 2.06 2.21 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 2.31 2.40 0.00 49 A 7.54 3.97 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.33 3.84 0.00 1.96 2.00 0.00 3.09 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 51 I 8.40 3.79 2.07 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 1.57 1.09 0.90 0.00 0.00 52 R 7.73 3.87 0.00 1.98 2.17 0.00 2.80 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 53 A 8.09 3.96 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 54 Q 7.87 3.87 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 55 A 8.23 4.06 1.45 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 0.00 0.00 56 K 8.12 4.15 0.00 1.85 2.15 0.00 1.53 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.47 7.81 57 R 8.05 3.91 0.00 1.96 2.05 0.00 3.16 0.00 0.00 3.14 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 2.06 0.00 58 L 8.34 4.01 0.00 1.82 1.72 0.87 1.01 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 59 A 7.77 4.10 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 60 E 8.18 4.00 0.00 2.03 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 0.00 2.32 2.39 0.00 61 R 8.22 4.09 0.00 2.02 1.96 0.00 3.34 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.75 0.00 62 K 8.06 4.13 0.00 1.91 1.83 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.75 1.55 7.81 63 A 7.82 4.51 1.45 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 0.00 0.00 64 E 8.40 4.08 0.00 2.29 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 2.31 2.38 0.00 65 A 8.14 3.83 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 66 E 8.36 3.84 0.00 2.18 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 0.00 2.50 2.38 0.00 67 R 8.27 3.95 0.00 1.90 2.20 0.00 3.10 0.00 0.00 3.18 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 68 L 7.85 4.59 0.00 1.66 1.69 0.93 1.29 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 69 K 7.67 4.39 0.00 1.87 1.93 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.26 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.44 7.81 70 E 7.78 4.47 0.00 2.08 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 2.33 2.29 0.00 71 I 7.58 4.66 1.86 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 1.27 1.14 0.91 0.00 0.00 72 L 7.70 4.49 0.00 1.70 1.57 0.84 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.60 4.12 0.00 2.00 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 2.33 2.53 0.00 74 N 7.00 4.63 0.00 2.68 2.83 0.00 0.00 6.95 7.67 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 75 L 7.46 4.36 0.00 1.55 1.60 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.69 4.78 4.25 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 1.24 0.00 0.00 77 L 7.89 4.67 0.00 1.88 0.72 0.90 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 78 T 6.62 4.05 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 1.20 0.00 0.00 79 I 7.57 3.72 2.21 0.00 0.00 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 1.47 0.67 0.94 0.00 0.00 80 P 0.00 4.94 0.00 2.20 2.17 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 81 V 8.29 4.45 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 0.79 0.00 0.00 1.09 0.00 0.00 82 R 9.04 4.31 0.00 1.76 1.83 0.00 3.15 0.00 0.00 3.32 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.52 0.00 83 A 8.96 4.64 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 84 G 8.87 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 85 E 9.10 4.40 0.00 1.87 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 0.00 2.18 2.23 0.00 86 T 8.05 3.40 4.22 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 1.21 0.00 0.00 87 K 6.87 4.44 0.00 1.63 1.64 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.06 1.14 7.81 88 I 8.42 3.94 2.14 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 1.47 0.95 0.98 0.00 0.00 89 Y 8.61 4.15 0.00 2.89 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 90 G 7.91 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 91 S 8.41 4.72 0.00 4.03 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 92 V 8.06 4.43 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 0.87 0.00 0.00 0.95 0.00 0.00 93 T 7.62 3.98 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 94 A 8.40 3.96 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 95 K 7.52 3.77 0.00 1.78 1.85 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.66 7.81 96 D 8.11 4.48 0.00 3.05 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 97 I 7.87 3.86 1.93 0.00 0.00 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 1.62 1.35 0.87 0.00 0.00 98 A 8.08 4.13 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.81 3.86 0.00 2.01 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 2.37 0.00 100 A 7.97 4.02 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 0.00 101 L 7.99 3.97 0.00 1.72 1.88 0.80 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.79 5.15 0.00 4.03 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 0.00 103 R 5.91 4.51 0.00 1.89 1.90 0.00 3.20 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 104 Q 7.38 4.58 0.00 1.93 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.45 6.80 0.00 0.00 0.00 0.00 0.00 1.94 2.17 0.00 105 H 8.01 4.92 0.00 3.28 3.19 0.00 5.84 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 0.00 106 G 8.93 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 0.00 107 V 7.57 4.47 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 1.03 0.00 0.00 0.97 0.00 0.00 108 T 8.47 5.04 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 1.22 0.00 0.00 109 I 7.79 4.85 1.88 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 1.39 1.84 0.55 0.00 0.00 110 D 8.64 4.88 0.00 2.87 2.66 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 0.00 0.00 0.00 0.00 111 P 0.00 4.54 0.00 2.22 2.32 0.00 3.84 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 112 K 7.88 3.63 0.00 1.88 1.94 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.50 7.81 113 R 8.76 3.64 0.00 1.91 1.93 0.00 3.19 0.00 0.00 3.12 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.58 0.00 114 L 8.35 4.68 0.00 2.01 1.63 1.08 1.32 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 0.00 115 A 7.61 3.76 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 0.00 116 L 7.23 4.31 0.00 1.60 1.64 0.94 1.03 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 0.00 117 E 7.62 4.12 0.00 1.97 1.88 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 2.30 2.26 0.00 118 K 8.10 3.89 0.00 1.88 1.84 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.37 7.81 119 P 0.00 4.28 0.00 1.91 2.02 0.00 3.65 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 120 I 8.23 3.99 1.64 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.23 0.84 0.00 0.00 121 K 8.28 4.85 0.00 1.75 1.62 0.00 1.92 0.00 0.00 1.68 0.00 0.00 3.15 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.41 7.81 122 E 8.92 4.03 0.00 2.24 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 2.30 2.31 0.00 123 L 8.10 4.34 0.00 1.63 1.60 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.09 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.18 4.29 0.00 1.78 1.71 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 2.15 2.17 0.00 126 Y 7.29 4.84 0.00 2.96 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 0.00 127 V 8.45 4.72 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 0.81 0.00 0.00 0.96 0.00 0.00 128 L 8.80 4.85 0.00 1.75 1.51 0.96 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 129 T 8.42 4.73 4.29 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 1.24 0.00 0.00 130 Y 8.72 4.86 0.00 2.94 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 0.00 131 K 6.76 4.34 0.00 1.35 1.46 0.00 1.53 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.25 1.43 7.81 132 P 0.00 4.44 0.00 2.05 1.91 0.00 3.77 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.88 0.00 133 H 8.80 3.51 0.00 3.36 3.30 0.00 5.52 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 3.87 0.00 2.08 2.46 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 135 E 7.66 4.17 0.00 2.14 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 2.28 2.36 0.00 136 V 7.98 4.65 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 0.87 0.00 0.00 0.97 0.00 0.00 137 P 0.00 5.00 0.00 2.12 2.12 0.00 3.86 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 138 I 8.98 4.68 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.81 0.96 0.00 0.00 139 Q 8.70 5.31 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.52 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 140 L 8.56 4.73 0.00 1.64 1.64 0.95 0.75 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 0.00 141 K 8.45 5.37 0.00 1.54 1.75 0.00 1.87 0.00 0.00 2.35 0.00 0.00 2.69 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.70 1.29 7.81 142 V 8.31 4.28 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 0.91 0.00 0.00 0.90 0.00 0.00 143 S 9.10 4.63 0.00 3.91 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 0.00 144 V 7.65 5.27 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 0.74 0.00 0.00 0.97 0.00 0.00 145 V 7.97 3.04 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 0.94 0.00 0.00 146 A 8.72 4.33 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