NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 H 4.6326 8.4449 116.3151 55.8370 29.8429 171.4650 -3 H 4.8317 8.5313 115.7751 54.2302 31.2307 172.6696 -2 M 4.5803 9.2995 119.6393 54.4831 34.7049 175.7603 -1 N 4.3260 8.3685 114.4508 54.6001 36.3773 174.4028 0 S 4.9018 7.9323 108.5666 58.2090 63.9746 175.7074 1 M 4.1153 8.2266 123.4909 58.7615 31.5568 178.2233 2 A 4.2247 8.1239 120.7174 55.1437 18.6744 179.0507 3 L 3.6473 8.1808 118.3803 58.3568 42.1313 179.2368 4 K 4.0185 8.3649 118.4391 59.3984 31.9244 179.3460 5 R 3.9084 8.1654 118.9646 59.5073 29.9566 178.6553 6 I 3.3842 7.9623 119.9350 64.5632 36.9892 178.0060 7 H 4.1148 8.4635 117.4477 58.7888 28.4993 177.6419 8 K 3.9590 8.2394 121.2603 59.7400 31.5149 178.7510 9 E 4.0634 8.4030 118.9558 59.2088 29.4739 179.1014 10 L 4.2329 8.4952 120.8994 58.3632 42.0595 178.8523 11 N 4.4241 8.4174 116.4895 56.3199 38.4373 177.2420 12 D 4.3905 8.4105 120.5972 57.1187 40.6926 178.3755 13 L 4.0057 8.2576 120.7817 58.2448 41.8585 178.9848 14 A 4.0095 7.7187 119.1448 55.2300 18.3933 179.4947 15 R 4.2425 7.6152 115.3940 57.8581 31.5032 176.9451 16 D 4.7390 7.9459 117.1873 52.0002 41.6893 172.0316 17 P 4.6863 0.0000 0.0000 60.3239 32.7420 174.9041 18 P 4.3243 0.0000 0.0000 62.3883 31.9192 177.0873 19 A 4.0099 8.8915 126.4278 55.5590 18.4133 178.2592 20 Q 4.4055 8.0904 111.8699 56.5513 29.2941 174.7676 21 C 5.5979 8.0841 116.0958 57.8355 31.2913 173.5141 22 S 5.0102 8.6870 116.2109 56.9506 66.1642 172.5826 23 A 4.9522 7.7564 119.3934 51.4472 21.9602 175.5724 24 G 2.8640 8.1509 106.6530 44.6926 0.0000 170.8286 25 P 4.6606 0.0000 0.0000 62.5071 31.3969 177.5329 26 V 3.8340 8.7930 124.4755 65.6317 32.8512 175.9582 27 G 4.2549 7.3337 105.7251 45.6189 0.0000 172.5869 28 D 4.5620 9.1581 123.8846 52.8047 39.6396 175.2084 29 D 4.8869 7.7300 120.5854 52.9573 41.4836 176.5398 30 M 4.3275 8.7467 127.0836 57.6114 32.2838 177.5339 31 F 4.3690 9.0105 116.8950 58.1931 39.7896 174.4824 32 H 5.4417 8.7426 118.7878 54.0538 31.3721 172.8745 33 W 5.5111 9.6500 123.9097 54.9043 32.7603 174.9857 34 Q 5.2718 8.9675 118.8523 54.7703 31.3487 174.2499 35 A 5.2699 8.9436 120.8113 50.9956 23.5894 175.0792 36 T 5.1483 9.1654 115.1347 61.9293 73.0214 173.4393 37 I 4.9418 8.7701 126.1217 59.7079 40.5574 174.6360 38 M 4.7226 9.1214 128.2828 54.5211 32.7139 176.7647 39 G 4.1132 9.1471 111.3502 46.2765 0.0000 171.6036 40 P 4.4997 0.0000 0.0000 63.0073 31.9662 176.3038 41 N 4.4693 9.0162 119.8000 55.7918 39.1836 175.7006 42 D 4.9052 7.7862 118.3536 51.0014 38.6961 175.1116 43 S 4.6695 7.1710 115.6061 57.1134 65.8934 173.9775 44 P 4.3950 0.0000 0.0000 64.2496 31.2554 176.7750 45 Y 5.0316 7.4501 116.0689 57.1353 38.1955 175.1255 46 Q 4.4115 7.6801 122.0535 57.8035 29.4534 176.2661 47 G 4.0822 9.1759 113.4653 45.2089 0.0000 173.9285 48 G 3.7855 8.3255 107.0514 45.9632 0.0000 173.1245 49 V 4.6242 8.0883 121.4662 60.7583 33.9042 174.6973 50 F 4.4696 8.8956 127.2085 55.5643 41.7497 174.6796 51 F 5.4526 8.9776 122.7275 56.3099 41.1036 174.9920 52 L 5.2919 9.0969 121.6914 53.1855 46.3812 175.4030 53 T 5.0987 8.8495 110.9007 60.1142 72.1286 173.1073 54 I 4.8785 8.7695 123.6722 59.7788 41.2037 173.6794 55 H 5.1698 9.0304 127.1121 54.2618 32.0906 172.6217 56 F 4.3934 9.0071 126.1346 56.0516 39.7628 174.4264 57 P 4.5014 0.0000 0.0000 62.2183 32.1589 177.4157 58 T 3.8121 8.5009 109.9922 64.1238 68.7939 174.4997 59 D 5.0570 8.0274 120.8280 52.8399 39.8667 175.0872 60 Y 4.4635 8.0385 120.7883 58.6324 39.1116 174.0596 61 P 3.5284 0.0000 0.0000 62.4564 31.5057 176.9162 62 F 4.6597 8.2183 117.4456 58.7970 39.3156 175.7866 63 K 4.6610 7.6197 118.9990 53.4028 35.8722 174.2577 64 P 2.9700 0.0000 0.0000 60.9131 31.8995 174.3957 65 P 4.1160 0.0000 0.0000 62.7048 32.4324 175.4869 66 K 4.3176 8.4222 121.2641 55.2054 33.5822 175.8545 67 V 4.8665 8.2782 124.3066 60.9929 34.2889 174.3813 68 A 5.0529 8.7625 127.8315 50.1836 23.1363 175.2865 69 F 4.7828 9.5990 120.1495 57.8708 39.8767 176.3186 70 T 4.6349 9.2869 111.6940 62.0291 70.3082 174.3587 71 T 4.7504 8.1047 118.8835 61.9812 70.1559 175.1080 72 R 4.1559 8.5581 124.4675 56.4276 30.8054 176.0036 73 I 4.8354 8.0655 119.9418 59.9780 40.9160 174.1284 74 Y 3.8587 8.7305 128.3612 56.6289 37.5350 173.7282 75 H 4.8372 7.5918 124.9804 54.0185 33.1327 172.8457 76 P 4.0934 0.0000 0.0000 64.8206 31.5843 177.4524 77 N 4.9183 8.2254 113.4805 52.6225 39.1857 173.6849 78 I 5.3595 7.5742 118.7636 58.3386 40.2497 174.8086 79 N 4.8638 8.2877 122.8147 50.7353 39.5941 175.4276 80 S 4.2296 8.4119 111.5998 60.5746 63.1855 174.6108 81 N 4.4880 8.2917 117.2092 53.4872 38.7650 175.9182 82 G 4.5151 8.4804 107.2191 46.2645 0.0000 173.9466 83 S 4.4794 8.1769 116.8726 58.4058 63.3865 173.0073 84 I 4.7196 8.1399 124.7248 59.7171 39.1739 175.1000 85 C 4.4069 9.1095 129.3951 58.3200 31.3751 172.1948 86 L 4.5682 8.0510 127.6774 52.5298 44.7337 176.1147 87 D 4.4201 9.1998 126.8730 57.5998 41.0225 178.6850 88 I 3.9160 7.8065 112.0911 62.8747 37.5264 176.8921 89 L 4.6388 7.8302 119.5806 53.4038 42.4840 175.9941 90 R 4.7963 8.6944 119.0813 56.0818 30.0082 179.4344 91 S 4.2797 9.3517 124.4783 61.4622 63.0868 174.6588 92 Q 4.5110 7.9032 118.1745 55.0673 28.8720 175.3103 93 W 4.3662 7.8365 127.6963 57.0503 31.4246 175.2432 94 S 4.3682 6.3662 117.5210 55.4483 64.9441 172.7808 95 P 4.4078 0.0000 0.0000 63.7041 31.2544 177.1772 96 A 3.9131 7.2597 121.7639 54.1080 18.5136 177.8598 97 L 4.1121 6.6942 115.8979 54.4373 42.4419 176.2301 98 T 5.3040 7.7920 110.8678 58.3744 73.2785 174.5788 99 I 3.7920 9.4115 120.9490 64.2732 37.7507 178.0538 100 S 4.2179 8.1817 115.8188 61.5025 62.6604 176.5450 101 K 3.9895 8.1738 121.2783 59.3050 31.6818 179.5974 102 V 3.6520 8.0650 118.6369 66.0445 31.5090 178.1118 103 L 3.9986 8.2909 119.0367 57.7827 41.3961 179.4249 104 L 4.0251 8.2052 119.0816 58.1155 41.5087 179.8752 105 S 4.1433 8.3895 115.1297 61.4838 62.6758 176.8139 106 I 3.7036 8.0472 122.7431 64.6309 37.0118 178.1531 107 C 4.1315 8.2354 117.5085 63.0344 27.8670 176.4233 108 S 4.1721 8.3652 116.8519 61.5031 62.1805 176.4981 109 L 4.0878 7.9078 122.2513 58.1288 41.8791 178.6047 110 L 4.1655 7.8599 118.0943 58.1619 41.6166 179.0453 111 C 4.6175 7.9652 115.2318 61.2968 29.3186 173.7542 112 D 4.8262 8.1346 119.9406 50.9557 40.8482 173.5521 113 P 4.2560 0.0000 0.0000 62.7150 32.4992 176.7337 114 N 4.7832 8.8187 119.1079 50.9299 37.4687 174.0906 115 P 4.2534 0.0000 0.0000 64.6364 31.9929 178.0365 116 D 4.5353 7.8967 117.4649 55.4152 41.5854 175.7604 117 D 4.8408 7.7673 118.1552 51.7102 40.8563 172.9510 118 P 4.7265 0.0000 0.0000 61.9499 33.1952 176.7887 119 L 4.3211 8.2815 118.9955 55.3081 42.8996 177.5683 120 V 4.2075 7.2125 117.6254 59.5873 32.4291 173.5041 121 P 4.2328 0.0000 0.0000 65.5021 31.3214 177.9248 122 E 3.9376 8.0985 118.6226 59.1788 29.5354 178.7541 123 I 3.5584 7.5337 119.2163 63.9824 37.1756 177.9579 124 A 3.9022 7.9501 121.7504 55.0963 18.1726 179.5981 125 R 3.8445 8.0080 117.0863 59.7342 30.1110 178.8858 126 I 3.7756 7.9078 119.5475 64.4513 36.9002 177.5963 127 Y 3.7027 8.1420 119.7265 60.9611 38.5760 178.1777 128 Q 4.0506 8.1441 117.8255 58.3255 28.9140 177.7410 129 T 4.5307 7.6762 108.7420 61.7360 71.2303 174.9727 130 D 4.6549 7.9882 120.6639 51.9857 42.9049 175.0567 131 R 3.7676 8.0893 124.0881 58.5167 30.3688 177.0155 132 E 3.8952 8.1097 118.8516 59.1541 29.6232 178.4417 133 K 3.8683 8.2812 119.5593 59.6598 32.2164 177.7962 134 Y 4.1800 8.2749 119.8188 61.0813 38.6521 178.0412 135 N 4.2082 8.6587 117.5784 56.0726 38.5677 177.2972 136 R 3.7983 8.0306 120.0931 59.6871 30.1272 178.7493 137 I 3.4976 7.7790 119.4437 64.0584 36.9663 178.2958 138 A 3.8395 7.8241 122.0793 55.0223 18.0938 179.9322 139 R 4.0956 7.9638 118.1163 58.8134 30.1126 178.8935 140 E 3.9844 8.2653 118.4267 59.5925 29.5685 179.7206 141 W 4.2713 8.7835 119.0266 59.9199 28.9275 178.7863 142 T 4.1977 8.3653 116.0409 66.8910 67.7258 176.4450 143 Q 3.9720 8.0732 120.3346 58.8131 29.1118 177.7417 144 K 3.8236 7.9893 120.2033 58.8578 32.2665 177.5237 145 Y 4.7924 8.0771 113.6623 57.4237 40.1322 176.2884 146 A 4.5346 8.1540 121.3950 51.6048 19.7108 176.0374 147 M 4.2989 7.8598 123.4472 56.7116 32.9887 175.4286 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 H 8.44 4.63 0.00 3.24 3.41 0.00 5.64 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -3 H 8.53 4.83 0.00 3.27 3.27 0.00 5.65 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 M 9.30 4.58 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 -1 N 8.37 4.33 0.00 2.90 2.93 0.00 0.00 6.71 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 0 S 7.93 4.90 0.00 4.04 4.09 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 0.00 0.00 0.00 1 M 8.23 4.12 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.60 0.00 2 A 8.12 4.22 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 0.00 0.00 0.00 0.00 0.00 3 L 8.18 3.65 0.00 1.95 1.99 0.91 0.79 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 4 K 8.36 4.02 0.00 2.03 1.87 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.66 7.81 5 R 8.17 3.91 0.00 2.01 2.18 0.00 3.16 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.84 0.00 6 I 7.96 3.38 1.49 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.03 0.27 0.35 0.00 0.00 7 H 8.46 4.11 0.00 3.40 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.24 3.96 0.00 1.85 2.00 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.51 7.81 9 E 8.40 4.06 0.00 2.23 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 2.42 2.57 0.00 10 L 8.50 4.23 0.00 2.07 1.91 0.36 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.42 4.42 0.00 2.95 2.87 0.00 0.00 7.05 7.58 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 12 D 8.41 4.39 0.00 2.92 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 13 L 8.26 4.01 0.00 1.98 1.98 1.02 1.19 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 14 A 7.72 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 15 R 7.62 4.24 0.00 1.90 2.01 0.00 3.14 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 16 D 7.95 4.74 0.00 2.58 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.69 0.00 2.11 1.99 0.00 3.81 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 18 P 0.00 4.32 0.00 2.22 2.02 0.00 3.67 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 19 A 8.89 4.01 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 20 Q 8.09 4.41 0.00 2.14 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.79 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 21 C 8.08 5.60 0.00 2.87 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 22 S 8.69 5.01 0.00 3.86 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.76 4.95 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.15 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 0.00 0.00 0.00 25 P 0.00 4.66 0.00 1.92 2.05 0.00 3.11 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 26 V 8.79 3.83 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 0.73 0.00 0.00 1.02 0.00 0.00 27 G 7.33 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 0.00 0.00 0.00 0.00 28 D 9.16 4.56 0.00 2.82 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 29 D 7.73 4.89 0.00 2.77 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 30 M 8.75 4.33 0.00 1.78 1.93 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 31 F 9.01 4.37 0.00 3.34 3.34 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 32 H 8.74 5.44 0.00 3.25 3.29 0.00 5.76 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 W 9.65 5.51 0.00 3.18 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 34 Q 8.97 5.27 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 35 A 8.94 5.27 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 36 T 9.17 5.15 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 1.23 0.00 0.00 37 I 8.77 4.94 1.88 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 1.22 0.79 0.96 0.00 0.00 38 M 9.12 4.72 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.51 0.00 39 G 9.15 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 0.00 0.00 0.00 40 P 0.00 4.50 0.00 2.18 2.11 0.00 3.86 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 41 N 9.02 4.47 0.00 2.75 2.93 0.00 0.00 6.91 8.06 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 42 D 7.79 4.91 0.00 2.78 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 43 S 7.17 4.67 0.00 4.12 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 44 P 0.00 4.39 0.00 1.84 2.13 0.00 3.30 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 0.90 1.88 0.00 45 Y 7.45 5.03 0.00 3.24 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 46 Q 7.68 4.41 0.00 2.32 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.49 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 47 G 9.18 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 48 G 8.33 3.79 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 0.00 0.00 0.00 49 V 8.09 4.62 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 0.33 0.00 0.00 0.84 0.00 0.00 50 F 8.90 4.47 0.00 3.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.98 5.45 0.00 2.99 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 9.10 5.29 0.00 1.45 1.42 0.32 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.85 5.10 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 54 I 8.77 4.88 1.76 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.57 -0.16 0.00 0.00 55 H 9.03 5.17 0.00 3.01 3.00 0.00 5.59 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 9.01 4.39 0.00 2.77 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 57 P 0.00 4.50 0.00 2.47 2.11 0.00 3.76 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.10 0.00 58 T 8.50 3.81 4.15 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 0.94 0.00 0.00 59 D 8.03 5.06 0.00 3.01 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 60 Y 8.04 4.46 0.00 3.17 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 61 P 0.00 3.53 0.00 1.76 1.47 0.00 3.25 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.48 0.00 62 F 8.22 4.66 0.00 3.32 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 7.62 4.66 0.00 1.67 1.53 0.00 1.97 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.48 7.81 64 P 0.00 2.97 0.00 1.70 1.44 0.00 3.51 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.87 0.00 65 P 0.00 4.12 0.00 1.39 0.90 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 66 K 8.42 4.32 0.00 1.58 1.68 0.00 1.54 0.00 0.00 1.52 0.00 0.00 2.71 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.20 7.81 67 V 8.28 4.87 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 0.78 0.00 0.00 0.73 0.00 0.00 68 A 8.76 5.05 1.24 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 0.00 0.00 69 F 9.60 4.78 0.00 2.83 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 T 9.29 4.63 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 1.27 0.00 0.00 71 T 8.10 4.75 4.61 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 1.30 0.00 0.00 72 R 8.56 4.16 0.00 1.04 1.38 0.00 3.30 0.00 0.00 3.03 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.71 0.00 73 I 8.07 4.84 1.86 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.57 0.40 0.00 0.00 74 Y 8.73 3.86 0.00 2.12 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.59 4.84 0.00 2.95 2.78 0.00 5.73 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.09 0.00 1.94 1.86 0.00 2.94 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 1.43 1.78 0.00 77 N 8.23 4.92 0.00 2.75 2.88 0.00 0.00 6.92 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 78 I 7.57 5.36 1.42 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 -0.10 0.40 0.00 0.00 79 N 8.29 4.86 0.00 2.90 2.91 0.00 0.00 6.01 7.64 0.00 0.00 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 S 8.41 4.23 0.00 4.03 4.09 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 0.00 0.00 0.00 81 N 8.29 4.49 0.00 2.90 2.91 0.00 0.00 7.00 7.65 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 82 G 8.48 4.52 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 0.00 83 S 8.18 4.48 0.00 4.01 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.14 4.72 1.89 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 1.31 0.87 0.89 0.00 0.00 85 C 9.11 4.41 0.00 2.89 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 8.05 4.57 0.00 1.74 1.45 0.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 87 D 9.20 4.42 0.00 2.74 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.81 3.92 2.02 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.93 0.92 0.00 0.00 89 L 7.83 4.64 0.00 1.79 1.71 0.91 0.76 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 90 R 8.69 4.80 0.00 1.83 0.98 0.00 3.13 0.00 0.00 3.22 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 91 S 9.35 4.28 0.00 4.00 4.02 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 0.00 0.00 0.00 92 Q 7.90 4.51 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.98 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 93 W 7.84 4.37 0.00 3.58 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 94 S 6.37 4.37 0.00 3.56 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 95 P 0.00 4.41 0.00 1.88 1.66 0.00 3.26 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 96 A 7.26 3.91 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 97 L 6.69 4.11 0.00 0.27 1.29 0.54 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 98 T 7.79 5.30 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 1.23 0.00 0.00 99 I 9.41 3.79 1.95 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 1.32 1.50 1.05 0.00 0.00 100 S 8.18 4.22 0.00 3.97 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 0.00 101 K 8.17 3.99 0.00 1.97 1.86 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.56 7.81 102 V 8.07 3.65 2.32 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 1.12 0.00 0.00 1.26 0.00 0.00 103 L 8.29 4.00 0.00 1.91 1.74 1.04 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.21 4.03 0.00 1.85 1.75 0.95 1.15 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 0.00 105 S 8.39 4.14 0.00 4.01 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 0.00 106 I 8.05 3.70 2.03 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 1.57 0.77 1.01 0.00 0.00 107 C 8.24 4.13 0.00 3.15 3.02 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 0.00 0.00 0.00 108 S 8.37 4.17 0.00 4.05 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 0.00 109 L 7.91 4.09 0.00 1.70 1.86 0.94 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.86 4.17 0.00 1.86 1.74 0.67 0.22 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 0.00 111 C 7.97 4.62 0.00 3.17 3.06 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 0.00 112 D 8.13 4.83 0.00 2.59 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.26 0.00 0.70 1.27 0.00 3.42 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 1.23 1.78 0.00 114 N 8.82 4.78 0.00 2.64 2.67 0.00 0.00 7.08 7.65 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 0.00 115 P 0.00 4.25 0.00 2.18 2.04 0.00 3.68 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.20 0.00 116 D 7.90 4.54 0.00 2.67 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 D 7.77 4.84 0.00 2.55 2.49 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 0.00 118 P 0.00 4.73 0.00 2.15 1.94 0.00 3.76 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 1.92 2.03 0.00 119 L 8.28 4.32 0.00 1.58 1.70 0.93 0.65 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 0.00 120 V 7.21 4.21 1.91 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 1.04 0.00 0.00 0.87 0.00 0.00 121 P 0.00 4.23 0.00 2.29 2.27 0.00 3.73 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 122 E 8.10 3.94 0.00 2.12 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 2.44 2.52 0.00 123 I 7.53 3.56 1.68 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.19 0.42 0.00 0.00 124 A 7.95 3.90 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 0.00 125 R 8.01 3.84 0.00 1.99 2.14 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 126 I 7.91 3.78 2.20 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.87 1.11 0.00 0.00 127 Y 8.14 3.70 0.00 2.51 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 0.00 128 Q 8.14 4.05 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.57 0.00 0.00 0.00 0.00 0.00 2.44 2.57 0.00 129 T 7.68 4.53 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 1.23 0.00 0.00 130 D 7.99 4.65 0.00 2.65 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 R 8.09 3.77 0.00 1.70 1.80 0.00 2.88 0.00 0.00 2.71 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 132 E 8.11 3.90 0.00 2.06 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 0.00 2.37 2.37 0.00 133 K 8.28 3.87 0.00 2.01 1.99 0.00 1.75 0.00 0.00 1.61 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.46 7.81 134 Y 8.27 4.18 0.00 3.22 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 N 8.66 4.21 0.00 2.90 2.82 0.00 0.00 6.73 7.44 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 0.00 136 R 8.03 3.80 0.00 1.84 2.05 0.00 3.07 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 137 I 7.78 3.50 1.01 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 1.30 0.54 -0.14 0.00 0.00 138 A 7.82 3.84 0.88 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 0.00 139 R 7.96 4.10 0.00 1.99 1.98 0.00 3.12 0.00 0.00 3.23 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 140 E 8.27 3.98 0.00 2.29 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 0.00 2.33 2.60 0.00 141 W 8.78 4.27 0.00 3.52 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 0.00 142 T 8.37 4.20 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 1.47 0.00 0.00 143 Q 8.07 3.97 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.96 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 144 K 7.99 3.82 0.00 1.45 1.32 0.00 1.39 0.00 0.00 0.96 0.00 0.00 2.42 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.30 0.90 7.81 145 Y 8.08 4.79 0.00 3.19 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 A 8.15 4.53 0.73 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 0.00 147 M 7.86 4.30 0.00 1.94 1.88 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.62 0.00