NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3110 8.4045 118.1912 54.8582 32.5089 175.1108 2 K 4.3556 8.4637 122.2814 52.4467 33.7339 174.3102 3 R 4.8717 9.0834 124.2358 53.3922 34.0128 175.7265 4 L 4.3065 8.5902 120.4795 56.0293 42.1508 176.6140 5 E 4.7726 7.6601 117.8889 53.6775 32.8631 174.8905 6 T 4.4562 8.2375 115.1615 60.4674 71.3328 175.5233 7 L 3.3341 7.8467 123.7917 58.1236 42.0956 179.0408 8 E 3.8881 7.9769 118.0508 59.4759 29.4310 179.2322 9 S 4.0871 8.2832 113.1513 61.4305 62.4264 176.1272 10 I 3.8643 7.8379 122.5002 64.5357 36.8824 178.4001 11 L 3.8577 8.3399 120.0157 57.7829 41.4336 179.4593 12 E 3.9999 8.2605 118.4801 59.4655 29.3806 179.6446 13 R 4.0349 8.1813 118.0997 59.0660 30.0728 178.7915 14 L 3.9224 8.1848 120.3970 58.3980 42.0964 179.2392 15 R 3.9096 8.4383 118.2804 59.4910 29.8494 178.8161 16 M 4.0984 8.2311 118.0239 58.7762 32.2689 178.5321 17 S 4.2722 8.4774 115.4536 61.4963 62.9080 176.7863 18 I 3.7190 8.4107 125.3768 64.9843 37.0462 179.2637 19 K 3.9828 8.1362 124.5044 59.5976 31.2935 180.6911 20 K 4.1365 8.2033 120.3201 59.2646 32.2565 177.8266 21 N 4.7436 8.1852 113.3544 52.1167 39.1726 175.0372 22 G 3.9364 7.6971 108.0849 46.4034 0.0000 174.2436 23 L 4.1499 7.9640 118.4209 53.8626 42.5212 177.3012 24 K 4.3276 8.1068 120.8147 55.5352 34.2502 175.3729 25 N 4.1956 8.4269 113.3093 54.3924 35.8065 177.0782 26 S 4.0532 8.2449 115.7630 61.7926 63.0038 175.9425 27 K 3.8288 7.9709 121.4135 59.9033 31.8880 178.7153 28 Q 4.0322 7.9524 117.5525 58.6535 28.8649 178.5226 29 R 3.9015 7.7318 119.2069 59.3819 30.0689 178.9045 30 E 3.9194 8.2981 118.3228 59.3103 29.3905 179.3138 31 E 3.9010 8.0874 118.5988 59.3755 29.5669 179.4475 32 V 3.5434 7.9098 118.3930 66.1465 31.5884 178.2462 33 V 3.6203 7.6309 117.4226 66.0826 31.3428 178.2396 34 S 4.1541 8.3200 115.1782 61.3632 62.6229 176.6455 35 V 3.6198 8.2096 121.4136 66.2237 31.1547 178.1756 36 L 4.0556 7.9502 118.5978 57.7952 41.0777 178.8779 37 Y 3.9168 8.2016 119.5916 60.8635 38.5650 178.3827 38 R 4.2094 8.1395 117.5828 58.9327 30.4549 178.7863 39 S 4.3050 8.1162 115.1383 59.4933 62.7768 177.3494 40 G 3.9310 7.7337 107.5821 46.4089 0.0000 173.6242 41 T 4.4302 7.3644 115.4454 62.6351 70.6120 174.2290 42 H 4.9519 8.7089 120.2724 55.0745 29.5572 174.8986 43 L 5.1426 8.7507 124.0578 52.7554 44.7749 176.7965 44 S 4.9620 9.3477 117.2796 57.0500 64.4409 173.3783 45 P 4.0670 0.0000 0.0000 66.1136 30.8554 178.8078 46 E 3.9726 8.1220 116.6445 59.5209 29.6139 179.0870 47 E 4.0212 8.0835 117.9635 58.9372 29.4787 179.4788 48 I 3.8103 7.8640 120.3969 64.4646 37.2866 178.3338 49 T 3.8267 8.1157 116.9295 66.8365 68.4291 175.9833 50 H 4.0522 8.4001 120.1984 59.4063 29.6270 177.2203 51 S 4.2161 7.7540 113.4710 61.0777 62.5093 175.4614 52 I 4.0908 7.8282 114.0768 62.0368 37.8314 177.7221 53 R 4.0200 7.9299 121.5300 59.4604 29.6897 177.9024 54 Q 4.0132 7.3878 116.0886 58.4194 28.7212 178.3975 55 K 4.6134 7.5620 117.6449 56.0693 33.3255 176.0722 56 D 4.4210 7.7466 119.4668 52.7956 42.8006 175.6662 57 K 4.1815 8.5876 126.6774 58.8926 32.8824 177.7704 58 N 4.5072 8.3146 116.6216 55.0288 38.6747 175.5385 59 T 3.9842 7.5281 116.7549 63.4355 69.1939 174.3656 60 S 4.8721 8.2786 120.5425 56.1830 67.2393 175.0434 61 I 3.7309 8.2297 122.2350 64.2394 37.7420 178.3954 62 S 4.2976 8.1444 115.9063 61.7454 62.7115 176.6410 63 S 4.1795 7.9632 118.0474 61.4642 62.4784 176.8568 64 V 3.5348 7.7513 120.8115 66.1638 31.1459 177.6877 65 Y 3.9665 8.2165 116.6230 61.1963 37.7303 178.7844 66 R 4.0083 8.0328 118.5976 59.2253 30.1205 179.3274 67 I 3.8134 7.6857 119.5889 64.5000 37.2364 178.5036 68 L 4.0076 8.4970 120.3933 57.6635 41.1941 179.4485 69 N 4.4981 8.6089 116.9548 56.0563 38.5445 177.1181 70 F 4.2651 8.2780 122.0408 61.5430 39.4764 177.2491 71 L 4.0405 8.5940 118.8637 57.6846 41.5322 179.1415 72 E 4.2260 8.7790 122.2223 59.9550 29.4037 179.7202 73 K 4.0688 8.1827 122.9567 59.4375 31.8387 179.8217 74 E 4.2770 7.7163 116.5347 55.4636 29.4025 176.3887 75 N 4.2307 7.4551 114.5010 54.2574 36.9260 175.4655 76 F 4.6668 8.1158 120.7952 59.7433 39.9582 175.4036 77 I 5.2683 7.9622 111.9258 59.7908 41.1357 175.5637 78 S 5.0620 9.3378 121.2421 56.9157 65.4838 173.9534 79 V 4.4140 8.3311 122.5903 59.2762 33.5646 174.6852 80 L 4.5409 8.8149 126.0859 53.2133 44.5101 175.1694 81 E 4.6828 8.8395 126.8046 55.9846 29.3780 176.2649 82 T 4.5871 8.7684 115.3142 62.6255 70.0215 174.8507 83 S 4.3789 7.6150 120.1711 58.2525 65.8214 174.9636 84 K 4.1366 8.8283 121.9194 58.0223 31.7070 174.0191 85 S 4.5676 7.8470 109.4986 57.6997 64.5540 173.7338 86 G 4.1488 8.4362 107.1158 46.0279 0.0000 172.6587 87 R 5.2912 8.5639 120.8007 54.7470 32.8850 174.4456 88 R 5.0058 8.9265 118.6559 54.9036 35.1557 173.6946 89 Y 5.4497 9.1499 118.1123 56.4911 42.2619 174.5069 90 E 5.0317 9.0399 119.0076 54.4322 33.8399 174.2365 91 I 4.1362 8.3374 120.5255 61.4007 38.0650 175.8368 92 A 4.2010 8.8324 130.2126 53.5771 19.0748 178.0657 93 A 4.3549 7.6392 120.3007 52.1383 17.9663 176.4998 94 K 4.8923 7.3066 119.8690 53.9702 36.0713 177.0127 95 E 4.1006 8.4932 120.3037 56.3440 30.0259 176.7507 96 H 4.1073 8.5569 121.4262 57.3079 30.3451 173.8852 97 H 4.4517 7.5981 119.3162 54.9425 31.4137 171.9692 98 D 4.6128 8.2214 119.6484 52.7280 44.3366 174.6749 99 H 5.3713 8.2685 114.3497 54.4870 32.7501 173.0518 100 I 4.7210 9.1881 124.4891 60.0719 39.0853 174.7316 101 I 4.8947 8.7935 127.8932 59.4275 40.3770 174.3344 102 C 4.8416 9.1395 129.2724 58.9821 31.6915 174.2190 103 L 4.0684 9.1034 127.8840 58.4644 41.4435 178.5997 104 H 4.3666 8.7243 118.1411 58.4382 30.1747 175.5068 105 C 4.3728 8.1041 112.7369 57.9435 30.7458 174.6404 106 G 3.9891 8.3231 108.2929 44.1936 0.0000 173.4296 107 K 3.9119 7.9706 121.1483 57.3071 33.1772 175.0263 108 I 4.9248 8.3830 126.8337 59.5673 39.7445 174.7787 109 I 4.5575 8.8437 127.8670 59.4570 39.7407 174.9442 110 E 4.8841 8.9228 127.0104 56.2690 30.5603 175.9688 111 F 5.0033 8.5411 116.5506 55.9252 41.9932 173.6376 112 A 4.5955 8.5227 121.8103 50.8819 20.7175 174.4140 113 D 4.7371 8.6948 120.9672 53.0980 42.3810 175.3435 114 P 4.2602 0.0000 0.0000 65.8442 31.2540 178.1889 115 E 3.9358 8.1398 117.4210 59.2339 29.6576 178.7511 116 I 3.7061 7.8364 119.4955 64.4063 37.3639 177.9753 117 E 3.9288 8.4325 119.7105 59.6889 29.3613 179.4174 118 N 4.4232 8.4521 116.3572 56.5566 38.5996 177.7317 119 R 4.1389 8.3183 119.7216 59.4059 30.1379 179.1204 120 Q 3.9747 8.2156 117.9157 58.9178 28.6130 178.4261 121 N 4.2997 7.7975 116.7353 56.5800 39.1476 176.6096 122 E 3.9269 8.1544 120.0317 59.4953 29.3908 179.3565 123 V 3.6000 7.7372 116.7655 66.2200 31.7862 177.8356 124 V 3.9297 7.7581 117.5271 66.1569 31.3330 178.1572 125 K 4.0548 8.6875 120.7852 59.7023 31.5833 179.9307 126 K 3.8770 7.6892 122.8500 58.8652 31.4911 181.5570 127 Y 4.6911 7.7894 113.1989 57.4670 38.2369 175.4194 128 Q 3.3837 8.0178 117.8039 56.9370 26.8828 173.4881 129 A 4.6127 7.9840 118.5333 50.5246 21.2943 176.7787 130 K 4.4336 8.1923 120.0839 54.2271 33.8918 175.2924 131 L 4.1597 8.5492 128.7864 55.1413 42.4218 175.8445 132 I 4.1196 8.4261 127.1305 62.9212 37.9705 175.5549 133 S 4.5552 7.5334 110.6573 58.2372 65.2989 172.3463 134 H 4.8058 7.9435 114.3915 54.5862 30.7251 172.3408 135 D 4.6569 8.4822 118.8903 52.6321 42.9442 174.4206 136 M 4.9454 8.4698 126.1347 53.9421 35.4923 173.5316 137 K 4.8959 8.6970 124.2984 55.4772 36.3762 175.2615 138 M 4.6531 8.9001 122.0805 53.6379 34.8094 174.5577 139 F 5.2373 8.8280 122.4628 56.3735 40.7682 175.5008 140 V 4.5828 9.0477 115.8838 59.6293 36.8149 174.1043 141 W 5.3813 8.5212 121.5985 55.2063 30.2434 176.7178 142 C 4.4527 8.8333 119.9638 57.3848 30.4118 174.2997 143 K 3.8839 8.8238 121.6172 60.1386 31.5692 178.8591 144 E 4.1726 8.1100 118.1398 59.5529 29.3124 178.7110 145 C 4.2652 8.0026 114.8316 62.0218 28.3704 175.3354 146 Q 4.2210 7.8043 119.3981 58.4987 28.5938 177.6923 147 E 4.1025 8.0407 119.0495 59.1078 29.5543 176.9483 148 S 4.2317 7.8298 117.2446 58.6549 62.4053 173.5647 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 8.40 4.31 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 2 K 8.46 4.36 0.00 1.85 1.62 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.25 1.09 7.81 3 R 9.08 4.87 0.00 1.77 1.83 0.00 2.54 0.00 0.00 3.01 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.93 0.00 4 L 8.59 4.31 0.00 1.63 1.73 0.95 0.66 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 5 E 7.66 4.77 0.00 1.94 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 2.27 2.35 0.00 6 T 8.24 4.46 4.39 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 1.24 0.00 0.00 7 L 7.85 3.33 0.00 0.27 1.21 0.58 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 8 E 7.98 3.89 0.00 2.05 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 0.00 2.36 2.38 0.00 9 S 8.28 4.09 0.00 3.89 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.84 3.86 1.98 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.83 0.93 0.00 0.00 11 L 8.34 3.86 0.00 1.71 1.64 0.83 0.84 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 12 E 8.26 4.00 0.00 2.14 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 2.53 2.49 0.00 13 R 8.18 4.03 0.00 2.34 2.23 0.00 3.18 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.95 0.00 14 L 8.18 3.92 0.00 1.10 1.63 0.77 0.94 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 15 R 8.44 3.91 0.00 1.99 1.97 0.00 3.16 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 16 M 8.23 4.10 0.00 2.33 2.18 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 2.64 2.66 0.00 17 S 8.48 4.27 0.00 4.43 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 0.00 18 I 8.41 3.72 2.04 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 1.23 0.98 0.88 0.00 0.00 19 K 8.14 3.98 0.00 1.78 1.82 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 20 K 8.20 4.14 0.00 1.83 2.17 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.53 7.81 21 N 8.19 4.74 0.00 2.77 2.86 0.00 0.00 7.03 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 22 G 7.70 3.94 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 0.00 0.00 0.00 23 L 7.96 4.15 0.00 1.42 1.34 0.31 0.85 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 24 K 8.11 4.33 0.00 1.68 1.71 0.00 1.87 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.35 7.81 25 N 8.43 4.20 0.00 2.85 2.85 0.00 0.00 6.79 7.43 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 26 S 8.24 4.05 0.00 3.82 3.90 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 27 K 7.97 3.83 0.00 1.79 1.78 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.52 7.81 28 Q 7.95 4.03 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 29 R 7.73 3.90 0.00 1.91 2.01 0.00 2.97 0.00 0.00 2.83 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 30 E 8.30 3.92 0.00 2.12 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 2.25 2.55 0.00 31 E 8.09 3.90 0.00 2.17 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 0.00 2.40 2.44 0.00 32 V 7.91 3.54 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 0.92 0.00 0.00 0.93 0.00 0.00 33 V 7.63 3.62 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 0.89 0.00 0.00 0.82 0.00 0.00 34 S 8.32 4.15 0.00 4.00 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 35 V 8.21 3.62 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 1.05 0.00 0.00 0.99 0.00 0.00 36 L 7.95 4.06 0.00 1.81 1.75 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 8.20 3.92 0.00 3.26 3.07 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 38 R 8.14 4.21 0.00 2.02 2.03 0.00 3.46 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.84 0.00 39 S 8.12 4.30 0.00 3.86 3.90 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 40 G 7.73 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 41 T 7.36 4.43 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 1.25 0.00 0.00 42 H 8.71 4.95 0.00 3.01 3.29 0.00 5.85 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.75 5.14 0.00 1.65 1.58 0.94 0.53 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 44 S 9.35 4.96 0.00 4.23 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.07 0.00 2.04 1.49 0.00 3.70 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 46 E 8.12 3.97 0.00 2.08 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 2.44 2.51 0.00 47 E 8.08 4.02 0.00 2.29 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 0.00 2.31 2.35 0.00 48 I 7.86 3.81 1.91 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.04 0.84 0.00 0.00 49 T 8.12 3.83 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 50 H 8.40 4.05 0.00 3.24 3.52 0.00 5.59 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 S 7.75 4.22 0.00 4.17 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.83 4.09 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.90 0.92 0.00 0.00 53 R 7.93 4.02 0.00 2.17 1.90 0.00 3.09 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 54 Q 7.39 4.01 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 55 K 7.56 4.61 0.00 1.64 1.83 0.00 1.69 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.39 7.81 56 D 7.75 4.42 0.00 2.66 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.59 4.18 0.00 1.89 1.91 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.40 7.81 58 N 8.31 4.51 0.00 2.86 2.90 0.00 0.00 6.98 6.98 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 59 T 7.53 3.98 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 1.19 0.00 0.00 60 S 8.28 4.87 0.00 4.02 3.94 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 61 I 8.23 3.73 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.44 1.04 0.00 0.00 62 S 8.14 4.30 0.00 3.95 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 63 S 7.96 4.18 0.00 3.97 3.90 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 64 V 7.75 3.53 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 0.82 0.00 0.00 0.94 0.00 0.00 65 Y 8.22 3.97 0.00 3.23 2.97 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 66 R 8.03 4.01 0.00 2.06 2.01 0.00 3.13 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.99 0.00 67 I 7.69 3.81 2.03 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.69 0.92 0.00 0.00 68 L 8.50 4.01 0.00 1.43 1.02 0.32 0.09 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 69 N 8.61 4.50 0.00 3.04 2.97 0.00 0.00 6.57 8.99 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 70 F 8.28 4.27 0.00 3.14 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.59 4.04 0.00 1.85 1.79 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.78 4.23 0.00 2.28 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 0.00 2.37 2.46 0.00 73 K 8.18 4.07 0.00 1.88 1.71 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.35 7.81 74 E 7.72 4.28 0.00 1.54 1.44 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 1.98 1.52 0.00 75 N 7.46 4.23 0.00 2.67 2.79 0.00 0.00 6.94 6.78 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 76 F 8.12 4.67 0.00 3.09 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 77 I 7.96 5.27 2.16 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.86 1.00 0.00 0.00 78 S 9.34 5.06 0.00 3.36 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 79 V 8.33 4.41 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 0.85 0.00 0.00 0.53 0.00 0.00 80 L 8.81 4.54 0.00 1.55 1.51 0.66 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.84 4.68 0.00 2.03 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 2.26 2.27 0.00 82 T 8.77 4.59 4.35 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 1.23 0.00 0.00 83 S 7.62 4.38 0.00 3.96 3.75 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 84 K 8.83 4.14 0.00 1.77 1.73 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.68 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.00 7.81 85 S 7.85 4.57 0.00 3.77 3.85 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 86 G 8.44 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 0.00 0.00 0.00 0.00 87 R 8.56 5.29 0.00 1.52 1.80 0.00 3.26 0.00 0.00 3.37 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.79 0.00 88 R 8.93 5.01 0.00 1.67 1.84 0.00 3.08 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 89 Y 9.15 5.45 0.00 2.80 2.80 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 90 E 9.04 5.03 0.00 1.94 1.87 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 2.22 2.28 0.00 91 I 8.34 4.14 2.03 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.86 0.79 0.00 0.00 92 A 8.83 4.20 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 93 A 7.64 4.35 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 94 K 7.31 4.89 0.00 1.72 1.66 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.22 1.34 7.81 95 E 8.49 4.10 0.00 1.94 1.89 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 2.32 2.30 0.00 96 H 8.56 4.11 0.00 3.04 3.21 0.00 5.96 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 97 H 7.60 4.45 0.00 3.04 3.03 0.00 5.54 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 98 D 8.22 4.61 0.00 1.58 2.42 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 99 H 8.27 5.37 0.00 3.03 3.09 0.00 5.80 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 9.19 4.72 2.04 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.48 0.89 0.00 0.00 101 I 8.79 4.89 1.67 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 1.03 0.68 1.06 0.00 0.00 102 C 9.14 4.84 0.00 3.08 2.97 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 0.00 103 L 9.10 4.07 0.00 1.88 1.91 1.26 1.18 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 0.00 104 H 8.72 4.37 0.00 3.00 3.24 0.00 5.71 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 C 8.10 4.37 0.00 3.08 2.96 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 0.00 106 G 8.32 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 0.00 0.00 0.00 107 K 7.97 3.91 0.00 1.87 1.75 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.53 7.81 108 I 8.38 4.92 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.98 0.72 0.00 0.00 109 I 8.84 4.56 1.91 0.00 0.00 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 1.25 0.70 0.96 0.00 0.00 110 E 8.92 4.88 0.00 1.82 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 111 F 8.54 5.00 0.00 3.14 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 0.00 112 A 8.52 4.60 1.18 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 0.00 0.00 113 D 8.69 4.74 0.00 2.96 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 0.00 114 P 0.00 4.26 0.00 2.21 2.11 0.00 3.69 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 115 E 8.14 3.94 0.00 2.04 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 2.38 2.40 0.00 116 I 7.84 3.71 2.10 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.77 0.98 0.00 0.00 117 E 8.43 3.93 0.00 2.12 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 2.63 2.54 0.00 118 N 8.45 4.42 0.00 2.71 2.86 0.00 0.00 7.10 7.51 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 0.00 119 R 8.32 4.14 0.00 1.89 1.99 0.00 3.14 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 120 Q 8.22 3.97 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 121 N 7.80 4.30 0.00 2.82 2.85 0.00 0.00 7.22 7.53 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 0.00 122 E 8.15 3.93 0.00 2.25 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 2.33 2.44 0.00 123 V 7.74 3.60 2.29 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 0.94 0.00 0.00 1.04 0.00 0.00 124 V 7.76 3.93 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.05 0.00 0.00 125 K 8.69 4.05 0.00 1.95 1.84 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.72 7.81 126 K 7.69 3.88 0.00 1.89 1.74 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.36 7.81 127 Y 7.79 4.69 0.00 3.09 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 0.00 128 Q 8.02 3.38 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 129 A 7.98 4.61 1.28 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 0.00 0.00 130 K 8.19 4.43 0.00 1.69 1.69 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.38 7.81 131 L 8.55 4.16 0.00 1.63 1.58 0.95 1.06 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 0.00 132 I 8.43 4.12 1.86 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 0.97 0.90 0.00 0.00 133 S 7.53 4.56 0.00 3.87 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 0.00 134 H 7.94 4.81 0.00 3.24 3.25 0.00 5.47 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 D 8.48 4.66 0.00 2.57 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 0.00 136 M 8.47 4.95 0.00 2.22 1.93 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.54 0.00 137 K 8.70 4.90 0.00 1.39 1.57 0.00 1.49 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.24 0.99 7.81 138 M 8.90 4.65 0.00 1.86 1.87 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 139 F 8.83 5.24 0.00 2.92 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 0.00 140 V 9.05 4.58 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 0.70 0.00 0.00 1.00 0.00 0.00 141 W 8.52 5.38 0.00 3.25 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 0.00 142 C 8.83 4.45 0.00 3.15 3.12 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 0.00 143 K 8.82 3.88 0.00 1.87 1.89 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.53 1.57 7.81 144 E 8.11 4.17 0.00 2.10 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 0.00 2.40 2.46 0.00 145 C 8.00 4.27 0.00 3.10 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 0.00 146 Q 7.80 4.22 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.98 0.00 0.00 0.00 0.00 0.00 2.61 2.75 0.00 147 E 8.04 4.10 0.00 2.12 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 2.35 2.42 0.00 148 S 7.83 4.23 0.00 3.80 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