NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5263 8.1627 120.3619 55.9770 34.4267 177.1651 2 M 3.9408 8.1854 117.5168 58.0212 32.2640 176.0922 3 D 4.3509 8.4113 117.9461 57.5751 41.7813 177.0907 4 Y 4.1393 7.9415 119.4475 60.7624 38.8693 177.7221 5 L 3.7367 8.3515 120.2685 57.5807 41.3180 179.6189 6 I 3.8200 8.0631 120.2400 64.7502 36.9336 178.6880 7 T 4.0194 7.9025 108.3658 63.9947 68.9614 175.2241 8 Q 4.2791 7.9239 119.2342 54.6322 29.1620 175.4671 9 N 4.1082 7.3575 112.8126 54.2222 36.6720 174.8286 10 G 4.1032 8.6213 99.0680 45.0452 0.0000 174.8686 11 G 3.9041 7.8423 110.5217 47.2963 0.0000 175.2964 12 M 3.9998 8.2450 120.2317 59.1443 31.9922 178.4344 13 V 3.4994 7.5464 111.7106 64.4959 31.6072 178.5529 14 F 4.4064 7.9699 116.7962 60.2203 38.7781 177.7753 15 A 4.0864 8.1154 120.3244 54.9131 18.2624 179.6901 16 V 3.5200 8.1042 117.2090 66.1104 31.5641 178.0441 17 L 4.0220 8.1015 119.8848 57.9456 41.8867 178.7692 18 A 4.0992 8.2481 120.9192 55.5490 18.5028 179.5043 19 M 4.0190 8.1415 116.9373 58.4201 31.9835 178.8818 20 A 4.0042 8.1342 120.8420 55.4388 18.4722 179.7923 21 T 4.0014 8.3778 114.3388 66.8581 68.1802 176.6441 22 A 4.0925 8.1626 122.5635 55.5398 18.3894 179.9177 23 T 3.8008 7.8782 113.7295 66.8486 68.5381 177.1307 24 I 3.4897 8.0074 121.9465 64.5733 37.2122 178.7005 25 F 4.1212 7.7668 118.5532 60.2933 38.7179 178.1318 26 S 4.3148 7.8621 114.0354 61.3837 62.7904 176.8593 27 G 3.5701 8.1357 109.4162 47.4665 0.0000 175.8041 28 I 3.7783 8.1627 122.7293 63.9847 37.1195 178.5995 29 G 3.6607 7.9668 106.4194 48.0209 0.0000 175.9202 30 S 4.5962 8.3361 118.9336 60.7209 62.8708 176.4908 31 A 3.9577 8.2650 123.8411 55.2435 17.9859 179.9282 32 K 4.0211 8.3544 117.1364 59.4563 32.1359 180.0047 33 G 3.5390 8.1828 106.0334 47.8388 0.0000 176.0506 34 V 3.8402 8.5019 121.6208 65.3645 31.4590 178.3293 35 G 3.5655 8.2242 105.5832 48.0708 0.0000 175.2566 36 M 4.0288 8.2766 121.6639 58.6410 32.1873 178.4765 37 T 4.0367 8.0567 116.0088 66.4538 68.5128 177.0007 38 G 3.6503 8.4114 108.0394 47.7778 0.0000 175.5850 39 E 3.9753 8.4429 120.7866 59.2213 29.4911 179.3824 40 A 4.0037 7.9660 120.1276 55.0474 18.4438 179.5887 41 A 3.9662 8.5185 119.6199 55.1180 18.3013 179.7261 42 A 3.9713 8.4827 119.5753 55.2435 18.2446 179.6991 43 A 3.9543 7.7521 118.1923 55.2500 18.7461 179.2524 44 L 4.0597 7.9821 118.8590 58.7049 41.0622 179.3978 45 T 4.1564 8.0463 115.7198 66.3922 68.1037 176.6492 46 T 4.0888 7.6489 111.4601 63.7762 68.7153 175.1075 47 S 4.6172 7.5559 114.6670 58.4814 65.7554 174.3519 48 Q 4.7577 8.3932 119.4226 53.5192 28.6467 174.2590 49 P 4.4627 0.0000 0.0000 64.7924 32.1977 178.9742 50 E 4.1291 8.1743 116.1407 58.2149 29.8875 177.3011 51 K 4.4648 8.0094 119.2957 56.4858 32.5491 177.8976 52 F 4.3248 8.2864 124.0873 61.5471 39.2722 177.3804 53 G 3.4740 8.1501 104.5376 48.0639 0.0000 175.4663 54 Q 3.9674 7.9710 120.0438 58.4121 28.7795 178.4769 55 A 3.9673 7.9785 121.9364 54.9336 18.5081 179.4539 56 L 3.6957 7.7851 119.0918 58.1297 41.8511 179.1795 57 I 3.6238 7.1837 118.2666 64.4418 37.2137 178.0085 58 L 4.0992 7.6574 119.2374 57.9038 41.2199 179.3926 59 Q 3.9374 7.8251 118.4265 59.1090 29.1418 178.0468 60 L 4.1165 7.7412 119.3094 56.8054 41.6967 179.1187 61 L 3.9150 7.5086 119.5599 57.5935 41.9011 177.3007 62 P 4.9329 0.0000 0.0000 62.8977 30.6330 177.8004 63 G 3.8208 8.2019 106.6271 46.0783 0.0000 176.1436 64 T 3.6921 7.3054 111.7845 64.3356 68.7670 176.5971 65 Q 4.1349 8.0179 120.7255 59.1167 28.8265 179.2693 66 G 3.6600 8.3216 106.6118 47.5689 0.0000 175.8247 67 L 4.0119 7.1024 118.0460 57.7994 41.6403 178.9186 68 Y 4.3808 7.8106 116.9974 61.2000 37.7982 179.0877 69 G 4.2906 8.3270 107.8530 47.3719 0.0000 175.3630 70 F 4.1733 8.4534 123.3067 61.0609 39.3176 177.3766 71 V 3.7538 8.3877 117.8662 66.1394 31.4004 178.0101 72 I 3.7806 8.3093 119.3457 64.4197 37.0004 178.1844 73 A 3.9870 8.2491 121.6572 55.2760 18.2578 179.5293 74 F 3.9912 8.2445 119.1544 61.0977 39.1626 177.2080 75 L 3.9299 8.1097 119.7036 57.9582 42.1544 178.7368 76 I 3.5626 7.8292 119.8691 64.1603 36.5475 177.8766 77 F 3.9593 8.0340 121.7204 61.3176 38.9290 176.8115 78 I 3.6440 7.1697 109.5294 62.0617 37.6719 176.0316 79 N 4.7521 7.2159 117.2193 52.9912 38.8096 175.7338 80 L 4.1023 6.9436 119.2031 55.2749 43.0003 176.1615 81 G 4.4491 7.9204 113.9478 45.7139 0.0000 173.1087 82 S 4.1658 7.9485 117.0653 60.7280 63.4142 175.1068 83 D 4.6370 7.9388 118.1620 54.4308 40.9897 175.3377 84 M 4.1419 7.6639 118.7506 55.8393 32.7692 176.1309 85 S 4.3568 8.4931 121.1976 57.9006 65.4963 175.3118 86 V 3.7274 8.2611 121.7767 66.0468 31.2712 178.1512 87 V 3.4936 7.7816 117.5721 66.2016 31.3556 177.6578 88 Q 3.9133 7.9985 118.7275 58.9643 28.8861 178.2436 89 G 3.9575 8.3296 106.7982 48.1630 0.0000 175.6973 90 L 3.9757 8.2640 122.0173 57.2904 41.5385 179.3569 91 N 4.2493 8.2766 116.6833 56.2576 38.5134 177.4355 92 F 4.3210 8.1348 119.2091 60.3707 38.7739 177.4344 93 L 4.1787 8.0319 119.0986 58.2998 42.1327 178.9631 94 G 3.7711 8.4883 105.7187 47.8097 0.0000 175.4703 95 A 4.0928 8.2033 123.2253 54.8220 18.4897 179.6571 96 S 4.2757 8.1357 112.2907 60.8693 63.2537 176.7780 97 L 4.1948 7.7977 123.4475 57.3207 41.3867 177.2490 98 P 4.3711 0.0000 0.0000 65.9178 31.3827 178.5266 99 I 3.8554 8.0570 116.9783 63.7697 37.9058 177.5239 100 A 3.9704 7.9874 121.5026 55.3445 18.2288 179.3429 101 F 4.5918 8.2841 115.4551 59.8268 39.5207 178.6532 102 T 4.2791 8.4880 109.9878 64.5440 68.5753 177.0172 103 G 3.6926 8.4286 108.6635 47.5683 0.0000 175.1924 104 L 4.0000 8.0307 123.3041 58.1143 42.1461 179.1993 105 F 4.2323 8.4279 117.7318 60.3754 38.9357 178.1289 106 S 4.4440 8.7866 114.4197 61.1403 62.8993 176.7835 107 G 3.6503 8.2720 109.4753 47.7476 0.0000 175.7883 108 I 3.7216 7.6293 122.1225 63.9917 37.0358 178.4132 109 A 4.0553 8.1799 121.6241 55.3056 18.2342 179.5099 110 Q 4.0836 8.7632 118.7002 59.2060 29.0441 178.5285 111 G 3.6933 8.2512 106.8873 47.7451 0.0000 175.8426 112 K 4.0060 7.9677 120.3418 59.2496 32.0703 179.6960 113 V 3.6014 7.7160 118.4264 65.8559 31.2554 177.9908 114 A 4.0190 8.2345 119.7488 55.1082 18.4153 179.0914 115 A 4.0737 8.3716 119.3622 55.3278 18.5281 179.7592 116 A 4.1032 8.2027 119.4273 55.1557 18.4317 180.0975 117 G 3.6975 8.2829 104.2598 47.7937 0.0000 175.9573 118 I 3.7929 7.5346 121.9879 64.4880 37.0341 178.4119 119 Q 4.0399 8.0757 118.5265 58.6660 28.3951 178.6682 120 I 3.7332 7.6607 120.6326 64.2905 37.0298 177.8487 121 L 3.8391 7.7020 119.6211 58.1121 41.9268 178.5919 122 A 4.1390 7.9786 119.6754 54.9185 18.4470 178.9766 123 K 4.3520 7.9206 114.8145 57.0325 34.5865 177.5448 124 K 4.7886 8.6644 118.1618 53.6166 32.5375 175.0394 125 P 4.4600 0.0000 0.0000 65.5513 31.7027 179.0778 126 E 4.0670 8.1639 115.1507 58.2747 29.9933 176.8905 127 H 4.7803 8.4994 116.8515 55.5599 29.2461 176.0037 128 A 4.0540 7.8039 125.0441 55.7031 17.9724 180.6524 129 T 3.8022 7.8997 113.7615 66.6507 68.4726 176.6536 130 K 3.7795 8.1797 120.7190 59.2432 32.1071 179.5559 131 G 3.7370 7.8863 106.0520 47.7647 0.0000 175.8187 132 I 3.7370 7.6527 121.6617 64.2359 37.1697 178.4202 133 I 3.6377 7.6714 120.5020 64.3223 36.6822 178.3457 134 F 4.4894 7.6480 117.1445 60.8834 39.0019 177.3955 135 A 4.2133 8.1475 119.5223 55.0486 18.1776 179.5417 136 A 4.0560 8.3733 119.4957 55.3364 18.1626 179.6771 137 M 4.1496 7.8084 116.2169 58.2173 32.1194 178.5268 138 V 4.0753 7.8340 118.1343 65.2800 31.7145 177.4418 139 E 4.0136 8.1507 119.4695 59.4067 29.2588 178.5860 140 T 3.6270 7.8049 115.4600 67.1555 68.5120 175.5623 141 Y 4.1261 7.2431 117.5384 60.5312 37.8332 178.0332 142 A 4.1923 8.0813 121.6640 55.1509 18.5323 179.5703 143 I 3.3701 7.7927 118.3763 64.3769 37.1632 178.6400 144 L 4.0866 8.2073 120.1914 57.7467 41.4537 179.8493 145 G 3.9935 8.0818 106.7273 47.2041 0.0000 175.4539 146 F 4.2342 8.5688 123.5766 61.0350 39.3086 177.3906 147 V 3.3777 8.0981 118.0348 66.0126 31.3474 178.0283 148 I 3.6966 7.7616 119.4811 64.5060 36.8726 178.5013 149 S 4.3872 8.1177 117.2810 60.9122 62.7900 176.4994 150 F 3.7629 8.2869 123.5093 61.3206 38.8770 177.1212 151 L 4.0783 7.9733 117.1647 57.9544 41.5780 179.3329 152 L 4.0928 8.1172 118.9223 57.4760 41.3242 179.7058 153 V 3.6803 8.0231 118.6487 66.0809 31.3231 178.1779 154 L 3.9462 7.4954 116.5744 56.6997 41.4825 177.8439 155 N 4.6437 7.3027 114.5309 53.1028 39.5028 174.2737 156 A 3.8050 7.2317 127.3034 53.0791 18.2409 177.1515 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 8.16 4.53 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.66 0.00 2 M 8.19 3.94 0.00 2.31 2.12 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 2.74 2.79 0.00 3 D 8.41 4.35 0.00 2.80 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 4 Y 7.94 4.14 0.00 3.09 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 5 L 8.35 3.74 0.00 1.94 1.74 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.06 3.82 2.09 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.20 0.92 0.00 0.00 7 T 7.90 4.02 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 1.31 0.00 0.00 8 Q 7.92 4.28 0.00 1.60 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.63 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 9 N 7.36 4.11 0.00 2.78 2.79 0.00 0.00 6.78 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 10 G 8.62 4.10 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 0.00 0.00 0.00 11 G 7.84 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 0.00 0.00 0.00 12 M 8.24 4.00 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.69 0.00 13 V 7.55 3.50 1.81 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 0.74 0.00 0.00 0.21 0.00 0.00 14 F 7.97 4.41 0.00 3.34 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 15 A 8.12 4.09 1.25 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 16 V 8.10 3.52 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 0.99 0.00 0.00 0.94 0.00 0.00 17 L 8.10 4.02 0.00 2.00 1.97 1.01 1.25 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 18 A 8.25 4.10 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 19 M 8.14 4.02 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.74 0.00 20 A 8.13 4.00 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 21 T 8.38 4.00 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 1.42 0.00 0.00 22 A 8.16 4.09 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 23 T 7.88 3.80 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 1.29 0.00 0.00 24 I 8.01 3.49 1.50 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.66 0.16 0.00 0.00 25 F 7.77 4.12 0.00 2.78 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 26 S 7.86 4.31 0.00 4.21 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 27 G 8.14 3.57 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 0.00 28 I 8.16 3.78 1.95 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.62 0.88 0.00 0.00 29 G 7.97 3.66 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 0.00 0.00 0.00 30 S 8.34 4.60 0.00 3.86 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 31 A 8.26 3.96 1.31 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 0.00 0.00 32 K 8.35 4.02 0.00 1.86 1.85 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.57 7.81 33 G 8.18 3.54 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 0.00 34 V 8.50 3.84 2.16 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 1.06 0.00 0.00 0.94 0.00 0.00 35 G 8.22 3.57 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 0.00 36 M 8.28 4.03 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.60 0.00 37 T 8.06 4.04 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 1.18 0.00 0.00 38 G 8.41 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 39 E 8.44 3.98 0.00 2.21 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 2.33 2.51 0.00 40 A 7.97 4.00 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 41 A 8.52 3.97 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 42 A 8.48 3.97 1.42 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 0.00 0.00 43 A 7.75 3.95 1.37 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 0.00 0.00 44 L 7.98 4.06 0.00 1.81 1.87 0.94 0.94 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 45 T 8.05 4.16 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 46 T 7.65 4.09 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 1.31 0.00 0.00 47 S 7.56 4.62 0.00 4.13 3.98 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 48 Q 8.39 4.76 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 49 P 0.00 4.46 0.00 2.19 2.40 0.00 3.76 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 50 E 8.17 4.13 0.00 2.12 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 0.00 2.30 2.29 0.00 51 K 8.01 4.46 0.00 2.06 1.87 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.38 7.81 52 F 8.29 4.32 0.00 3.17 3.10 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 53 G 8.15 3.47 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 0.00 0.00 0.00 54 Q 7.97 3.97 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 55 A 7.98 3.97 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 56 L 7.79 3.70 0.00 1.14 1.46 0.82 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.18 3.62 1.95 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 1.45 0.66 0.86 0.00 0.00 58 L 7.66 4.10 0.00 1.83 1.71 0.92 1.01 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 59 Q 7.83 3.94 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.02 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 60 L 7.74 4.12 0.00 1.86 1.63 0.85 0.30 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 61 L 7.51 3.92 0.00 1.88 1.73 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.93 0.00 2.17 2.23 0.00 3.94 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.04 0.00 63 G 8.20 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 0.00 0.00 0.00 64 T 7.31 3.69 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 1.04 0.00 0.00 65 Q 8.02 4.13 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.93 0.00 0.00 0.00 0.00 0.00 2.76 2.67 0.00 66 G 8.32 3.66 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 0.00 0.00 0.00 67 L 7.10 4.01 0.00 1.58 1.60 0.74 0.61 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 68 Y 7.81 4.38 0.00 3.24 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.33 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 0.00 0.00 0.00 0.00 70 F 8.45 4.17 0.00 3.26 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.39 3.75 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 1.51 0.00 0.00 1.23 0.00 0.00 72 I 8.31 3.78 2.19 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 2.08 1.00 0.99 0.00 0.00 73 A 8.25 3.99 1.37 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 0.00 0.00 74 F 8.24 3.99 0.00 2.74 3.09 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 75 L 8.11 3.93 0.00 1.83 1.83 0.78 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 76 I 7.83 3.56 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.74 0.32 0.00 0.00 77 F 8.03 3.96 0.00 3.00 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 78 I 7.17 3.64 1.68 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 1.50 0.62 0.43 0.00 0.00 79 N 7.22 4.75 0.00 2.89 2.98 0.00 0.00 6.99 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 80 L 6.94 4.10 0.00 1.45 1.39 0.58 0.61 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 81 G 7.92 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 0.00 0.00 0.00 0.00 82 S 7.95 4.17 0.00 3.99 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 83 D 7.94 4.64 0.00 2.64 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 M 7.66 4.14 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.59 0.00 85 S 8.49 4.36 0.00 4.09 3.98 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 86 V 8.26 3.73 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 1.06 0.00 0.00 1.10 0.00 0.00 87 V 7.78 3.49 2.05 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 0.92 0.00 0.00 0.89 0.00 0.00 88 Q 8.00 3.91 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.48 2.25 0.00 89 G 8.33 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.26 3.98 0.00 1.69 1.57 0.65 -0.14 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 91 N 8.28 4.25 0.00 2.67 2.62 0.00 0.00 6.96 7.70 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 92 F 8.13 4.32 0.00 3.37 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 93 L 8.03 4.18 0.00 1.95 1.96 1.10 1.26 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 94 G 8.49 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.20 4.09 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 96 S 8.14 4.28 0.00 4.27 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 97 L 7.80 4.19 0.00 1.86 1.98 0.98 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 4.37 0.00 2.36 2.19 0.00 3.89 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 2.17 2.22 0.00 99 I 8.06 3.86 2.06 0.00 0.00 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 1.83 1.46 1.06 0.00 0.00 100 A 7.99 3.97 1.17 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 0.00 0.00 101 F 8.28 4.59 0.00 3.29 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 0.00 102 T 8.49 4.28 4.56 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 1.41 0.00 0.00 103 G 8.43 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.03 4.00 0.00 2.05 1.88 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 105 F 8.43 4.23 0.00 3.44 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 0.00 106 S 8.79 4.44 0.00 4.23 4.36 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 0.00 107 G 8.27 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 0.00 108 I 7.63 3.72 1.89 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.12 0.94 0.00 0.00 109 A 8.18 4.06 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 0.00 110 Q 8.76 4.08 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 111 G 8.25 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 K 7.97 4.01 0.00 2.01 1.89 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.63 7.81 113 V 7.72 3.60 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 1.01 0.00 0.00 114 A 8.23 4.02 1.37 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 0.00 0.00 115 A 8.37 4.07 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 0.00 116 A 8.20 4.10 1.42 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 0.00 0.00 117 G 8.28 3.70 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 0.00 0.00 0.00 118 I 7.53 3.79 2.08 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 1.73 0.83 0.97 0.00 0.00 119 Q 8.08 4.04 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 120 I 7.66 3.73 2.08 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 1.61 0.98 1.01 0.00 0.00 121 L 7.70 3.84 0.00 1.66 1.96 0.92 1.19 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 0.00 122 A 7.98 4.14 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 0.00 123 K 7.92 4.35 0.00 1.77 1.88 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.62 7.81 124 K 8.66 4.79 0.00 1.73 1.80 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.37 1.51 7.81 125 P 0.00 4.46 0.00 2.21 2.43 0.00 3.71 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 2.08 1.98 0.00 126 E 8.16 4.07 0.00 2.01 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 0.00 1.98 2.16 0.00 127 H 8.50 4.78 0.00 3.29 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 7.80 4.05 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 0.00 129 T 7.90 3.80 4.19 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 1.16 0.00 0.00 130 K 8.18 3.78 0.00 1.87 1.52 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.41 7.81 131 G 7.89 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 I 7.65 3.74 2.00 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 1.61 0.64 0.88 0.00 0.00 133 I 7.67 3.64 1.70 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.16 0.79 0.00 0.00 134 F 7.65 4.49 0.00 3.21 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.15 4.21 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 0.00 0.00 0.00 0.00 0.00 136 A 8.37 4.06 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 M 7.81 4.15 0.00 2.12 2.42 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 3.03 0.00 138 V 7.83 4.08 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 1.18 0.00 0.00 1.04 0.00 0.00 139 E 8.15 4.01 0.00 2.19 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 2.36 2.48 0.00 140 T 7.80 3.63 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 0.75 0.00 0.00 141 Y 7.24 4.13 0.00 3.21 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.08 4.19 1.61 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 0.00 143 I 7.79 3.37 1.92 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 1.27 0.76 0.83 0.00 0.00 144 L 8.21 4.09 0.00 1.74 1.77 0.98 1.03 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 0.00 145 G 8.08 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 0.00 146 F 8.57 4.23 0.00 2.89 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 0.00 147 V 8.10 3.38 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 1.01 0.00 0.00 0.98 0.00 0.00 148 I 7.76 3.70 1.91 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 1.74 0.81 0.93 0.00 0.00 149 S 8.12 4.39 0.00 4.12 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 0.00 150 F 8.29 3.76 0.00 2.62 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 0.00 151 L 7.97 4.08 0.00 1.82 1.74 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 152 L 8.12 4.09 0.00 1.89 1.68 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 153 V 8.02 3.68 2.05 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 1.11 0.00 0.00 1.06 0.00 0.00 154 L 7.50 3.95 0.00 1.76 1.65 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 155 N 7.30 4.64 0.00 2.72 2.72 0.00 0.00 7.13 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 0.00 156 A 7.23 3.80 0.10 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 0.00 0.00