NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4721 8.2893 120.3268 55.8268 32.0963 174.0767 2 D 4.6085 8.4610 121.0429 52.3861 39.9025 175.0493 3 K 4.7265 7.9887 118.2343 55.0291 36.4129 176.7332 4 V 4.0672 8.1354 122.1042 61.7336 33.2028 174.4542 5 Y 4.6516 8.5618 126.9235 56.2218 37.7586 175.2629 6 L 4.1789 7.7410 124.9878 54.8085 42.5668 177.2584 7 T 4.4362 8.5599 113.3926 60.1099 71.1498 175.9348 8 W 4.3307 8.8541 121.4332 59.6165 29.0728 178.5653 9 W 5.0365 8.5610 128.0600 60.4248 30.2425 178.1207 10 Q 3.9558 8.3744 118.4615 58.8249 28.2220 178.6065 11 V 3.8520 8.1296 119.3499 66.2263 31.6029 177.8514 12 D 4.6289 8.9111 119.1256 57.6184 40.7607 179.0075 13 R 3.9550 7.8964 118.2381 58.6708 29.8586 178.9237 14 A 3.8561 8.1806 120.8329 55.1473 18.4301 179.6002 15 I 3.5966 7.8200 118.2047 64.7452 37.1373 178.6332 16 F 4.0920 8.1283 118.2083 60.4049 38.2568 177.6750 17 A 3.9720 8.1425 120.3021 55.2028 18.2154 179.5944 18 L 3.8302 8.1825 117.6217 57.8796 41.8144 179.5262 19 A 3.9196 8.3521 121.0313 55.3369 18.0676 179.3653 20 E 3.9377 7.8086 116.2492 59.2412 29.8265 178.8777 21 K 4.1408 7.7122 118.2214 59.1916 32.2090 179.2423 22 L 3.8677 8.0494 119.2218 57.1097 41.2582 179.4808 23 R 4.0426 7.6314 117.0055 58.7350 29.9979 178.2429 24 E 4.1885 7.8143 117.9564 58.8085 29.5553 177.9679 25 Y 4.4421 7.8755 118.6708 58.1892 40.5480 174.4005 26 K 3.6548 7.9440 117.2991 56.2872 29.0553 173.8528 27 P 4.2033 0.0000 0.0000 62.6443 32.4402 176.7599 28 D 4.7399 8.6798 122.5985 56.1566 41.5121 177.0518 29 V 4.5832 7.5213 115.8114 60.3091 35.3213 173.5788 30 I 4.8220 8.4297 122.0946 59.6446 40.5033 174.6071 31 I 4.7216 8.6086 127.6206 59.6291 39.3365 174.7743 32 G 4.0976 8.9015 115.8817 44.9959 0.0000 172.3468 33 V 4.7181 8.3644 125.6532 61.1637 32.1930 175.1051 34 A 4.2029 8.1722 130.2553 53.1425 18.7486 177.6238 35 R 4.3287 8.7927 118.2091 58.4504 31.3049 179.3872 36 G 4.3757 7.7360 106.3333 47.2558 0.0000 175.4762 37 G 4.0111 7.8796 108.2334 46.8682 0.0000 175.5506 38 L 3.8940 7.8984 121.5489 57.8808 41.5960 179.0009 39 I 3.4901 6.6764 118.7059 64.5579 36.8974 176.6193 40 P 4.2798 0.0000 0.0000 65.1892 31.2629 178.6980 41 A 3.9122 7.7155 119.7303 55.0702 18.4111 179.7298 42 V 3.4996 8.3259 117.0505 66.2174 31.5358 178.2665 43 R 3.8885 7.7035 117.1319 59.5192 29.9143 179.1729 44 L 3.8886 8.1061 118.6367 57.4659 41.3816 179.5219 45 S 4.0215 7.9974 113.2957 61.7321 62.2736 176.0121 46 H 4.8958 7.9600 119.6710 58.7209 28.3371 177.6586 47 I 3.7397 7.6844 120.3495 64.0826 37.2350 177.1542 48 L 4.5906 8.0752 118.6651 54.6038 42.9911 176.4755 49 G 3.6466 8.2671 102.4289 48.0897 0.0000 174.1011 50 D 4.5843 7.9028 113.9589 53.5566 38.9773 173.6925 51 I 4.5110 7.1447 110.9183 59.1604 39.9867 175.5840 52 P 4.2627 0.0000 0.0000 63.1560 32.5395 174.6422 53 L 5.1931 8.4003 123.9063 53.2271 44.8741 175.4274 54 K 4.6562 8.8675 125.1970 54.5551 35.3388 175.0521 55 V 4.6153 8.3811 124.2976 61.3166 33.0011 174.4703 56 I 4.6994 8.6515 128.2817 59.1485 40.9902 173.2740 57 D 5.0825 8.9541 129.0391 52.4915 43.5336 174.4794 58 V 4.6922 8.5461 125.9526 60.9614 33.4990 174.4227 59 K 4.8942 9.0504 129.0860 54.6524 35.4328 174.6459 60 F 4.9068 8.8739 123.6846 55.6593 40.7783 175.1357 *70 K 4.1523 7.8505 123.5662 55.6028 34.2342 173.8130 71 P 3.4210 0.0000 0.0000 63.1305 31.5267 175.9597 72 V 4.2342 8.6915 124.3797 60.7539 34.3320 174.6253 73 I 4.4130 8.3565 128.9788 61.0314 36.3299 175.8971 74 T 4.0971 8.6341 125.5649 65.9618 69.3951 175.4358 75 I 4.6043 7.5363 122.2583 59.2351 40.9858 172.6937 76 P 5.0709 0.0000 0.0000 61.5987 33.0488 175.2225 77 I 4.3294 8.1274 114.9520 59.5986 39.1128 174.6889 78 H 4.7118 8.8676 121.0262 54.1383 31.5865 174.3270 79 G 4.0491 8.8328 105.3936 45.7266 0.0000 172.2333 80 D 4.9179 8.2516 117.8628 51.5692 41.1924 176.5425 81 L 4.5608 8.1825 123.5939 54.5928 41.9671 176.3775 82 K 4.8339 7.5725 120.1339 57.3058 32.1812 176.1421 83 D 4.4232 8.8263 126.8516 55.5626 37.9268 173.9771 84 K 4.6585 7.7251 117.4042 54.4027 35.9928 176.4029 85 R 4.2559 9.1774 125.8152 56.3583 30.8601 176.1589 86 V 4.9881 9.0657 125.0470 61.1195 34.7396 174.8067 87 V 4.9529 8.2223 124.4333 60.1521 34.4038 174.2510 88 I 4.7030 9.3067 127.5333 60.0617 38.8957 174.8013 89 V 4.8186 8.7681 127.9389 61.2923 33.4648 174.0090 90 D 5.1344 8.6998 126.3690 52.4786 45.0747 175.8887 91 D 4.5467 8.7354 121.9341 56.0313 40.6540 176.6390 92 V 4.9166 7.5064 116.8940 60.0249 34.6814 174.8117 93 S 4.2012 8.6544 119.7826 57.3147 61.8619 173.7733 94 D 4.4435 8.7215 125.9120 55.0869 42.0781 177.9007 95 T 4.3649 7.8241 108.1883 61.5109 70.5944 176.3969 96 G 3.9732 8.4038 109.5012 44.9663 0.0000 174.9397 97 K 3.8347 8.0399 120.7085 60.1175 32.0815 178.6092 98 T 4.1637 7.7653 115.0196 66.8482 68.4576 176.4879 99 L 4.0574 8.0033 120.3011 57.9423 41.4635 179.3636 100 E 3.9816 8.5557 118.7881 59.3415 28.9584 179.4841 101 V 3.6335 7.7408 118.4946 66.0305 31.4388 178.3265 102 V 3.6458 7.9701 118.0627 65.9629 31.2808 178.0348 103 I 3.7533 8.1198 119.8918 64.7823 36.7849 177.5683 104 E 3.9904 8.0961 119.7604 58.9904 29.0442 178.7884 105 E 3.9189 7.9945 119.9383 59.8392 29.5928 179.7280 106 V 3.8074 7.6297 118.1525 65.6410 31.5607 178.2527 107 K 4.0656 7.8704 118.0592 59.1385 31.7101 179.4483 108 K 3.8285 8.3320 118.4258 58.6637 32.0291 177.6462 109 L 4.3959 7.5693 117.4704 53.5109 42.1580 175.7797 110 G 4.0885 8.4770 109.0579 46.3142 0.0000 171.5251 111 A 5.4462 7.7040 122.5248 50.6738 20.1200 177.6569 112 K 4.0397 7.8894 125.0649 59.9045 32.7464 176.2819 113 E 4.8911 7.8394 117.2841 55.4183 33.1780 174.1378 114 I 5.1717 8.3370 123.8904 59.6487 40.8377 174.5199 115 K 4.7811 9.3312 127.5220 54.5612 36.2391 174.5878 116 I 5.1537 8.9749 124.2563 59.4451 41.1655 174.4289 117 A 5.4428 9.2707 127.6796 50.5843 22.2117 174.7975 118 C 5.9938 9.2265 119.0978 57.0839 33.0148 175.5188 119 L 4.2252 8.8301 119.3340 57.5280 42.7024 176.7447 120 A 5.9400 8.3685 118.5678 49.5673 23.0764 174.2913 121 M 4.6090 8.0153 111.9935 54.6575 34.0392 174.3064 122 K 4.1797 7.9935 120.8976 53.2831 34.3472 175.6610 123 P 4.0091 0.0000 0.0000 65.5331 31.1968 177.7493 124 W 4.5109 7.0107 111.2467 57.0184 28.8150 176.3102 125 T 4.3351 7.3549 113.7376 62.2137 67.0332 173.4191 126 S 4.5606 8.6833 120.8759 58.3113 63.4245 174.9393 127 V 4.1533 7.4716 120.7958 61.0669 31.8706 173.5504 128 V 3.6066 8.0290 125.3062 61.2739 31.9143 174.3953 129 P 4.4730 0.0000 0.0000 62.6688 31.8941 176.2030 130 D 4.3788 8.4822 120.9273 57.0135 41.5249 176.8400 131 Y 4.9246 7.8565 115.7781 56.4183 41.9871 174.2582 132 Y 5.8635 8.3366 120.7127 56.2927 41.2345 173.6561 133 V 3.8786 8.6275 115.8000 64.1132 33.4085 175.1470 134 F 4.9312 8.4745 119.7262 56.1945 40.9386 174.3858 135 R 5.1071 8.4756 122.1991 54.0014 32.2552 174.2142 136 T 4.5399 8.0873 118.7358 61.7705 70.7746 173.1165 137 E 4.2839 8.7357 121.4367 55.8660 31.3973 176.6358 138 K 4.5392 7.4843 118.0879 54.9252 33.9102 176.2526 139 W 4.3226 8.6357 131.6850 57.4339 31.9423 174.6646 140 I 4.0741 7.1470 127.8444 59.8640 37.9004 175.1724 141 V 4.0757 7.8389 128.3010 61.0314 32.6872 175.5814 142 F 3.7727 8.6909 127.4727 55.8354 39.4132 175.0306 143 P 3.8317 0.0000 0.0000 65.1403 30.8217 177.5755 144 W 4.8207 6.9617 111.8303 56.7237 28.8000 175.8476 145 E 4.5871 7.4722 119.0755 55.4093 30.4396 175.4425 146 E 4.2829 8.4209 120.3455 55.3037 31.3202 175.5281 147 F 5.3383 8.0151 118.3409 55.4268 41.1379 174.5170 148 P 4.6319 0.0000 0.0000 62.2392 32.1031 175.8262 149 V 4.4353 8.1027 119.1405 61.1284 33.8667 174.8873 150 I 4.3265 8.2593 126.4537 59.8117 38.2413 174.8657 151 E 4.7821 8.5217 125.1681 54.5316 32.5417 176.2747 152 K 4.1847 8.4402 117.9457 57.0286 32.3879 176.6067 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 8.29 4.47 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 2 D 8.46 4.61 0.00 2.86 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 3 K 7.99 4.73 0.00 1.33 1.51 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.38 7.81 4 V 8.14 4.07 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 0.75 0.00 0.00 0.81 0.00 0.00 5 Y 8.56 4.65 0.00 2.73 2.87 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 6 L 7.74 4.18 0.00 0.93 1.27 0.40 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.56 4.44 4.40 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 1.26 0.00 0.00 8 W 8.85 4.33 0.00 3.61 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 W 8.56 5.04 0.00 3.47 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 10 Q 8.37 3.96 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 11 V 8.13 3.85 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 1.38 0.00 0.00 0.99 0.00 0.00 12 D 8.91 4.63 0.00 3.48 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 7.90 3.95 0.00 1.58 1.69 0.00 2.67 0.00 0.00 2.39 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.50 0.00 14 A 8.18 3.86 1.47 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 15 I 7.82 3.60 1.93 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 1.54 0.78 0.70 0.00 0.00 16 F 8.13 4.09 0.00 3.09 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 17 A 8.14 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 18 L 8.18 3.83 0.00 1.79 1.64 0.93 0.97 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 19 A 8.35 3.92 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 20 E 7.81 3.94 0.00 1.96 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 21 K 7.71 4.14 0.00 1.87 1.50 0.00 1.61 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.59 1.66 7.81 22 L 8.05 3.87 0.00 1.67 1.65 0.82 0.42 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 23 R 7.63 4.04 0.00 1.98 2.00 0.00 3.32 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.91 0.00 24 E 7.81 4.19 0.00 2.06 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 2.37 2.56 0.00 25 Y 7.88 4.44 0.00 2.91 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 26 K 7.94 3.65 0.00 1.82 1.77 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.32 1.49 7.81 27 P 0.00 4.20 0.00 2.02 2.03 0.00 3.62 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 2.09 2.37 0.00 28 D 8.68 4.74 0.00 2.47 2.67 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 29 V 7.52 4.58 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.93 0.00 0.00 30 I 8.43 4.82 1.85 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 0.90 0.00 0.00 31 I 8.61 4.72 1.89 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 1.17 0.84 0.91 0.00 0.00 32 G 8.90 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 33 V 8.36 4.72 2.24 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 0.95 0.00 0.00 0.94 0.00 0.00 34 A 8.17 4.20 1.22 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 0.00 0.00 35 R 8.79 4.33 0.00 1.95 1.97 0.00 3.26 0.00 0.00 3.40 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 36 G 7.74 4.38 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 0.00 37 G 7.88 4.01 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 0.00 0.00 0.00 38 L 7.90 3.89 0.00 1.50 1.62 0.86 0.72 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 39 I 6.68 3.49 0.91 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 -0.36 1.00 0.00 0.00 40 P 0.00 4.28 0.00 2.12 2.11 0.00 3.60 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 41 A 7.72 3.91 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 42 V 8.33 3.50 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.91 0.00 0.00 43 R 7.70 3.89 0.00 1.97 1.86 0.00 3.39 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 44 L 8.11 3.89 0.00 1.77 1.67 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.00 4.02 0.00 3.99 4.01 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 46 H 7.96 4.90 0.00 3.40 3.33 0.00 5.90 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 7.68 3.74 1.83 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.47 0.87 0.00 0.00 48 L 8.08 4.59 0.00 1.65 1.65 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 49 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 50 D 7.90 4.58 0.00 2.80 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 51 I 7.14 4.51 1.84 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 1.31 0.52 0.96 0.00 0.00 52 P 0.00 4.26 0.00 2.07 2.03 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 53 L 8.40 5.19 0.00 1.54 1.46 0.92 0.51 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 54 K 8.87 4.66 0.00 1.73 1.65 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.33 7.81 55 V 8.38 4.62 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 0.74 0.00 0.00 0.91 0.00 0.00 56 I 8.65 4.70 1.87 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 1.12 1.48 0.94 0.00 0.00 57 D 8.95 5.08 0.00 2.78 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.55 4.69 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 0.78 0.00 0.00 0.95 0.00 0.00 59 K 9.05 4.89 0.00 1.85 1.58 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.46 7.81 60 F 8.87 4.91 0.00 3.03 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 *70 K 7.85 4.15 0.00 1.83 1.93 0.00 1.96 0.00 0.00 1.87 0.00 0.00 3.09 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.46 7.81 71 P 0.00 3.42 0.00 1.89 1.44 0.00 3.64 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 1.90 1.92 0.00 72 V 8.69 4.23 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 1.02 0.00 0.00 0.95 0.00 0.00 73 I 8.36 4.41 1.83 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 1.30 0.59 0.88 0.00 0.00 74 T 8.63 4.10 4.37 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 1.22 0.00 0.00 75 I 7.54 4.60 1.96 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 1.40 0.97 0.96 0.00 0.00 76 P 0.00 5.07 0.00 2.00 2.03 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 2.04 2.02 0.00 77 I 8.13 4.33 1.86 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 1.38 0.63 0.94 0.00 0.00 78 H 8.87 4.71 0.00 3.11 3.27 0.00 5.89 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 79 G 8.83 4.05 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 0.00 0.00 0.00 80 D 8.25 4.92 0.00 2.85 2.79 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 81 L 8.18 4.56 0.00 1.70 1.71 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 82 K 7.57 4.83 0.00 1.81 1.79 0.00 1.67 0.00 0.00 1.56 0.00 0.00 3.09 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.42 7.81 83 D 8.83 4.42 0.00 2.86 2.74 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 84 K 7.73 4.66 0.00 1.73 1.66 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.60 7.81 85 R 9.18 4.26 0.00 1.54 1.24 0.00 2.64 0.00 0.00 3.01 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.47 0.00 86 V 9.07 4.99 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 1.11 0.00 0.00 1.01 0.00 0.00 87 V 8.22 4.95 2.36 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 0.83 0.00 0.00 0.99 0.00 0.00 88 I 9.31 4.70 1.90 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 1.14 0.77 0.97 0.00 0.00 89 V 8.77 4.82 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 0.94 0.00 0.00 0.93 0.00 0.00 90 D 8.70 5.13 0.00 2.82 2.43 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 91 D 8.74 4.55 0.00 2.08 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 92 V 7.51 4.92 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.82 0.00 0.00 93 S 8.65 4.20 0.00 3.90 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 94 D 8.72 4.44 0.00 2.76 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.82 4.36 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 1.33 0.00 0.00 96 G 8.40 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.04 3.83 0.00 1.72 1.45 0.00 1.39 0.00 0.00 1.04 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.45 7.81 98 T 7.77 4.16 4.30 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 1.34 0.00 0.00 99 L 8.00 4.06 0.00 1.82 1.74 0.92 0.97 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 0.00 100 E 8.56 3.98 0.00 2.31 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 2.35 2.42 0.00 101 V 7.74 3.63 2.38 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 0.98 0.00 0.00 1.16 0.00 0.00 102 V 7.97 3.65 2.24 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 0.99 0.00 0.00 1.00 0.00 0.00 103 I 8.12 3.75 2.04 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 1.54 1.47 0.92 0.00 0.00 104 E 8.10 3.99 0.00 2.15 1.93 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 2.58 2.51 0.00 105 E 7.99 3.92 0.00 1.94 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 2.54 2.48 0.00 106 V 7.63 3.81 2.24 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 1.06 0.00 0.00 1.04 0.00 0.00 107 K 7.87 4.07 0.00 1.96 1.84 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.62 7.81 108 K 8.33 3.83 0.00 1.86 1.88 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.65 7.81 109 L 7.57 4.40 0.00 1.84 1.66 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.48 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 0.00 0.00 0.00 111 A 7.70 5.45 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 0.00 112 K 7.89 4.04 0.00 1.87 1.94 0.00 1.85 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.42 7.81 113 E 7.84 4.89 0.00 2.14 1.93 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 2.42 2.41 0.00 114 I 8.34 5.17 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.83 0.94 0.00 0.00 115 K 9.33 4.78 0.00 1.31 1.46 0.00 1.21 0.00 0.00 0.83 0.00 0.00 2.65 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.02 1.22 7.81 116 I 8.97 5.15 1.87 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 1.18 0.79 0.99 0.00 0.00 117 A 9.27 5.44 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 0.00 118 C 9.23 5.99 0.00 2.90 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 0.00 119 L 8.83 4.23 0.00 2.12 2.10 1.24 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.37 5.94 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 0.00 121 M 8.02 4.61 0.00 1.44 1.62 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.81 0.00 122 K 7.99 4.18 0.00 0.86 0.74 0.00 2.00 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.16 0.95 7.81 123 P 0.00 4.01 0.00 1.92 2.07 0.00 2.35 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 1.79 1.89 0.00 124 W 7.01 4.51 0.00 3.34 3.39 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 0.00 125 T 7.35 4.34 4.37 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 1.18 0.00 0.00 126 S 8.68 4.56 0.00 4.01 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 0.00 127 V 7.47 4.15 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 0.77 0.00 0.00 0.98 0.00 0.00 128 V 8.03 3.61 2.03 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 0.82 0.00 0.00 0.86 0.00 0.00 129 P 0.00 4.47 0.00 2.19 2.02 0.00 3.34 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.03 0.00 130 D 8.48 4.38 0.00 2.44 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 0.00 0.00 0.00 131 Y 7.86 4.92 0.00 2.86 2.74 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 0.00 132 Y 8.34 5.86 0.00 2.88 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 V 8.63 3.88 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 -0.18 0.00 0.00 0.71 0.00 0.00 134 F 8.47 4.93 0.00 3.06 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 0.00 135 R 8.48 5.11 0.00 1.98 1.84 0.00 3.17 0.00 0.00 2.25 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.42 0.00 136 T 8.09 4.54 4.17 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 1.08 0.00 0.00 137 E 8.74 4.28 0.00 2.02 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 0.00 2.06 2.22 0.00 138 K 7.48 4.54 0.00 1.57 1.92 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.39 7.81 139 W 8.64 4.32 0.00 3.43 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 0.00 140 I 7.15 4.07 1.05 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 0.80 0.29 -0.41 0.00 0.00 141 V 7.84 4.08 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.49 0.00 0.00 142 F 8.69 3.77 0.00 1.59 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 0.00 143 P 0.00 3.83 0.00 0.49 0.66 0.00 2.56 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.73 0.00 144 W 6.96 4.82 0.00 3.55 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 0.00 145 E 7.47 4.59 0.00 2.04 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 2.43 1.94 0.00 146 E 8.42 4.28 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 2.27 2.34 0.00 147 F 8.02 5.34 0.00 3.08 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 P 0.00 4.63 0.00 2.08 2.00 0.00 3.75 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 149 V 8.10 4.44 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 0.86 0.00 0.00 0.99 0.00 0.00 150 I 8.26 4.33 1.87 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 1.41 0.61 0.91 0.00 0.00 151 E 8.52 4.78 0.00 1.92 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 2.21 2.30 0.00 152 K 8.44 4.18 0.00 1.73 1.70 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.41 7.81 * Residues marked with a * may have inaccurate shift predictions.