NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3739 8.3044 118.3228 54.4863 31.5319 177.4546 2 Q 4.3697 7.4895 119.3881 54.2800 31.2966 171.6341 3 I 4.1277 8.0403 118.3119 58.2176 41.5839 174.2432 4 F 5.5176 7.2054 117.5437 55.3547 41.2053 174.4199 5 V 5.3079 8.3972 111.2796 58.5762 36.3077 174.7976 6 K 4.8732 8.3312 123.1206 55.0646 35.6885 175.9186 7 T 4.7249 8.2103 116.2734 60.1858 70.6693 174.4986 8 L 4.5242 8.3202 119.8783 55.7151 41.5017 178.1390 9 T 4.4133 7.8705 109.7694 60.6963 70.5275 174.2625 10 G 3.9850 8.6342 109.6146 45.6186 0.0000 173.2157 11 K 3.7577 7.8791 120.9921 57.4990 32.0829 175.2329 12 T 5.0983 8.2244 122.8712 62.0085 71.0282 174.3230 13 I 4.8049 8.1766 117.4315 59.6415 41.2771 173.9377 14 T 4.7273 8.6788 116.3073 60.8940 70.0953 173.6424 15 L 4.6159 9.1806 127.3843 53.0478 45.0098 174.9416 16 E 4.4426 8.9087 128.2966 56.0304 29.5665 175.5973 17 V 4.7285 8.0984 119.1372 59.7879 36.0038 174.3398 18 E 4.7469 8.2434 118.8151 53.8489 31.9542 176.1678 19 P 4.3489 0.0000 0.0000 62.6414 30.3823 177.4630 20 S 4.4173 7.8149 111.7614 59.3669 65.1853 173.7370 21 D 4.4787 7.5517 118.6832 54.9137 41.4020 176.3016 22 T 4.5968 8.0634 111.6745 60.7347 71.6884 175.9233 23 I 3.7434 7.8330 121.1471 64.6284 37.0075 178.7376 24 E 4.0492 8.1624 117.8289 59.3276 29.6144 178.7121 25 N 4.1657 8.0503 117.6131 56.0214 38.5435 177.4347 26 V 3.5471 7.8745 119.5265 66.0539 31.5622 178.0508 27 K 4.2948 8.3451 119.2661 59.0356 31.6030 178.9915 28 A 4.0106 8.7197 121.8383 55.3031 18.3587 179.9130 29 K 4.3953 7.7929 117.7267 58.8150 32.0335 179.6026 30 I 3.6988 7.9042 120.3662 64.6150 37.0929 178.2495 31 Q 4.0090 7.8813 120.1635 58.9327 28.6553 177.8961 32 D 4.3273 7.6056 118.8836 57.2419 40.6992 178.6687 33 K 3.9588 7.6253 117.7792 59.6284 32.4980 178.3103 34 E 4.2946 8.8102 117.5201 56.5667 29.7254 177.8941 35 G 3.8476 7.9202 105.6923 45.4451 0.0000 172.9920 36 I 4.0393 7.4461 120.4500 59.2508 37.5549 174.1462 37 P 4.2720 0.0000 0.0000 62.2435 31.8133 175.3897 38 P 4.4302 0.0000 0.0000 65.8206 31.3599 177.9301 39 D 4.4802 7.9893 114.8987 55.1123 39.9237 176.5899 40 Q 4.4114 8.2981 119.3732 55.7428 29.3757 174.4495 41 Q 5.0718 7.8826 117.8689 54.3201 31.3709 174.4818 42 R 4.8986 9.0094 123.9902 54.4767 33.2126 174.4764 43 L 5.3220 8.3405 122.9739 53.0559 45.6902 175.4608 44 I 5.0908 8.9513 122.9864 59.9131 41.2769 174.2418 45 F 4.8954 9.5047 124.9576 57.6526 43.3460 173.6207 46 A 3.5472 8.4304 124.9365 53.1259 16.0672 177.7709 47 G 3.9168 8.5362 104.6776 47.1147 0.0000 174.2691 48 K 4.6569 8.4083 118.1184 54.1194 36.1754 175.7639 49 Q 4.5400 8.4859 120.5498 56.0702 29.4130 175.5144 50 L 4.4097 8.6634 123.4400 53.0704 43.2671 175.6351 51 E 4.7583 8.4223 119.2179 54.2516 31.9517 175.3730 52 D 4.4677 8.8391 122.9594 56.3045 40.9271 175.6378 53 G 4.2682 8.5667 118.1477 45.0222 0.0000 173.6105 54 R 3.7821 7.8913 116.6576 55.8904 30.8857 177.0606 55 T 4.3125 8.3297 113.1055 61.0551 68.2501 175.4323 56 L 4.1570 8.8296 123.4908 58.0527 40.8695 179.4605 57 S 3.9338 8.0988 115.5769 61.9921 63.2994 174.9561 58 D 4.4729 7.8347 120.0847 57.9870 40.6810 179.2657 59 Y 4.5118 7.2357 113.4386 58.3073 37.4210 176.1578 60 N 4.3020 8.2741 115.4039 54.1465 38.2895 173.9587 61 I 3.4237 7.1173 116.3430 61.5034 37.3615 175.5578 62 Q 4.7137 8.1552 124.6194 53.5651 31.6725 174.9913 63 K 3.9694 8.2914 118.5356 57.8257 32.6896 176.4683 64 E 3.3524 7.9920 121.1180 56.8950 27.6012 174.6160 65 S 4.4486 7.4768 114.2117 58.3369 63.5971 172.9050 66 T 4.7718 8.7974 122.6439 61.6654 67.7298 173.9234 67 L 4.8402 9.2710 129.7371 54.1371 44.5275 175.3920 68 H 5.3233 8.9345 117.7131 54.1415 31.7253 172.7769 69 L 5.1394 8.6477 125.7075 53.3717 44.6977 175.2287 70 V 4.3788 8.6199 124.4962 61.1488 34.9065 173.9735 71 L 4.8025 8.5673 127.9786 54.0793 42.5279 177.2039 72 R 4.2161 8.9186 124.1166 56.1458 30.9849 176.3639 73 L 4.2681 8.4556 118.3157 56.6402 42.5088 177.6445 74 R 4.6002 7.6579 116.0515 55.4305 31.7225 176.7806 75 G 4.0445 8.2456 103.7257 46.1721 0.0000 173.3484 76 G 4.2785 8.6963 113.5000 45.0655 0.0000 173.8446 77 M 4.8394 7.5316 119.6670 53.2988 35.3689 173.9966 78 Q 4.8220 8.4034 122.1304 54.4000 34.0957 173.4586 79 I 5.1565 8.1943 113.9322 59.4860 41.5207 173.6329 80 F 5.3845 9.2485 119.8158 55.7122 43.1489 174.7300 81 V 4.6595 8.7088 120.6077 61.1342 35.0659 173.8117 82 K 5.2151 8.6114 129.0121 55.0507 34.2306 176.1160 83 T 4.5894 8.9339 118.3072 60.2535 70.1877 175.6891 84 L 4.1477 8.4229 121.6731 57.5599 41.6326 178.7693 85 T 4.0720 7.7668 107.2452 62.2952 69.3415 175.5881 86 G 4.0524 8.3519 110.5833 44.7579 0.0000 173.4014 87 K 4.2920 8.0521 121.1323 56.2683 33.6696 175.7109 88 T 5.3003 8.5178 122.6299 61.7491 70.8735 173.4379 89 I 4.6199 9.0497 120.4521 59.2274 40.8376 174.2602 90 T 4.3547 8.4881 120.1089 60.7751 68.2845 173.6090 91 L 4.5504 8.3164 129.0148 53.4595 44.2404 175.5103 92 E 4.6391 8.5321 121.7758 55.3379 30.6708 175.3986 93 V 4.6115 7.8767 118.5203 60.6413 35.7898 174.5792 94 E 4.6704 8.8061 118.1188 54.9170 33.3590 173.0242 95 P 4.1456 0.0000 0.0000 66.3310 31.5708 176.8293 96 S 4.7279 7.8299 118.0456 57.8392 61.5661 170.7275 97 D 4.7361 7.9769 125.1071 53.3046 44.9719 175.2297 98 T 4.4613 8.8374 114.6566 61.2212 69.7504 175.4758 99 I 3.8103 8.0570 121.7225 64.0727 36.7360 178.4504 100 E 4.0687 8.1484 120.2216 59.1718 29.0246 178.3170 101 N 4.3016 8.0646 116.7105 56.1146 38.5681 177.6404 102 V 3.5596 7.7689 119.5764 65.9624 31.8635 178.1161 103 K 4.0763 8.7638 119.7185 58.9371 31.6866 178.5058 104 A 3.9545 8.2602 120.8609 55.8120 17.8699 179.9072 105 K 3.9107 7.9404 115.0891 59.4158 32.1114 179.8442 106 I 3.7623 7.7638 120.3738 64.1253 37.0068 178.1048 107 Q 4.1010 8.0023 120.2476 59.0156 28.6104 177.6902 108 D 4.2855 7.5633 118.1520 58.2153 41.4084 177.8656 109 K 4.1020 7.6817 118.0968 58.9664 32.0093 178.7940 110 E 4.1062 8.2020 122.6171 58.1749 29.8086 177.9859 111 G 4.3934 8.4748 113.5640 45.8838 0.0000 173.5496 112 I 3.4503 7.1630 111.2668 58.6300 38.1033 173.5472 113 P 4.3890 0.0000 0.0000 62.3509 31.4131 175.5466 114 P 4.9653 0.0000 0.0000 62.9464 30.5234 176.5824 115 D 4.7410 8.2984 115.4559 53.9986 41.2582 175.5862 116 Q 4.2815 8.0502 117.7316 56.5647 29.5412 175.3276 117 Q 4.3100 7.7686 118.6330 54.7347 29.9933 174.4284 118 R 4.6110 8.3238 122.4899 54.6925 33.5420 173.5143 119 L 4.9077 8.5302 127.4161 53.6984 43.7027 175.8731 120 I 4.7249 8.6644 126.4148 59.9716 38.5528 174.7354 121 F 4.6742 8.9167 130.8997 56.5981 40.9202 174.9596 122 A 3.6425 9.3434 128.5582 53.0311 15.5176 175.0017 123 G 4.3390 8.0973 113.7833 44.6648 0.0000 172.6690 124 K 4.3729 7.2863 118.3220 55.5149 33.9986 175.4581 125 Q 4.6947 8.3788 121.9930 55.8714 29.8332 175.2578 126 L 4.2956 8.7475 126.0570 54.1068 43.6348 176.1309 127 E 4.6292 9.2580 120.3288 55.7190 32.8002 177.1612 128 D 4.3705 8.9448 125.2340 57.4973 41.4090 178.7469 129 G 3.7625 8.1331 106.8517 48.6187 0.0000 173.9798 130 R 4.0089 7.9428 121.0570 55.5605 30.3436 177.5543 131 T 4.6059 8.1507 112.4195 60.7244 70.7046 175.3187 132 L 3.8742 8.4496 120.5520 58.1116 42.0614 179.7726 133 S 4.1027 7.9185 112.2758 61.4824 62.5832 175.6857 134 D 4.3116 7.5498 118.5956 57.7787 40.4714 177.5303 135 Y 4.2526 7.9886 112.6825 57.9004 38.6497 174.6628 136 N 4.0678 8.2144 118.2624 54.2481 37.0916 172.6387 137 I 4.1971 7.7822 117.9366 59.1972 38.0276 176.2963 138 Q 4.2839 8.4110 124.6926 54.5317 29.6873 176.1264 139 K 4.1172 8.3747 118.9246 57.8198 32.8557 178.0999 140 E 4.1731 9.0590 116.2471 57.2832 28.9160 175.3849 141 S 4.4469 7.9262 113.8778 58.9559 63.8855 172.9709 142 T 5.1016 8.4525 120.4070 61.8439 70.7750 174.1855 143 L 4.5679 9.8948 127.3998 54.5673 43.8983 175.4906 144 H 5.1675 8.5521 115.1832 54.0411 32.6546 172.4649 145 L 5.0852 8.6305 124.7085 53.4904 43.5381 175.4628 146 V 4.7227 8.2551 124.9484 60.3354 35.4706 174.7457 147 L 4.0625 8.4408 123.2388 55.6933 40.7704 177.1332 148 R 4.0857 8.5001 121.0701 56.6252 30.0611 175.8048 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 8.30 4.37 0.00 2.00 2.28 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 2 Q 7.49 4.37 0.00 2.10 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.80 0.00 0.00 0.00 0.00 0.00 2.69 2.34 0.00 3 I 8.04 4.13 1.86 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 1.16 0.66 0.79 0.00 0.00 4 F 7.21 5.52 0.00 2.94 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 0.00 5 V 8.40 5.31 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 1.10 0.00 0.00 0.98 0.00 0.00 6 K 8.33 4.87 0.00 1.78 1.61 0.00 1.71 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.50 7.81 7 T 8.21 4.72 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 8 L 8.32 4.52 0.00 1.64 1.72 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.87 4.41 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 10 G 8.63 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 11 K 7.88 3.76 0.00 1.71 1.75 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.58 7.81 12 T 8.22 5.10 4.16 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 1.13 0.00 0.00 13 I 8.18 4.80 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 1.32 0.87 0.99 0.00 0.00 14 T 8.68 4.73 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 1.45 0.00 0.00 15 L 9.18 4.62 0.00 1.71 1.70 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.91 4.44 0.00 1.99 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 2.28 2.38 0.00 17 V 8.10 4.73 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 0.75 0.00 0.00 0.86 0.00 0.00 18 E 8.24 4.75 0.00 1.92 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 2.15 2.31 0.00 19 P 0.00 4.35 0.00 2.03 2.06 0.00 3.58 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 20 S 7.81 4.42 0.00 3.77 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 7.55 4.48 0.00 2.83 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 22 T 8.06 4.60 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 1.26 0.00 0.00 23 I 7.83 3.74 2.02 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.47 0.94 0.00 0.00 24 E 8.16 4.05 0.00 2.19 2.41 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 0.00 2.45 2.40 0.00 25 N 8.05 4.17 0.00 2.99 2.90 0.00 0.00 6.54 7.69 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 26 V 7.87 3.55 2.17 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 1.01 0.00 0.00 1.02 0.00 0.00 27 K 8.35 4.29 0.00 2.04 1.94 0.00 1.74 0.00 0.00 2.01 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.57 7.81 28 A 8.72 4.01 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 29 K 7.79 4.40 0.00 2.01 1.86 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.43 7.81 30 I 7.90 3.70 2.17 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 1.42 1.09 0.92 0.00 0.00 31 Q 7.88 4.01 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 32 D 7.61 4.33 0.00 3.04 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 33 K 7.63 3.96 0.00 1.78 1.83 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.48 7.81 34 E 8.81 4.29 0.00 2.05 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 2.32 2.47 0.00 35 G 7.92 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 0.00 0.00 0.00 36 I 7.45 4.04 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 0.59 0.91 0.00 0.00 37 P 0.00 4.27 0.00 2.16 1.98 0.00 3.61 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 2.24 2.11 0.00 38 P 0.00 4.43 0.00 2.17 2.12 0.00 3.76 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 2.12 2.10 0.00 39 D 7.99 4.48 0.00 2.78 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 40 Q 8.30 4.41 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.27 0.00 41 Q 7.88 5.07 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.42 2.26 0.00 42 R 9.01 4.90 0.00 1.92 1.79 0.00 3.08 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 43 L 8.34 5.32 0.00 1.58 1.49 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.95 5.09 1.92 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 1.30 1.16 0.92 0.00 0.00 45 F 9.50 4.90 0.00 2.97 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 46 A 8.43 3.55 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 47 G 8.54 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.41 4.66 0.00 1.70 1.60 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.38 7.81 49 Q 8.49 4.54 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 50 L 8.66 4.41 0.00 1.39 1.38 0.83 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.42 4.76 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 52 D 8.84 4.47 0.00 2.70 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 53 G 8.57 4.27 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 0.00 0.00 0.00 54 R 7.89 3.78 0.00 2.10 1.64 0.00 3.10 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 55 T 8.33 4.31 4.44 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 1.28 0.00 0.00 56 L 8.83 4.16 0.00 1.76 1.95 0.85 0.99 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 57 S 8.10 3.93 0.00 3.81 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 7.83 4.47 0.00 2.13 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 59 Y 7.24 4.51 0.00 2.92 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 60 N 8.27 4.30 0.00 2.95 3.08 0.00 0.00 7.07 7.22 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 61 I 7.12 3.42 1.80 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.16 0.23 0.65 0.00 0.00 62 Q 8.16 4.71 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.01 0.00 0.00 0.00 0.00 0.00 2.47 2.29 0.00 63 K 8.29 3.97 0.00 1.79 1.64 0.00 1.83 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.46 7.81 64 E 7.99 3.35 0.00 2.11 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 0.00 2.29 2.19 0.00 65 S 7.48 4.45 0.00 3.95 3.76 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 66 T 8.80 4.77 4.44 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 1.31 0.00 0.00 67 L 9.27 4.84 0.00 1.90 1.62 0.88 1.02 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 68 H 8.93 5.32 0.00 3.23 3.18 0.00 5.58 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.65 5.14 0.00 1.81 1.52 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.62 4.38 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 1.01 0.00 0.00 0.94 0.00 0.00 71 L 8.57 4.80 0.00 1.55 1.59 0.92 0.98 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 72 R 8.92 4.22 0.00 1.77 1.89 0.00 3.13 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 73 L 8.46 4.27 0.00 1.62 1.70 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.66 4.60 0.00 1.79 1.88 0.00 3.19 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 75 G 8.25 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.70 4.28 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 0.00 77 M 7.53 4.84 0.00 2.23 1.86 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 78 Q 8.40 4.82 0.00 1.87 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.46 0.00 0.00 0.00 0.00 0.00 2.19 2.34 0.00 79 I 8.19 5.16 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.78 0.84 0.00 0.00 80 F 9.25 5.38 0.00 2.95 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 81 V 8.71 4.66 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.91 0.00 0.00 82 K 8.61 5.22 0.00 1.88 1.73 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.40 7.81 83 T 8.93 4.59 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 1.25 0.00 0.00 84 L 8.42 4.15 0.00 1.66 1.80 1.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 85 T 7.77 4.07 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 86 G 8.35 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 87 K 8.05 4.29 0.00 1.91 1.70 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.44 7.81 88 T 8.52 5.30 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 1.29 0.00 0.00 89 I 9.05 4.62 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 1.20 0.91 0.93 0.00 0.00 90 T 8.49 4.35 3.76 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 1.17 0.00 0.00 91 L 8.32 4.55 0.00 1.55 1.44 0.87 0.61 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 92 E 8.53 4.64 0.00 1.79 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 93 V 7.88 4.61 2.17 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 0.61 0.00 0.00 0.86 0.00 0.00 94 E 8.81 4.67 0.00 1.88 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 95 P 0.00 4.15 0.00 2.06 2.08 0.00 3.58 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 2.12 2.13 0.00 96 S 7.83 4.73 0.00 3.87 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 97 D 7.98 4.74 0.00 2.81 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 98 T 8.84 4.46 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 1.26 0.00 0.00 99 I 8.06 3.81 1.99 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.90 0.89 0.00 0.00 100 E 8.15 4.07 0.00 2.04 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 2.37 2.40 0.00 101 N 8.06 4.30 0.00 3.11 2.84 0.00 0.00 6.62 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 0.00 102 V 7.77 3.56 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 0.97 0.00 0.00 0.94 0.00 0.00 103 K 8.76 4.08 0.00 1.86 1.86 0.00 1.74 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.71 1.34 7.81 104 A 8.26 3.95 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 0.00 105 K 7.94 3.91 0.00 1.80 1.84 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.43 1.63 7.81 106 I 7.76 3.76 1.99 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 1.38 1.37 0.90 0.00 0.00 107 Q 8.00 4.10 0.00 2.15 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 108 D 7.56 4.29 0.00 2.67 2.82 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 0.00 109 K 7.68 4.10 0.00 1.74 1.72 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.51 7.81 110 E 8.20 4.11 0.00 2.10 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 2.35 2.48 0.00 111 G 8.47 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 0.00 0.00 0.00 0.00 112 I 7.16 3.45 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 1.47 0.62 0.91 0.00 0.00 113 P 0.00 4.39 0.00 2.55 2.24 0.00 3.69 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 2.08 1.97 0.00 114 P 0.00 4.97 0.00 2.20 2.18 0.00 3.71 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 115 D 8.30 4.74 0.00 2.71 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 0.00 116 Q 8.05 4.28 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 117 Q 7.77 4.31 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 118 R 8.32 4.61 0.00 1.83 1.74 0.00 3.17 0.00 0.00 3.34 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 119 L 8.53 4.91 0.00 1.58 1.54 0.87 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 120 I 8.66 4.72 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 1.13 1.23 0.93 0.00 0.00 121 F 8.92 4.67 0.00 2.96 2.82 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 0.00 122 A 9.34 3.64 0.69 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 0.00 123 G 8.10 4.34 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 0.00 124 K 7.29 4.37 0.00 2.03 1.98 0.00 1.42 0.00 0.00 1.84 0.00 0.00 3.34 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.62 1.50 7.81 125 Q 8.38 4.69 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.99 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 126 L 8.75 4.30 0.00 1.40 1.27 0.62 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 127 E 9.26 4.63 0.00 1.98 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 2.29 2.48 0.00 128 D 8.94 4.37 0.00 2.70 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 0.00 129 G 8.13 3.76 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 0.00 0.00 0.00 130 R 7.94 4.01 0.00 2.06 1.76 0.00 3.06 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 131 T 8.15 4.61 4.42 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 1.25 0.00 0.00 132 L 8.45 3.87 0.00 2.04 1.72 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 133 S 7.92 4.10 0.00 3.95 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 D 7.55 4.31 0.00 2.40 2.45 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 0.00 135 Y 7.99 4.25 0.00 2.92 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 0.00 136 N 8.21 4.07 0.00 2.83 2.91 0.00 0.00 7.01 7.97 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 0.00 137 I 7.78 4.20 1.68 0.00 0.00 0.54 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 0.53 0.47 0.00 0.00 138 Q 8.41 4.28 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.99 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 139 K 8.37 4.12 0.00 2.05 1.98 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.51 7.81 140 E 9.06 4.17 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 141 S 7.93 4.45 0.00 4.13 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 0.00 142 T 8.45 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 1.23 0.00 0.00 143 L 9.89 4.57 0.00 1.66 1.59 0.84 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 144 H 8.55 5.17 0.00 3.34 3.14 0.00 5.58 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 L 8.63 5.09 0.00 1.76 1.56 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 146 V 8.26 4.72 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.94 0.00 0.00 147 L 8.44 4.06 0.00 1.79 1.67 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 148 R 8.50 4.09 0.00 1.96 1.85 0.00 3.27 0.00 0.00 3.49 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00