NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5976 8.2227 120.3149 53.4162 40.6378 176.1072 3 Q 3.6460 8.7677 125.3636 58.7489 29.3599 175.1351 4 E 3.9762 8.1836 120.6876 58.9380 29.9580 177.8420 5 T 4.0514 7.8047 110.3746 64.4938 68.8585 176.1279 6 V 3.6901 7.7775 121.0344 65.7039 31.2323 178.1634 7 G 3.6370 8.2761 105.4440 47.8126 0.0000 176.7640 8 N 4.9515 7.7256 116.3401 52.1804 38.0151 177.1196 9 V 4.5293 8.7737 110.9819 60.8633 38.1367 176.7969 10 V 3.5722 7.9023 119.8617 66.2296 31.0787 177.7868 11 L 3.9925 7.8871 117.6463 57.8268 41.5204 179.2482 12 L 3.3916 7.6795 117.9245 57.5215 41.3763 179.1977 13 A 4.2771 8.5003 120.7357 55.7694 18.2841 179.1488 14 I 3.6317 8.5530 119.2335 64.8099 37.1099 178.5866 15 V 3.6067 8.6789 119.8435 65.5368 30.9833 178.5677 16 T 4.2867 8.3205 117.7925 65.9084 68.4060 176.4539 17 L 4.0906 8.5874 121.1449 58.3259 41.5478 179.2171 18 I 3.7466 8.1920 120.1162 64.2867 37.0996 178.1318 19 S 4.1449 8.7420 115.1215 62.0169 62.4673 177.1685 20 V 3.6428 8.1505 121.9071 64.4634 31.3435 178.4258 21 V 3.7557 7.8693 119.0462 65.7306 31.4801 177.7821 22 Q 4.2549 8.3855 117.8068 59.7599 28.3287 178.2803 23 N 3.7760 8.7599 119.4830 55.9252 38.4516 177.5606 24 G 3.6465 8.1042 106.8212 47.6772 0.0000 175.3530 25 F 4.4855 8.4302 122.9516 61.2967 39.2272 176.7932 26 F 3.9932 9.0445 117.1208 60.6825 38.5770 177.0788 27 A 4.2811 7.9228 116.0571 53.4227 18.4888 177.8409 28 H 4.6839 8.1127 117.2101 58.1328 29.2110 176.8133 29 K 4.1916 8.7278 119.4955 58.2819 31.7062 178.9050 30 V 4.2309 7.5085 118.6985 65.1367 31.6243 177.4028 31 E 4.0099 8.2122 119.3109 59.3431 29.4542 178.4672 32 H 4.2378 8.1072 115.9823 58.8446 28.7785 177.4153 33 E 3.8112 7.5378 118.8694 59.4425 29.1206 179.3616 34 S 3.4846 6.9663 111.3025 60.2428 62.3789 175.7926 35 R 4.0457 7.2256 121.4300 59.5618 30.1234 177.9732 36 T 4.0165 8.1251 109.0919 64.1268 69.8155 175.1134 37 Q 4.2170 7.7187 121.3404 54.2046 26.4177 173.3226 38 N 4.0764 8.1232 116.5553 54.3918 39.4711 174.1456 39 G 4.0340 7.8388 112.7401 46.0080 0.0000 171.2917 40 R 3.9952 9.1443 122.5303 57.5636 29.2024 180.5087 41 S 4.6984 8.8642 117.3503 57.8174 62.8737 176.6009 42 F 4.8201 8.6208 122.0258 57.0279 41.6716 173.1724 43 Q 4.5226 8.0402 125.7445 53.7220 32.6015 175.3650 44 R 3.3072 8.3825 120.0521 58.4925 30.2696 176.3866 45 T 4.3306 7.4829 113.3462 61.3289 69.3273 172.9840 46 G 4.0648 7.3161 114.4495 45.0348 0.0000 172.1650 47 T 3.6481 8.3619 119.8025 64.1392 67.9703 170.8794 48 L 4.4965 8.3632 117.6555 57.5557 43.2185 178.5194 49 A 4.0093 7.8486 120.0747 54.8292 18.2847 179.3986 50 F 4.3729 8.1471 118.8335 61.5652 39.6375 176.8373 51 E 3.6854 7.7134 116.8851 59.7416 29.3301 179.7040 52 R 3.6857 8.0756 117.7773 59.1007 29.9533 179.3714 53 V 3.5868 8.0943 118.3396 66.2408 31.6611 177.2359 54 Y 4.2909 8.5790 119.5949 61.3823 38.3050 178.2215 55 T 3.7213 7.7412 115.2144 66.3643 68.7235 175.6918 56 A 4.3882 7.6401 122.3718 55.6012 18.4559 179.2884 57 N 3.8040 8.1691 115.2435 56.6536 38.9189 176.4962 58 Q 3.9901 7.9165 116.8471 57.4322 28.6450 176.4295 59 N 4.8674 7.7296 117.1594 55.8328 39.6652 176.5265 60 C 3.9630 7.9875 117.2517 61.5608 26.8920 176.0751 61 V 3.6813 7.6434 120.0913 65.7739 31.0384 177.1226 62 D 4.4980 7.7167 116.5585 56.6643 41.0375 177.5726 63 A 4.6017 8.2899 122.6062 54.0924 18.2785 180.4113 64 Y 4.4382 8.4691 115.0796 59.1692 40.1856 176.2429 65 P 4.4849 0.0000 0.0000 66.8847 30.8096 178.1436 66 T 3.9230 8.0322 115.6210 65.5199 68.4280 176.3975 67 F 4.2304 8.2453 122.6129 61.3634 39.5690 177.2365 68 L 3.2213 8.4771 119.2982 57.9264 41.2834 178.7372 69 A 3.9008 8.2380 120.6148 55.7943 18.2096 179.9597 70 V 3.7811 7.7574 109.9250 63.4419 31.9590 178.3936 71 L 3.5753 8.0256 120.4644 58.1158 41.5983 179.2943 72 W 3.8043 8.0030 118.3830 59.7113 29.2454 178.6754 73 S 4.0704 8.1614 113.9421 61.6871 62.1682 176.5704 74 A 4.0531 7.9231 125.9102 54.2485 18.0147 179.8090 75 G 3.4661 7.5917 102.1722 46.7735 0.0000 175.1075 76 L 4.4214 7.8471 120.3845 56.7685 42.8797 178.4391 77 L 4.4222 7.9401 117.8724 55.8082 41.5977 176.3156 78 C 4.3776 8.0614 117.3160 58.8451 32.3987 171.8432 79 S 3.4190 8.7274 121.2715 58.4463 61.2544 172.8733 80 Q 4.0503 8.4464 125.8074 59.0210 28.5919 178.4665 81 V 3.5793 7.6409 119.7585 65.5211 31.7460 176.1766 82 P 4.3523 0.0000 0.0000 65.2668 31.2297 178.5588 83 A 3.7251 7.6718 118.5495 55.1110 18.4748 179.4357 84 A 3.7740 8.1794 119.7273 55.3005 18.1517 179.7070 85 F 3.9483 8.2101 117.9457 61.0874 39.5615 176.8487 86 A 4.5174 8.1599 119.6881 55.5147 18.5516 179.5678 87 G 3.9604 8.1654 103.9881 47.7289 0.0000 175.7401 88 L 3.7985 7.3135 118.5228 55.8326 41.5874 177.7665 *90 Y 4.4024 7.7868 119.8935 57.0962 40.6036 177.0684 91 L 3.9120 7.7569 119.4055 57.6018 41.4809 179.7586 92 F 4.5532 7.7928 117.9854 60.7225 38.9466 177.8727 93 V 3.6221 7.8629 117.3353 66.0212 31.1681 177.9876 94 R 3.8241 7.9248 117.8687 59.2438 29.9002 178.4077 95 Q 4.1039 8.0283 118.9184 59.5683 28.9436 178.8213 96 K 3.9506 8.2363 119.1787 59.6455 32.0637 178.6689 97 Y 4.2316 8.4388 120.0461 60.7151 38.6167 177.3311 98 F 3.9399 8.4712 120.8528 61.4566 38.1297 177.1364 99 V 3.3351 8.0134 118.0380 65.7859 31.1753 178.1470 100 G 3.7676 8.1681 103.7508 45.7751 0.0000 172.7055 101 Y 4.6884 7.4282 122.9098 58.2155 38.3768 175.0414 102 L 4.0401 9.0117 128.2673 55.6787 39.7561 175.9243 103 G 3.6670 7.3690 106.0918 47.7177 0.0000 174.2936 104 E 4.4136 8.1147 117.0762 55.0241 31.7737 175.7499 105 R 3.7188 7.8625 114.2513 57.8093 28.2238 174.7842 106 T 4.6186 7.5703 111.2983 62.8772 72.4074 174.3604 107 Q 4.6128 8.2805 122.7443 56.3394 29.3969 174.4651 108 S 4.5712 7.2492 118.5492 56.6929 64.0513 175.3835 109 T 3.3668 8.6158 118.7620 65.3606 68.0390 170.6611 110 P 3.9757 0.0000 0.0000 62.3921 31.7614 175.4798 111 G 4.3134 6.9251 108.7766 45.2794 0.0000 171.7008 112 Y 4.6592 7.9488 115.8988 58.0298 38.8228 176.7199 113 I 3.7857 7.4866 119.2920 62.4785 39.8275 177.3306 114 F 3.2060 7.3429 112.9917 56.4762 37.7803 173.7881 115 G 3.9763 9.1621 108.6590 47.2034 0.0000 172.9047 116 K 4.3756 8.8043 124.3878 58.7259 34.0625 178.6841 117 R 4.1275 7.8914 116.8051 58.3034 29.5254 178.6338 118 I 3.9573 7.9042 120.9623 64.3389 37.2096 177.9124 119 I 4.0762 7.9610 113.1825 63.1994 37.7936 177.7605 120 L 3.9747 8.0331 122.5466 57.9730 41.7023 178.6707 121 F 4.4617 8.3675 119.4086 61.5854 39.5095 176.4961 122 L 3.6549 7.4624 116.8243 57.7589 41.7006 179.1611 123 F 4.2533 8.6269 120.6862 61.0896 39.3796 178.7955 124 L 4.3198 8.2311 118.5132 54.8374 41.2327 179.6377 *126 S 4.2440 8.0926 115.9927 58.6342 64.5199 176.6186 127 V 3.5885 7.7334 117.5554 64.0088 31.2355 176.9889 128 A 4.2773 8.5482 123.5597 53.4320 18.0433 179.0685 129 G 4.3973 8.1584 103.9329 46.6483 0.0000 174.7966 130 I 3.5578 7.7608 119.8301 63.3910 38.1162 177.1524 131 F 4.2347 8.5104 121.3104 60.4990 39.8622 177.1486 132 N 3.4998 8.1516 115.8472 56.2453 38.4749 176.0188 133 Y 4.1387 7.9200 121.1687 61.0709 39.0090 177.3029 134 Y 4.1067 7.4335 117.1668 60.3558 37.5230 178.9352 135 L 3.5716 7.2273 119.8805 57.7135 41.8089 179.1466 136 I 3.5582 7.3690 117.8662 64.0179 37.0004 178.1974 137 F 4.7893 8.7568 121.4819 61.5382 39.3551 176.8321 138 F 4.5218 7.9252 115.9051 60.0631 39.2067 177.6559 139 F 5.7364 7.5752 117.9001 59.0529 39.1111 178.0435 140 G 3.5691 9.0593 108.0564 47.8500 0.0000 173.6999 141 S 4.6120 8.1059 111.9085 57.8598 63.0980 172.6366 142 D 4.7123 9.1504 121.5264 52.9240 41.0918 175.4058 143 F 4.8030 8.1885 125.4889 56.6842 43.0224 174.6304 144 E 4.3808 7.5153 127.5330 55.5647 28.2498 175.8561 145 N 4.8516 7.7103 114.0541 53.5875 39.5721 176.8208 146 Y 4.5945 7.8050 115.8782 59.1952 38.5308 176.2970 147 I 3.9202 7.7361 118.6868 61.6314 37.5694 175.4490 148 A 4.0364 7.4709 123.2366 52.9432 18.0753 177.8458 149 T 4.1986 8.3802 118.2525 64.2901 69.0325 174.5205 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 2 D 8.22 4.60 0.00 2.91 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 3 Q 8.77 3.65 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.07 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 4 E 8.18 3.98 0.00 2.03 1.85 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 2.37 2.31 0.00 5 T 7.80 4.05 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 1.27 0.00 0.00 6 V 7.78 3.69 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 1.02 0.00 0.00 0.97 0.00 0.00 7 G 8.28 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 N 7.73 4.95 0.00 2.76 2.83 0.00 0.00 6.38 8.90 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 9 V 8.77 4.53 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 0.75 0.00 0.00 1.13 0.00 0.00 10 V 7.90 3.57 2.23 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 1.04 0.00 0.00 0.98 0.00 0.00 11 L 7.89 3.99 0.00 1.59 1.65 0.92 0.59 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 L 7.68 3.39 0.00 0.98 0.13 0.55 0.23 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 13 A 8.50 4.28 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.55 3.63 2.09 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 1.59 0.59 0.92 0.00 0.00 15 V 8.68 3.61 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 0.68 0.00 0.00 0.92 0.00 0.00 16 T 8.32 4.29 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 17 L 8.59 4.09 0.00 1.97 1.78 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.19 3.75 2.05 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 1.63 0.65 0.98 0.00 0.00 19 S 8.74 4.14 0.00 4.39 4.47 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 20 V 8.15 3.64 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 0.84 0.00 0.00 1.06 0.00 0.00 21 V 7.87 3.76 2.37 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 1.13 0.00 0.00 0.98 0.00 0.00 22 Q 8.39 4.25 0.00 2.47 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.50 0.00 0.00 0.00 0.00 0.00 2.20 1.79 0.00 23 N 8.76 3.78 0.00 2.67 2.70 0.00 0.00 6.94 7.52 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 24 G 8.10 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 25 F 8.43 4.49 0.00 3.18 3.55 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 26 F 9.04 3.99 0.00 3.08 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.92 4.28 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 28 H 8.11 4.68 0.00 3.37 3.72 0.00 5.79 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 29 K 8.73 4.19 0.00 2.29 2.02 0.00 1.61 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.87 1.55 7.81 30 V 7.51 4.23 2.27 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 1.38 0.00 0.00 1.18 0.00 0.00 31 E 8.21 4.01 0.00 2.19 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 2.33 2.41 0.00 32 H 8.11 4.24 0.00 3.13 3.28 0.00 5.70 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 33 E 7.54 3.81 0.00 2.02 1.51 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 0.00 2.39 2.49 0.00 34 S 6.97 3.48 0.00 3.29 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 35 R 7.23 4.05 0.00 2.04 1.89 0.00 3.52 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 36 T 8.13 4.02 4.18 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 1.11 0.00 0.00 37 Q 7.72 4.22 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.55 2.63 0.00 38 N 8.12 4.08 0.00 2.66 2.78 0.00 0.00 7.13 7.98 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 39 G 7.84 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 0.00 0.00 0.00 40 R 9.14 4.00 0.00 1.83 1.72 0.00 3.40 0.00 0.00 3.29 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 41 S 8.86 4.70 0.00 4.06 3.62 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 42 F 8.62 4.82 0.00 2.88 2.90 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 43 Q 8.04 4.52 0.00 1.93 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.88 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 44 R 8.38 3.31 0.00 1.59 1.83 0.00 3.22 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 45 T 7.48 4.33 4.14 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 1.19 0.00 0.00 46 G 7.32 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.36 3.65 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 48 L 8.36 4.50 0.00 1.66 1.66 0.92 0.64 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 49 A 7.85 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 50 F 8.15 4.37 0.00 3.02 3.22 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 51 E 7.71 3.69 0.00 2.23 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.53 0.00 52 R 8.08 3.69 0.00 1.97 1.83 0.00 3.09 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.52 0.00 53 V 8.09 3.59 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 1.33 0.00 0.00 1.09 0.00 0.00 54 Y 8.58 4.29 0.00 3.21 2.90 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 55 T 7.74 3.72 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 1.30 0.00 0.00 56 A 7.64 4.39 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 8.17 3.80 0.00 2.37 2.81 0.00 0.00 6.95 6.77 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 58 Q 7.92 3.99 0.00 1.20 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.16 2.39 0.00 59 N 7.73 4.87 0.00 3.08 2.99 0.00 0.00 6.99 7.95 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 60 C 7.99 3.96 0.00 2.81 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 61 V 7.64 3.68 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 1.17 0.00 0.00 0.93 0.00 0.00 62 D 7.72 4.50 0.00 2.82 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 63 A 8.29 4.60 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 64 Y 8.47 4.44 0.00 3.26 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 65 P 0.00 4.48 0.00 2.34 2.31 0.00 3.93 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.18 0.00 66 T 8.03 3.92 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 1.30 0.00 0.00 67 F 8.25 4.23 0.00 2.76 3.24 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 68 L 8.48 3.22 0.00 1.48 1.44 0.51 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 69 A 8.24 3.90 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 70 V 7.76 3.78 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 1.19 0.00 0.00 1.06 0.00 0.00 71 L 8.03 3.58 0.00 0.82 1.27 0.13 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 72 W 8.00 3.80 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 73 S 8.16 4.07 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 74 A 7.92 4.05 1.23 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 0.00 0.00 0.00 75 G 7.59 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 76 L 7.85 4.42 0.00 1.70 1.71 1.00 1.32 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 77 L 7.94 4.42 0.00 1.81 1.63 0.91 0.52 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 78 C 8.06 4.38 0.00 2.90 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 79 S 8.73 3.42 0.00 3.99 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 80 Q 8.45 4.05 0.00 2.28 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 81 V 7.64 3.58 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 1.07 0.00 0.00 0.92 0.00 0.00 82 P 0.00 4.35 0.00 2.25 2.21 0.00 3.68 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 83 A 7.67 3.73 1.26 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 0.00 0.00 0.00 84 A 8.18 3.77 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 85 F 8.21 3.95 0.00 3.10 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 86 A 8.16 4.52 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.17 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 88 L 7.31 3.80 0.00 1.62 1.24 0.01 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 *90 Y 7.79 4.40 0.00 3.11 2.91 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 91 L 7.76 3.91 0.00 1.87 1.74 1.17 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 92 F 7.79 4.55 0.00 2.87 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 93 V 7.86 3.62 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 1.17 0.00 0.00 0.96 0.00 0.00 94 R 7.92 3.82 0.00 1.78 1.93 0.00 3.18 0.00 0.00 2.69 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.02 0.00 95 Q 8.03 4.10 0.00 2.49 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.78 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 96 K 8.24 3.95 0.00 2.08 1.88 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.49 7.81 97 Y 8.44 4.23 0.00 2.94 3.21 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 0.00 0.00 0.00 98 F 8.47 3.94 0.00 2.61 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 99 V 8.01 3.34 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 0.86 0.00 0.00 0.67 0.00 0.00 100 G 8.17 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 0.00 101 Y 7.43 4.69 0.00 2.82 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 0.00 102 L 9.01 4.04 0.00 1.82 1.84 0.96 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.00 0.00 103 G 7.37 3.67 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 0.00 0.00 0.00 104 E 8.11 4.41 0.00 1.96 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 2.21 2.20 0.00 105 R 7.86 3.72 0.00 2.02 2.02 0.00 2.98 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 106 T 7.57 4.62 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 1.22 0.00 0.00 107 Q 8.28 4.61 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 108 S 7.25 4.57 0.00 3.85 3.56 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 0.00 109 T 8.62 3.37 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 1.27 0.00 0.00 110 P 0.00 3.98 0.00 2.25 2.28 0.00 4.35 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 111 G 6.93 4.31 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 0.00 112 Y 7.95 4.66 0.00 2.89 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 0.00 113 I 7.49 3.79 1.61 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 1.33 0.49 0.64 0.00 0.00 114 F 7.34 3.21 0.00 3.07 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 0.00 115 G 9.16 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 0.00 0.00 0.00 116 K 8.80 4.38 0.00 1.92 1.95 0.00 1.47 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.46 7.81 117 R 7.89 4.13 0.00 2.12 2.26 0.00 2.99 0.00 0.00 3.36 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 118 I 7.90 3.96 2.13 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.47 1.32 0.00 0.00 119 I 7.96 4.08 2.02 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 1.21 0.00 0.00 120 L 8.03 3.97 0.00 1.98 1.97 1.00 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 0.00 121 F 8.37 4.46 0.00 2.98 3.42 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 0.00 122 L 7.46 3.65 0.00 1.87 1.68 0.56 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 123 F 8.63 4.25 0.00 3.15 3.24 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 0.00 124 L 8.23 4.32 0.00 2.21 1.82 1.28 1.00 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 *126 S 8.09 4.24 0.00 3.78 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 0.00 127 V 7.73 3.59 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.86 0.00 0.00 128 A 8.55 4.28 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 0.00 129 G 8.16 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 0.00 0.00 0.00 0.00 130 I 7.76 3.56 1.97 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 1.31 1.00 0.77 0.00 0.00 131 F 8.51 4.23 0.00 2.94 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 0.00 132 N 8.15 3.50 0.00 2.71 2.82 0.00 0.00 6.77 7.56 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 0.00 133 Y 7.92 4.14 0.00 2.90 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 Y 7.43 4.11 0.00 2.75 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 0.00 0.00 0.00 0.00 135 L 7.23 3.57 0.00 1.66 1.53 0.70 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 136 I 7.37 3.56 2.15 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 1.45 0.69 1.01 0.00 0.00 137 F 8.76 4.79 0.00 2.71 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 0.00 138 F 7.93 4.52 0.00 2.80 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 0.00 139 F 7.58 5.74 0.00 3.16 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 G 9.06 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 0.00 141 S 8.11 4.61 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 0.00 142 D 9.15 4.71 0.00 2.61 2.46 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 0.00 143 F 8.19 4.80 0.00 2.80 2.75 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 0.00 144 E 7.52 4.38 0.00 1.73 1.76 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 2.00 2.03 0.00 145 N 7.71 4.85 0.00 3.02 3.02 0.00 0.00 6.95 7.48 0.00 0.00 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 Y 7.81 4.59 0.00 2.84 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 0.00 147 I 7.74 3.92 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.44 0.90 0.00 0.00 148 A 7.47 4.04 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 0.00 149 T 8.38 4.20 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 1.20 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.