NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3957 8.0176 110.9452 60.7406 70.5529 174.7812 6 P 3.9769 0.0000 0.0000 65.2839 31.2724 177.5534 7 F 4.1623 9.1364 121.8064 61.0045 39.7000 177.6441 8 D 4.2385 8.1075 118.1819 57.3093 40.4835 178.8668 9 A 3.9455 7.5042 120.8370 55.0610 18.2371 179.3591 10 L 3.7866 7.4828 117.4084 58.0056 42.2064 178.5534 11 W 4.0297 8.2076 127.6196 60.6575 30.8067 177.6777 12 Q 4.1171 8.3210 117.9389 58.7093 28.1037 178.7810 13 R 3.9551 7.8466 115.4271 57.5551 29.8844 178.1647 *15 L 3.9269 7.8392 120.6686 54.6159 43.5469 178.9217 16 A 3.9794 7.7758 120.3780 55.2346 18.2485 178.7212 17 R 3.6432 6.7195 112.0955 57.2113 29.9018 177.7693 18 G 3.9396 8.0876 107.0797 44.5597 0.0000 173.9401 19 W 4.6901 7.4292 119.2669 56.9816 30.1216 175.4385 20 T 4.5180 8.3844 113.5714 59.5847 70.2499 172.5266 21 P 5.0757 0.0000 0.0000 62.7239 32.1814 176.0688 22 V 4.6115 8.6135 122.2778 60.1150 34.6727 174.6478 23 S 4.8465 8.4562 116.3902 56.0638 66.0627 174.4654 24 E 3.9817 8.8432 121.8884 59.6887 29.0551 179.2620 25 S 4.2929 8.1578 112.2521 60.4549 63.2759 175.3249 26 R 4.5820 7.8271 119.6275 55.2582 30.9143 176.9885 27 L 4.0212 7.6845 121.5538 58.5848 42.0320 178.4759 28 D 4.4273 8.2342 117.9952 57.6623 40.5465 178.5448 29 D 4.3600 8.0602 117.6438 57.0429 41.3336 178.1648 30 W 4.2222 8.4488 128.8908 60.4416 30.7045 177.8573 31 L 3.5885 8.6929 119.5244 58.0432 40.8652 179.7570 32 T 3.8893 7.9566 108.5172 63.7839 68.5793 175.4373 33 Q 4.4842 7.1859 118.0340 54.9817 30.3626 176.6768 34 A 4.4813 7.3213 122.8782 50.2490 20.2118 174.4535 35 P 4.3277 0.0000 0.0000 64.6254 32.9568 176.5697 36 D 5.2103 8.0241 120.7865 52.5974 42.7216 175.5982 37 G 4.7501 9.2072 110.5862 45.3490 0.0000 169.9557 38 V 5.1430 9.3437 118.6832 61.2369 35.4277 173.8562 39 V 4.5184 8.6560 127.1765 61.0374 34.0369 174.0819 40 L 4.6121 8.7089 129.1480 53.7527 43.1904 175.5541 41 L 4.6422 8.5949 125.0220 53.0939 43.4417 176.1061 42 S 5.0430 8.5130 118.7135 56.8533 66.6534 172.6909 43 S 4.9573 8.4322 116.2167 56.2266 67.0384 173.4872 44 D 4.3794 8.4967 120.1662 53.8079 41.1517 175.1294 45 P 4.6001 0.0000 0.0000 65.5089 31.8336 178.9456 46 K 4.0319 8.0622 117.5909 59.5654 32.1963 178.2602 47 R 3.9461 8.1852 117.1308 59.0160 30.1745 176.2128 48 T 4.4498 7.8730 113.9489 59.3602 68.1551 171.8832 49 P 4.6376 0.0000 0.0000 63.2642 31.2798 177.3852 50 E 4.2296 8.3366 120.7179 58.8015 29.7832 178.8050 51 V 3.7931 7.1056 116.5822 65.3229 31.6658 177.0993 52 S 4.4162 8.0083 114.5541 61.2103 63.4430 175.5949 53 D 4.5484 8.3539 120.5411 56.6170 40.4274 177.8563 54 N 4.2933 8.2415 116.5694 56.6330 39.0722 174.1312 55 P 4.5761 0.0000 0.0000 65.7743 31.2239 178.6766 56 V 3.3577 7.2913 113.1601 64.4466 32.1191 177.5367 *58 I 3.9769 7.9109 120.7320 61.0295 38.9376 177.9654 59 G 3.9253 8.3167 105.9712 48.0629 0.0000 175.3277 60 E 4.3503 8.1180 121.1661 59.2099 29.7447 178.9047 61 L 4.0658 8.3045 119.8345 58.4984 41.7966 178.9782 62 L 3.6281 7.8635 118.8330 57.8216 41.4347 178.6857 63 H 4.7611 7.8015 110.8237 56.9328 28.5171 176.1891 64 E 4.3803 7.9693 120.5064 57.0335 31.2862 176.5124 65 F 5.0552 8.6749 117.6898 55.1808 39.6270 173.7841 66 P 4.5500 0.0000 0.0000 65.3840 31.8503 178.0884 67 D 4.3477 8.3527 116.8587 56.2272 40.8542 175.7471 68 Y 4.3760 7.5724 115.6957 56.2602 41.0250 176.0045 69 T 4.3200 7.7394 117.4749 60.1475 66.2537 174.9691 70 W 4.9363 7.6653 121.5815 57.9893 30.4264 177.2880 71 Q 4.7020 9.1835 124.1075 54.4807 32.4749 173.5397 72 V 4.6646 8.6390 125.3686 61.1354 33.8517 174.0342 73 A 4.8899 8.8934 129.0568 49.7733 22.3782 174.8193 74 I 4.8157 8.2846 112.8669 58.9277 41.0377 174.0813 75 A 5.3871 8.4308 126.2819 50.0757 21.6491 176.8334 76 D 4.7977 8.5940 121.3636 52.4592 41.8758 177.2212 77 L 3.7505 7.7418 118.1610 58.1308 41.5510 179.6258 78 E 3.9417 7.9265 117.6600 59.6719 29.5759 179.3769 79 Q 4.0697 9.1797 118.4646 58.9210 28.6044 178.9254 80 S 4.2210 8.5539 116.8699 61.6556 62.7367 176.6015 81 E 4.0913 8.1392 120.7222 59.1626 29.3066 179.1166 82 A 3.9930 7.8952 120.5535 55.3336 18.3258 179.6407 83 I 3.9070 8.1573 117.4536 64.4289 37.5089 178.5813 84 G 3.9566 8.5177 106.7367 48.2115 0.0000 175.2476 85 D 4.1691 8.2734 122.1233 57.0552 40.6105 179.1007 86 R 3.9823 7.8031 117.5572 58.1289 30.1240 177.4206 87 F 4.5782 7.9787 114.9979 56.3075 39.6757 176.1074 88 G 3.7592 7.5501 104.9695 45.7910 0.0000 174.0610 89 A 4.3324 7.6105 122.5571 51.4324 17.6750 177.6399 90 F 4.5961 8.5804 120.9162 57.8085 39.6451 176.7538 91 R 4.4639 7.8764 121.2343 54.7472 30.6067 173.6954 92 F 5.2780 8.3289 122.2582 55.1414 40.9353 174.0557 93 P 4.6577 0.0000 0.0000 62.8415 32.5399 175.2518 94 A 5.1825 8.4244 123.3996 50.6725 23.4694 175.4172 95 T 4.7759 8.4716 115.2059 61.8611 72.6519 173.4689 96 L 4.6735 8.8166 127.8987 54.2401 43.3749 176.1634 97 V 4.7806 8.6306 123.7725 61.0988 34.1534 174.2353 98 F 5.4022 9.5846 125.9658 56.0504 42.6679 174.1071 99 T 4.7654 9.0834 119.9994 62.0702 72.1022 174.5678 100 G 4.0277 9.4256 115.5866 46.7472 0.0000 174.1560 101 G 3.9632 8.7489 103.9944 45.5682 0.0000 173.4638 102 N 5.0719 8.2754 117.9124 50.9856 40.8301 173.4207 103 Y 4.1091 8.7639 124.1565 57.6071 39.0957 175.2632 104 R 3.9681 9.1363 127.1453 55.5014 31.4098 177.1663 105 G 3.3900 5.3800 103.4855 44.7368 0.0000 170.5506 106 V 4.8361 7.4793 118.4711 59.9070 34.5313 175.1307 107 L 4.5091 8.9589 125.5082 53.7216 42.5017 175.4230 108 N 5.3448 8.7903 121.0462 52.0303 40.6740 175.2574 109 G 3.7982 8.5156 107.4304 44.6221 0.0000 172.0835 110 I 4.5068 7.7502 117.3116 59.4058 40.2952 174.4308 111 H 5.0173 8.5238 123.1517 52.9443 32.9275 171.3539 112 P 4.4712 0.0000 0.0000 62.4663 32.1274 177.3645 113 W 3.9031 9.1600 129.7591 60.9370 30.5272 178.2663 114 A 4.2725 8.3063 119.9609 55.0141 17.6933 178.5079 115 E 4.2156 7.9330 117.3428 57.0618 30.0764 178.0357 116 L 3.9621 7.4248 120.3735 58.0522 42.2311 177.9053 117 I 3.5194 6.9816 116.7722 64.2220 37.8953 176.9976 118 N 4.5919 7.7090 116.9910 55.6327 37.1699 177.6845 119 L 3.9398 7.3855 118.8045 54.9278 41.3019 178.8118 *121 R 4.3525 8.1674 121.6316 56.4704 31.5638 176.9720 122 G 3.9124 7.8986 103.8682 46.5593 0.0000 173.6920 123 L 4.3447 7.1860 116.6548 56.2138 43.1379 177.8122 124 V 4.0640 7.3811 108.6403 60.3117 31.5957 175.6482 125 E 4.6625 7.5541 125.9088 57.1975 30.8589 176.0630 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 5 T 8.02 4.40 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 1.24 0.00 0.00 6 P 0.00 3.98 0.00 2.45 2.39 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 7 F 9.14 4.16 0.00 3.10 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 8 D 8.11 4.24 0.00 2.93 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 9 A 7.50 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.48 3.79 0.00 1.61 1.64 0.91 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 11 W 8.21 4.03 0.00 2.83 3.06 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 12 Q 8.32 4.12 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.62 2.56 0.00 13 R 7.85 3.96 0.00 1.85 1.79 0.00 3.11 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 *15 L 7.84 3.93 0.00 1.66 1.58 0.96 0.57 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 16 A 7.78 3.98 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.72 3.64 0.00 0.67 0.90 0.00 2.21 0.00 0.00 2.94 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.72 0.00 18 G 8.09 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 W 7.43 4.69 0.00 3.12 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 20 T 8.38 4.52 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 1.32 0.00 0.00 21 P 0.00 5.08 0.00 2.10 2.48 0.00 3.64 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 2.13 1.98 0.00 22 V 8.61 4.61 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 0.49 0.00 0.00 0.79 0.00 0.00 23 S 8.46 4.85 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.84 3.98 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 25 S 8.16 4.29 0.00 4.08 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 26 R 7.83 4.58 0.00 1.90 2.01 0.00 3.18 0.00 0.00 3.14 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 27 L 7.68 4.02 0.00 1.94 1.86 0.91 1.43 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 28 D 8.23 4.43 0.00 2.77 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 29 D 8.06 4.36 0.00 2.89 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 30 W 8.45 4.22 0.00 3.39 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 31 L 8.69 3.59 0.00 2.00 1.63 0.53 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.96 3.89 4.20 0.00 0.00 0.00 0.00 0.00 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 33 Q 7.19 4.48 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.20 0.00 0.00 0.00 0.00 0.00 2.20 2.37 0.00 34 A 7.32 4.48 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.33 0.00 2.06 2.27 0.00 3.49 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 36 D 8.02 5.21 0.00 2.50 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 0.00 0.00 0.00 37 G 9.21 4.75 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 0.00 0.00 0.00 38 V 9.34 5.14 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 0.71 0.00 0.00 0.56 0.00 0.00 39 V 8.66 4.52 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 0.80 0.00 0.00 0.80 0.00 0.00 40 L 8.71 4.61 0.00 1.49 1.48 0.59 -0.18 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 41 L 8.59 4.64 0.00 0.81 0.46 0.79 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.51 5.04 0.00 4.01 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 43 S 8.43 4.96 0.00 3.85 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 44 D 8.50 4.38 0.00 2.64 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.60 0.00 2.33 2.20 0.00 3.82 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 46 K 8.06 4.03 0.00 1.72 1.89 0.00 1.75 0.00 0.00 1.93 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.42 7.81 47 R 8.19 3.95 0.00 1.76 2.13 0.00 3.23 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 48 T 7.87 4.45 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 1.33 0.00 0.00 49 P 0.00 4.64 0.00 2.24 2.17 0.00 3.44 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 50 E 8.34 4.23 0.00 2.08 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 0.00 2.33 2.41 0.00 51 V 7.11 3.79 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.06 0.00 0.00 52 S 8.01 4.42 0.00 3.94 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.35 4.55 0.00 2.90 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 54 N 8.24 4.29 0.00 2.71 2.91 0.00 0.00 6.95 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 55 P 0.00 4.58 0.00 2.28 2.35 0.00 3.75 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 2.19 2.27 0.00 56 V 7.29 3.36 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.99 0.00 0.00 *58 I 7.91 3.98 1.93 0.00 0.00 0.71 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 0.58 0.57 0.00 0.00 59 G 8.32 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.12 4.35 0.00 2.35 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 0.00 2.71 2.60 0.00 61 L 8.30 4.07 0.00 1.59 1.74 0.67 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.86 3.63 0.00 1.92 1.59 0.69 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 63 H 7.80 4.76 0.00 3.40 3.56 0.00 5.55 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 7.97 4.38 0.00 2.52 1.83 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 2.49 3.03 0.00 65 F 8.67 5.06 0.00 3.76 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 66 P 0.00 4.55 0.00 2.11 2.22 0.00 3.80 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.42 0.00 67 D 8.35 4.35 0.00 2.04 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 68 Y 7.57 4.38 0.00 1.45 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 T 7.74 4.32 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 1.15 0.00 0.00 70 W 7.67 4.94 0.00 3.30 3.06 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 71 Q 9.18 4.70 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 72 V 8.64 4.66 1.15 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 -0.45 0.00 0.00 0.46 0.00 0.00 73 A 8.89 4.89 -0.34 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 74 I 8.28 4.82 1.74 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.54 0.92 0.00 0.00 75 A 8.43 5.39 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 76 D 8.59 4.80 0.00 2.55 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 0.00 0.00 0.00 0.00 77 L 7.74 3.75 0.00 1.41 1.54 0.56 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 78 E 7.93 3.94 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 79 Q 9.18 4.07 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 80 S 8.55 4.22 0.00 4.07 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 81 E 8.14 4.09 0.00 2.20 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.62 0.00 82 A 7.90 3.99 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 83 I 8.16 3.91 1.98 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 1.54 0.74 0.98 0.00 0.00 84 G 8.52 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 85 D 8.27 4.17 0.00 2.93 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 86 R 7.80 3.98 0.00 1.78 2.14 0.00 3.21 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.36 0.00 87 F 7.98 4.58 0.00 2.91 2.84 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 0.00 0.00 0.00 88 G 7.55 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 89 A 7.61 4.33 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 90 F 8.58 4.60 0.00 3.03 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.88 4.46 0.00 1.76 1.90 0.00 3.33 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 92 F 8.33 5.28 0.00 2.91 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 93 P 0.00 4.66 0.00 2.08 1.97 0.00 3.59 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 2.16 2.16 0.00 94 A 8.42 5.18 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 95 T 8.47 4.78 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 1.01 0.00 0.00 96 L 8.82 4.67 0.00 1.70 1.51 0.14 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.63 4.78 1.86 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 0.88 0.00 0.00 0.71 0.00 0.00 98 F 9.58 5.40 0.00 3.20 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 99 T 9.08 4.77 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 1.42 0.00 0.00 100 G 9.43 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 0.00 101 G 8.75 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 0.00 102 N 8.28 5.07 0.00 2.95 2.75 0.00 0.00 6.65 7.17 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 0.00 103 Y 8.76 4.11 0.00 2.84 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 0.00 104 R 9.14 3.97 0.00 1.50 1.90 0.00 3.54 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 105 G 5.38 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 0.00 0.00 0.00 106 V 7.48 4.84 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 0.85 0.00 0.00 0.95 0.00 0.00 107 L 8.96 4.51 0.00 1.47 1.54 0.68 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.79 5.34 0.00 2.85 2.81 0.00 0.00 6.45 7.00 0.00 0.00 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 G 8.52 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 7.75 4.51 1.87 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 1.41 1.00 0.88 0.00 0.00 111 H 8.52 5.02 0.00 3.03 3.14 0.00 5.97 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.47 0.00 2.23 2.05 0.00 3.67 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.13 0.00 113 W 9.16 3.90 0.00 3.49 3.32 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 0.00 114 A 8.31 4.27 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 0.00 115 E 7.93 4.22 0.00 2.10 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 2.33 2.34 0.00 116 L 7.42 3.96 0.00 1.63 1.02 0.63 0.25 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 0.00 117 I 6.98 3.52 1.18 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.95 0.95 0.00 0.00 118 N 7.71 4.59 0.00 3.09 3.06 0.00 0.00 7.03 6.55 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 0.00 119 L 7.39 3.94 0.00 1.84 1.56 0.60 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 *121 R 8.17 4.35 0.00 2.20 2.16 0.00 3.26 0.00 0.00 3.50 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 122 G 7.90 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 L 7.19 4.34 0.00 1.50 1.50 0.72 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 124 V 7.38 4.06 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 0.34 0.00 0.00 0.81 0.00 0.00 125 E 7.55 4.66 0.00 2.07 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 2.15 0.00 * Residues marked with a * may have inaccurate shift predictions.