NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.7189 8.1400 114.8008 57.7444 64.6415 174.1757 2 L 4.0327 8.7231 123.3454 58.0691 41.7797 177.8827 3 L 4.0529 8.7727 119.8424 57.8602 41.9666 178.7547 4 E 4.0508 8.0607 118.5753 59.3405 29.2954 179.0732 5 F 4.6979 8.8542 121.2311 61.4689 39.4684 177.4294 6 G 3.4943 8.4781 105.5009 47.5866 0.0000 175.6590 7 K 4.0178 8.2762 122.1082 59.3807 32.2242 178.5520 8 M 4.3261 8.5208 118.8563 58.7553 32.0675 178.1416 9 I 3.6286 7.8870 120.0619 64.3408 37.2483 178.1022 10 L 4.2613 7.8254 122.2467 57.7008 41.7008 178.6909 11 E 4.0086 8.3416 117.6553 59.5903 29.5035 179.0997 12 E 4.1484 8.2884 117.5087 59.1795 29.7403 178.6255 13 T 4.4468 8.2350 107.3169 60.8602 70.2954 175.8201 14 G 3.8062 8.3022 110.0288 45.6801 0.0000 173.1108 *16 K 4.2783 7.4748 117.9974 55.8038 33.4699 175.1422 17 L 4.0729 8.2400 122.9029 54.5008 42.5002 177.7555 18 A 4.0014 8.9362 126.9290 54.8696 18.5307 177.0381 19 I 4.6125 7.6520 116.4478 59.5710 38.0415 173.6551 20 P 4.8763 0.0000 0.0000 62.5603 31.6035 176.3720 21 S 4.2500 8.1456 117.2825 61.2508 62.5494 174.6761 22 Y 4.6677 8.3264 116.3636 57.7876 40.0488 177.6689 23 S 4.2532 8.2018 114.2527 60.3080 63.6403 174.9257 24 S 4.8802 7.8471 116.3918 58.0548 63.5963 172.4872 25 Y 4.7857 8.0411 122.8836 58.5677 40.0998 175.3337 26 G 3.3989 8.0870 116.8125 47.0895 0.0000 173.1367 27 C 4.4714 9.4006 115.4447 57.7604 40.9771 174.4507 28 Y 4.5049 8.9404 114.7285 57.4912 39.1335 174.7647 29 C 4.7408 8.4776 119.8249 57.4243 41.2793 172.7649 30 G 4.2967 9.5152 110.9724 45.6166 0.0000 171.7742 31 W 4.0360 8.0306 121.6408 59.6731 32.2316 180.6809 32 G 3.4772 7.6852 114.9029 46.2916 0.0000 172.6030 33 G 4.2039 7.8943 108.6563 45.0800 0.0000 172.4391 34 K 4.4825 7.8686 123.3169 56.6041 35.3661 176.3223 35 G 4.1386 8.4205 108.3359 44.7267 0.0000 172.6380 36 T 4.2395 8.2359 116.0079 61.7350 69.0121 173.5924 37 P 4.5960 0.0000 0.0000 62.9384 32.0333 176.6489 38 K 3.7276 8.7789 122.1201 59.1313 32.0922 176.7971 39 D 4.5052 7.5082 115.9779 51.0921 43.0948 175.4005 40 A 3.9956 8.6890 120.4643 56.0741 17.9117 179.7833 41 T 4.0276 8.1056 113.2969 67.0323 68.5365 176.1991 42 D 4.6152 8.9765 120.1414 57.5176 41.1314 178.5220 43 R 3.9622 8.3907 118.9932 59.1636 29.9547 178.2373 44 C 4.1786 8.2679 116.5768 60.3656 39.1351 175.6113 45 C 4.3396 8.1921 117.9525 59.7021 40.8996 175.7606 46 F 3.5783 8.4952 122.5987 61.3349 38.8739 177.3961 47 V 3.4111 8.0930 117.9059 66.1620 31.2342 177.4351 48 H 3.8664 8.2613 118.0737 59.1030 29.5543 177.0255 49 D 4.1306 8.1855 121.0724 57.5195 40.7106 178.0923 50 C 4.0283 7.8090 117.0347 59.8953 39.8709 175.3470 51 C 4.1119 7.9482 119.5138 60.0197 44.1429 175.0314 52 Y 4.3561 8.0218 118.4784 61.0185 37.1754 178.7334 53 G 3.5853 8.0967 106.0839 47.4112 0.0000 174.5502 54 N 4.6245 7.9316 116.9602 54.1170 40.3539 175.0392 55 L 4.7090 7.4786 119.4320 52.4171 41.7395 173.9208 56 P 4.1450 0.0000 0.0000 65.6402 32.0604 178.3598 *59 D 4.8163 7.8444 114.2686 54.3474 42.7149 175.5538 *61 C 5.1589 7.5554 116.1548 57.2379 41.5889 172.7163 *67 N 5.0999 7.9491 116.4900 52.7842 38.1516 173.5966 68 P 3.9949 0.0000 0.0000 64.8899 32.0944 179.2263 69 K 4.1549 8.0486 117.8631 58.3099 32.2701 178.5359 70 S 4.4725 7.7571 111.0045 58.5052 65.0406 174.0786 71 D 4.3932 8.2423 121.5317 54.0613 41.3329 175.3602 72 R 4.5176 8.4253 125.7727 54.9564 31.5112 175.0557 73 Y 4.9621 7.7727 119.2781 55.0017 41.1390 174.6360 74 K 5.0018 8.5823 118.7705 54.9877 35.3275 174.9809 75 Y 5.4995 8.3202 120.3567 55.6895 41.6236 173.2567 76 K 4.7003 9.2073 118.7788 55.3358 36.9668 174.5941 77 R 5.0038 8.5543 118.3415 54.6446 32.4343 176.7604 78 V 4.0306 9.1282 125.2261 61.7026 31.1569 175.9012 79 N 4.3741 8.5223 125.1910 52.7426 37.1634 174.6951 80 G 3.7316 8.7659 106.9091 48.0397 0.0000 173.5367 81 A 4.2691 7.9405 124.4086 51.6354 19.2921 176.4950 82 I 4.6171 8.2127 123.2040 60.8737 38.3406 175.6015 83 V 4.3338 8.8503 127.3517 60.9196 33.8128 174.0067 84 C 4.8002 8.8701 126.3446 57.3188 40.5093 173.6327 85 E 4.6357 9.0496 123.8027 54.7546 31.0900 176.1600 86 K 4.1340 8.4811 123.3779 56.4069 33.4262 175.2753 *88 G 4.2662 8.2915 115.6810 45.3227 0.0000 172.5197 89 T 4.2497 9.1736 115.7366 60.9289 71.0847 175.8694 90 S 4.0792 8.4619 116.0277 61.7866 62.9010 177.0574 91 C 4.2156 8.1559 119.7052 59.7448 40.1902 175.6771 92 E 4.0095 8.0874 119.8822 59.6735 29.0917 179.2648 93 N 4.2812 8.3591 116.4391 56.4580 38.5934 177.7980 94 R 3.8901 8.0999 119.4161 59.1060 30.1049 179.1125 95 I 3.6205 8.0953 120.1077 64.4846 37.1285 177.5283 96 C 2.9349 7.9892 119.3994 59.4168 41.3876 175.5642 97 E 3.8259 7.9673 120.0420 59.3494 29.0572 178.6898 98 C 4.1565 8.0227 116.6389 60.1203 40.8760 175.9748 99 D 3.8213 8.0124 120.4587 56.8869 40.3851 178.5111 100 K 3.6832 8.2556 120.3368 59.5587 32.0527 178.4958 101 A 3.8691 7.8252 120.5547 55.1657 18.2587 179.5229 102 A 3.4679 7.7639 118.7572 54.9209 18.3912 179.7376 103 A 3.9287 8.1458 119.4937 55.3474 18.4000 179.9243 104 I 3.6226 7.7455 118.3324 64.5886 36.9301 177.8204 105 C 4.1651 7.9299 118.4811 59.6709 38.4557 175.2937 106 F 4.5647 8.0854 119.7618 60.6624 37.9655 177.5948 107 R 3.9555 8.1380 118.3463 59.5391 29.6995 178.3469 108 Q 4.1990 8.3264 118.0945 58.0338 29.2351 176.2794 109 N 5.3116 7.6582 115.1095 52.0393 39.5291 176.2564 110 L 4.1951 7.8513 121.0666 57.7360 42.0372 179.0744 111 N 4.5615 8.3456 115.4831 54.8548 37.3404 175.8218 112 T 4.7324 7.9037 106.9326 60.8166 69.8391 173.4400 113 Y 4.1440 7.7427 123.8496 58.5101 39.2804 175.6870 114 S 4.6721 8.6711 122.0710 56.3986 65.9084 175.2287 115 K 3.9710 8.8993 125.6951 59.1845 31.9982 179.0786 116 K 3.8970 7.7619 116.4944 59.0086 32.5320 176.8832 117 Y 4.4772 7.4678 116.8495 58.0752 38.3036 175.4409 118 M 4.4403 7.6653 120.7436 56.3342 32.5171 175.9393 119 L 3.7196 8.3952 121.1302 55.6855 40.0166 174.5865 120 Y 4.1539 8.1724 119.0426 56.6766 39.6908 173.5396 121 P 4.3860 0.0000 0.0000 62.4155 32.4447 176.5496 122 D 4.2339 9.0044 121.8762 57.2656 41.1974 177.9442 *124 F 4.8246 7.8315 111.1497 56.4026 39.5347 175.2397 125 L 3.8313 6.8407 119.3960 55.1556 41.7591 177.1268 126 C 4.5706 7.6600 118.7522 55.4371 38.4424 172.7941 127 K 4.3627 7.7306 123.9968 55.6031 34.1520 176.3817 128 G 4.0692 9.6737 109.0399 44.8192 0.0000 171.8777 129 E 5.0223 8.0002 115.7791 55.0475 33.5223 174.7255 130 L 4.4826 8.2019 121.1814 53.9115 44.7383 175.3978 131 K 4.4048 8.4248 124.5537 55.3063 34.1865 177.4294 *133 C 4.8196 8.4032 115.7092 57.6098 41.5326 174.1821 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 S 8.14 4.72 0.00 4.13 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 0.00 2 L 8.72 4.03 0.00 1.93 1.83 1.23 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.77 4.05 0.00 1.76 1.73 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.06 4.05 0.00 1.93 1.90 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 2.24 2.23 0.00 5 F 8.85 4.70 0.00 3.45 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 6 G 8.48 3.49 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 0.00 7 K 8.28 4.02 0.00 1.91 2.07 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.50 7.81 8 M 8.52 4.33 0.00 2.37 2.22 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 9 I 7.89 3.63 1.83 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.22 0.63 0.00 0.00 10 L 7.83 4.26 0.00 1.77 1.83 0.96 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.34 4.01 0.00 2.22 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 2.42 2.60 0.00 12 E 8.29 4.15 0.00 2.12 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 0.00 2.53 2.46 0.00 13 T 8.23 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 1.31 0.00 0.00 14 G 8.30 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *16 K 7.47 4.28 0.00 1.86 1.63 0.00 1.41 0.00 0.00 0.82 0.00 0.00 2.46 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.15 1.23 7.81 17 L 8.24 4.07 0.00 1.68 1.77 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.94 4.00 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 19 I 7.65 4.61 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.69 0.94 0.00 0.00 20 P 0.00 4.88 0.00 2.18 2.13 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.96 0.00 21 S 8.15 4.25 0.00 3.85 3.26 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 22 Y 8.33 4.67 0.00 2.89 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.20 4.25 0.00 4.11 4.21 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 24 S 7.85 4.88 0.00 3.90 4.13 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 0.00 0.00 0.00 25 Y 8.04 4.79 0.00 3.01 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 26 G 8.09 3.40 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 27 C 9.40 4.47 0.00 2.68 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 28 Y 8.94 4.50 0.00 3.32 3.08 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 0.00 0.00 0.00 29 C 8.48 4.74 0.00 3.51 3.41 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 30 G 9.52 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 0.00 0.00 0.00 0.00 31 W 8.03 4.04 0.00 3.26 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 32 G 7.69 3.48 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 0.00 33 G 7.89 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 0.00 0.00 0.00 0.00 34 K 7.87 4.48 0.00 1.82 1.69 0.00 1.60 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.18 1.52 7.81 35 G 8.42 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 0.00 0.00 0.00 0.00 36 T 8.24 4.24 4.21 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 1.14 0.00 0.00 37 P 0.00 4.60 0.00 1.95 2.09 0.00 3.50 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 2.19 0.00 38 K 8.78 3.73 0.00 0.79 0.74 0.00 0.61 0.00 0.00 1.09 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.78 0.21 7.81 39 D 7.51 4.51 0.00 2.88 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 40 A 8.69 4.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.11 4.03 4.43 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 0.96 0.00 0.00 42 D 8.98 4.62 0.00 2.97 2.80 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 43 R 8.39 3.96 0.00 2.07 1.95 0.00 3.11 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.79 0.00 44 C 8.27 4.18 0.00 3.21 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 45 C 8.19 4.34 0.00 3.36 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.50 3.58 0.00 2.57 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 47 V 8.09 3.41 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 0.92 0.00 0.00 1.05 0.00 0.00 48 H 8.26 3.87 0.00 3.12 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.19 4.13 0.00 2.69 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 50 C 7.81 4.03 0.00 2.86 2.92 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 51 C 7.95 4.11 0.00 2.93 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 52 Y 8.02 4.36 0.00 3.04 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 53 G 8.10 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 N 7.93 4.62 0.00 2.70 2.99 0.00 0.00 6.99 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 55 L 7.48 4.71 0.00 1.64 1.50 0.87 1.14 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 56 P 0.00 4.15 0.00 2.20 2.10 0.00 3.72 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 *59 D 7.84 4.82 0.00 2.71 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *61 C 7.56 5.16 0.00 3.00 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 *67 N 7.95 5.10 0.00 2.82 2.79 0.00 0.00 7.62 8.03 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 68 P 0.00 3.99 0.00 0.99 0.52 0.00 3.37 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.52 0.00 69 K 8.05 4.15 0.00 1.84 1.91 0.00 1.69 0.00 0.00 1.95 0.00 0.00 3.09 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.66 1.50 7.81 70 S 7.76 4.47 0.00 3.94 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.24 4.39 0.00 2.72 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 72 R 8.43 4.52 0.00 1.80 1.85 0.00 3.17 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 73 Y 7.77 4.96 0.00 3.08 3.07 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 0.00 0.00 0.00 74 K 8.58 5.00 0.00 1.75 1.90 0.00 1.63 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.36 7.81 75 Y 8.32 5.50 0.00 3.11 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 76 K 9.21 4.70 0.00 1.80 1.93 0.00 1.27 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.43 7.81 77 R 8.55 5.00 0.00 1.71 2.10 0.00 3.42 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 78 V 9.13 4.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.95 0.00 0.00 79 N 8.52 4.37 0.00 2.92 2.87 0.00 0.00 7.13 7.65 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 80 G 8.77 3.73 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 0.00 0.00 0.00 81 A 7.94 4.27 1.28 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 82 I 8.21 4.62 1.83 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 1.29 0.61 0.74 0.00 0.00 83 V 8.85 4.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.96 0.00 0.00 84 C 8.87 4.80 0.00 2.97 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 9.05 4.64 0.00 2.04 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 2.33 2.47 0.00 86 K 8.48 4.13 0.00 1.80 1.71 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.44 7.81 *88 G 8.29 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 89 T 9.17 4.25 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 1.22 0.00 0.00 90 S 8.46 4.08 0.00 4.05 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 0.00 91 C 8.16 4.22 0.00 2.98 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.09 4.01 0.00 2.34 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 0.00 2.56 2.56 0.00 93 N 8.36 4.28 0.00 2.83 2.84 0.00 0.00 7.10 8.07 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 94 R 8.10 3.89 0.00 1.81 1.92 0.00 3.10 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 95 I 8.10 3.62 2.01 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 1.18 0.62 0.94 0.00 0.00 96 C 7.99 2.93 0.00 2.21 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 97 E 7.97 3.83 0.00 2.07 1.89 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 2.42 2.42 0.00 98 C 8.02 4.16 0.00 3.17 2.92 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 99 D 8.01 3.82 0.00 2.69 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 0.00 100 K 8.26 3.68 0.00 1.60 1.87 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.37 7.81 101 A 7.83 3.87 1.28 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 0.00 102 A 7.76 3.47 1.05 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 0.00 103 A 8.15 3.93 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 0.00 104 I 7.75 3.62 1.93 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 1.38 0.63 0.87 0.00 0.00 105 C 7.93 4.17 0.00 2.89 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 0.00 106 F 8.09 4.56 0.00 3.00 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.14 3.96 0.00 1.97 2.13 0.00 3.17 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 108 Q 8.33 4.20 0.00 2.19 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.93 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 109 N 7.66 5.31 0.00 3.02 2.86 0.00 0.00 7.18 6.30 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 0.00 110 L 7.85 4.20 0.00 1.80 1.76 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.35 4.56 0.00 2.91 3.12 0.00 0.00 5.79 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 0.00 112 T 7.90 4.73 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 1.27 0.00 0.00 113 Y 7.74 4.14 0.00 2.92 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.67 4.67 0.00 3.77 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.90 3.97 0.00 1.83 1.90 0.00 1.72 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.73 1.62 7.81 116 K 7.76 3.90 0.00 1.62 1.72 0.00 1.22 0.00 0.00 1.42 0.00 0.00 2.55 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.72 0.27 7.81 117 Y 7.47 4.48 0.00 1.73 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 0.00 0.00 0.00 0.00 118 M 7.67 4.44 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.69 0.00 119 L 8.40 3.72 0.00 1.85 1.78 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 8.17 4.15 0.00 3.05 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 0.00 121 P 0.00 4.39 0.00 2.40 2.22 0.00 2.75 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.83 0.00 122 D 9.00 4.23 0.00 2.80 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 *124 F 7.83 4.82 0.00 3.22 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 0.00 125 L 6.84 3.83 0.00 1.08 1.47 0.44 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 126 C 7.66 4.57 0.00 3.10 3.18 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 0.00 127 K 7.73 4.36 0.00 1.79 1.64 0.00 1.58 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.48 7.81 128 G 9.67 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.00 5.02 0.00 1.92 1.82 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 2.23 2.26 0.00 130 L 8.20 4.48 0.00 1.37 1.35 0.74 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.42 4.40 0.00 1.88 1.77 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.47 7.81 *133 C 8.40 4.82 0.00 2.94 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 * Residues marked with a * may have inaccurate shift predictions.