NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Y 4.5996 8.1444 118.3753 57.4214 39.6475 175.0776 3 S 4.1204 8.5317 116.8538 57.6473 64.2809 173.6798 4 I 3.7396 9.1462 127.6394 64.3855 38.1684 177.7653 5 E 4.1367 8.1372 119.0247 59.3533 29.5381 179.2196 6 V 3.6916 7.8494 117.8534 65.8174 31.5828 178.2909 7 R 3.8653 7.9101 117.7793 59.6624 29.9079 179.0307 8 T 4.0419 8.2440 115.8143 66.9796 68.2878 176.1667 9 H 4.1672 8.7312 120.5704 59.4210 29.7212 177.5509 10 S 4.1457 8.0882 116.3259 61.4581 62.5016 176.3796 11 A 3.9166 8.0947 123.5285 54.9401 18.0143 179.3490 12 L 4.1828 7.6532 117.4713 58.7439 41.8582 179.6145 13 H 4.2378 7.8367 115.6356 58.7407 28.6179 178.2177 14 V 3.9559 7.6222 119.6125 66.1241 31.4884 178.0869 15 V 3.5052 8.5159 119.2452 65.7568 31.2727 177.7043 16 K 3.8549 8.5515 119.9297 59.4935 32.0013 178.8524 17 G 2.4353 7.7632 105.0714 46.6935 0.0000 175.4726 18 A 3.6539 7.6695 123.1738 54.6157 18.3193 179.8846 19 V 3.3588 7.6735 116.9746 66.1469 31.5738 178.5333 20 V 3.5846 7.5724 117.9427 65.6221 31.0486 178.1987 21 K 3.7725 7.4497 117.7045 59.1434 31.8991 179.1437 22 V 3.7295 7.4734 117.2742 65.5839 31.7514 177.5541 23 L 4.2911 7.9618 116.6012 54.5489 42.2453 176.9784 24 G 3.9040 7.9241 105.3867 44.1698 0.0000 174.3289 25 S 4.1330 8.3864 111.7311 60.6093 62.9749 176.0668 26 E 4.1873 8.2721 119.3331 58.2482 29.4684 177.0551 27 A 5.1336 7.8745 120.0386 50.9470 19.0773 177.7392 28 K 3.8440 7.6622 118.2556 59.0494 33.2603 176.9316 29 W 4.9181 7.7850 120.9423 55.4871 30.4227 174.9798 30 T 4.6075 8.6177 120.4959 63.5733 68.9596 174.7454 31 Y 4.4586 9.2408 127.9932 59.6032 40.1401 175.1953 32 S 4.5886 7.7743 110.8214 58.2051 66.0807 174.3869 33 T 5.4008 7.9707 115.7099 62.3912 72.4944 173.2640 34 Y 4.7972 8.9932 121.4882 56.4451 42.6996 174.4584 35 V 4.7955 8.4170 122.1843 61.1952 35.0089 174.6198 36 K 4.4993 8.8834 128.5643 55.4530 34.8915 176.8402 37 G 3.8737 9.6265 120.8198 47.0783 0.0000 173.3180 38 N 4.8803 8.7939 122.9866 51.5617 37.9287 173.8022 39 K 4.8293 8.0067 119.6709 55.1771 34.6913 175.7043 40 G 3.8630 8.4723 110.0978 44.2756 0.0000 171.5836 41 V 4.6320 8.8171 122.7069 60.6891 34.7488 173.8406 42 L 4.9197 8.8719 130.6943 53.5472 44.3547 174.8403 43 I 5.1869 8.8031 128.2482 59.7121 39.2546 175.3510 44 V 4.9407 8.9606 126.9664 59.4136 34.8566 174.7359 45 K 4.7128 9.2579 124.3512 56.5248 33.1095 175.6506 46 F 5.2548 9.3384 129.1542 57.7236 42.8858 173.1687 47 D 4.9467 6.9952 118.2946 52.8539 40.3571 175.4066 48 R 3.3249 6.2535 114.5984 54.3017 32.3202 174.0751 49 K 4.1270 7.6383 119.4281 54.2959 31.9297 174.3971 50 P 4.4995 0.0000 0.0000 62.9866 32.0877 177.0634 51 S 4.4972 9.0016 116.3498 57.9133 65.4637 175.2016 52 D 4.4129 8.5809 121.9332 57.6395 40.4744 179.0349 53 E 4.0406 8.0953 118.7336 59.2994 29.4982 178.9483 54 E 4.0129 8.1818 118.5693 59.2469 29.4720 179.3716 55 I 3.6875 7.8792 119.9627 64.4810 37.1420 178.5906 56 R 3.9495 7.9116 118.5858 59.3432 29.8456 179.0566 57 E 3.9883 8.1680 118.3360 59.3309 29.4261 179.2347 58 I 3.6615 7.9578 120.1317 64.4171 37.1151 177.8804 59 E 3.8757 8.2783 119.8572 59.5054 29.4345 178.2560 60 R 3.8304 8.3615 118.8358 59.7500 30.1439 177.7112 61 L 3.9743 8.5850 119.7050 58.5635 41.6813 179.2153 62 A 4.1820 8.3259 120.4239 55.3368 18.3762 179.3713 63 N 4.4059 8.3956 115.0480 56.1390 38.7225 177.6182 64 E 3.9560 8.4803 120.6991 59.0415 29.2957 179.1213 65 K 3.6068 7.5547 118.7561 58.7777 32.3833 178.9409 66 V 3.6033 7.1093 117.6993 65.9346 31.0833 178.2520 67 K 4.0272 7.9024 117.9283 58.9795 31.6382 178.6211 68 E 3.6061 7.8685 118.1039 56.4106 30.4844 175.5370 69 N 4.0661 7.2802 116.0946 54.7651 38.0277 173.6785 70 A 4.3458 8.4513 120.8893 51.1660 20.2574 176.7318 71 P 4.6806 0.0000 0.0000 62.8774 32.6906 176.7857 72 I 4.4061 8.0939 124.2717 59.7675 36.4320 175.2763 73 K 4.1544 8.7722 125.8645 56.3527 33.6421 176.1727 74 I 4.9634 8.0497 123.5766 59.7647 38.8271 174.3300 75 Y 4.3558 9.0557 124.6856 57.2835 39.7397 174.5826 76 E 5.1619 8.9130 123.1150 54.4705 31.7542 174.1900 77 L 5.0482 8.6876 126.5662 52.7443 44.8090 174.4370 78 P 4.6914 0.0000 0.0000 62.4220 32.0279 177.8662 79 R 4.0387 8.5215 119.9418 59.4910 29.9793 178.7543 80 E 4.0214 8.1906 117.0860 59.0227 29.5374 178.6324 81 E 4.1469 7.9856 118.1963 58.7836 29.9573 178.1924 82 A 4.1606 8.0656 120.2043 54.7535 18.7399 178.7398 83 E 4.1049 8.4397 118.2831 59.5031 29.4792 179.4824 84 K 4.0681 7.2631 114.5548 56.9968 33.1353 178.1374 *86 F 4.5771 8.1611 118.3493 55.8291 40.8080 176.6337 87 G 3.9810 7.9938 110.8116 44.3392 0.0000 174.0761 88 E 4.1321 8.7802 116.9233 59.2236 29.8138 178.7357 89 D 4.1772 7.1688 121.4704 53.8683 39.4736 174.8037 *91 Y 4.8542 7.4391 115.5455 58.4414 39.4392 173.4256 92 D 5.4876 8.4365 119.6911 52.4566 44.2114 176.1770 93 L 3.6718 8.7245 119.5243 57.5427 41.4661 177.9616 94 F 4.8712 7.5948 117.2061 54.8414 39.7346 173.9138 95 P 4.0409 0.0000 0.0000 62.4816 31.6932 176.4920 96 V 3.8031 7.9144 121.4828 60.6214 31.7953 174.0754 97 P 4.1821 0.0000 0.0000 62.4844 31.9876 176.3784 98 E 4.3578 8.5575 118.9229 57.3403 29.6142 177.4979 99 D 4.3855 7.9105 118.6058 55.5125 41.3352 176.2973 100 V 4.0746 7.2075 118.5089 61.7740 31.3659 175.3777 101 R 4.4871 8.4252 126.0335 56.4403 31.4155 175.8218 102 I 4.8916 7.5918 119.3763 59.1856 40.7844 174.1272 103 L 4.8335 9.1827 129.4435 52.9173 44.9819 175.6804 104 K 4.5940 8.6644 123.5490 54.9580 34.1769 174.5796 105 V 4.5758 8.6059 128.4846 59.9234 33.6041 175.1372 106 V 4.4098 8.7225 126.0950 61.9710 33.1900 174.7810 107 V 4.6964 9.1323 127.3269 61.3204 35.1838 174.2285 108 I 4.4563 8.4284 128.1397 59.0829 38.9149 173.2945 109 E 3.8361 8.4030 123.3450 56.4850 29.4966 176.8915 110 D 4.5088 8.9622 123.0929 54.7867 39.7946 173.5846 111 W 4.9939 8.2916 124.8710 57.6039 34.5869 173.7460 112 N 4.6650 7.6931 113.2604 52.6222 41.8038 172.8207 113 V 4.7204 8.2783 124.8729 61.1078 34.6024 174.0732 114 N 4.9321 9.0220 125.8070 51.8876 42.8780 172.9503 115 A 4.5773 8.7505 128.0066 52.4880 18.8695 176.1251 116 C 4.9113 9.0425 122.4463 58.5510 34.5896 173.6616 117 N 4.7846 9.0033 121.6292 52.5626 37.8030 174.9553 118 K 4.3276 7.7575 118.5713 55.7303 33.2077 175.9164 119 E 4.3601 8.4409 119.9876 56.4034 30.1189 176.2695 120 H 5.0178 8.5271 119.6743 53.6974 32.2374 173.7425 121 T 3.2237 7.7921 111.6254 60.8577 69.4454 175.1154 122 K 4.1238 8.1116 124.1899 58.9986 32.7568 176.8101 123 T 5.0808 7.3988 108.0657 58.9078 72.0112 174.7001 124 T 3.8787 9.2933 115.2861 65.1224 68.6833 176.8936 125 G 4.0491 7.9956 107.8670 46.8386 0.0000 174.6360 126 E 4.2661 7.6766 116.7133 57.2109 29.2382 178.3409 127 I 4.0480 7.5159 121.2519 62.7368 37.9970 177.1586 128 G 3.9743 7.2469 101.2995 43.7965 0.0000 170.9314 129 P 4.3925 0.0000 0.0000 63.4573 32.1109 175.4380 130 I 4.5571 9.4487 125.9679 59.4160 39.4570 175.1671 131 K 4.6936 8.7827 127.0118 54.6595 35.1337 174.8811 132 I 4.6282 9.3421 129.6338 61.3311 37.0694 176.0737 133 R 4.3045 9.0304 127.5508 58.2845 30.8283 177.0876 134 K 4.7253 7.8617 118.0155 54.8447 36.2909 174.9492 135 V 5.4771 8.3076 123.8576 60.3140 34.2977 174.1966 136 R 4.7141 8.8407 127.9577 54.4174 33.0491 173.6894 137 F 5.1300 8.9532 128.3289 56.7325 41.3242 175.0847 138 R 4.0150 8.2027 127.0875 54.4193 30.0176 177.1995 139 K 3.3053 8.3174 126.1186 59.3191 31.8167 177.5399 140 S 4.0054 7.5251 111.0269 61.9538 62.4532 175.2879 141 K 3.9410 7.6639 121.2478 57.2304 32.6485 177.0724 142 G 3.7288 7.9223 107.2013 46.9084 0.0000 172.8809 143 L 5.2131 7.2769 117.2379 52.3994 45.9854 176.2029 144 L 5.2690 9.4747 124.8953 53.4971 44.9195 174.7403 145 E 4.9410 9.6924 126.9724 55.1686 31.5785 175.1440 146 I 4.7191 8.8995 126.9985 60.0031 39.0576 174.1393 147 H 5.1883 9.6280 126.1536 54.6553 30.1603 174.8549 148 F 5.6475 8.5762 117.6350 55.5278 41.9668 173.1517 149 E 5.2554 9.6563 117.6359 54.6464 32.9144 175.2195 150 L 4.6454 8.9124 122.7913 54.4553 42.7989 177.1760 151 L 4.8403 7.6647 119.2171 52.3165 40.5866 176.8563 152 E 4.2190 7.7987 122.3675 56.6186 29.4757 174.4182 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 Y 8.14 4.60 0.00 2.95 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 3 S 8.53 4.12 0.00 4.02 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 4 I 9.15 3.74 1.91 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 1.68 1.76 0.94 0.00 0.00 5 E 8.14 4.14 0.00 2.09 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 2.67 2.39 0.00 6 V 7.85 3.69 2.29 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 1.19 0.00 0.00 1.02 0.00 0.00 7 R 7.91 3.87 0.00 2.18 1.98 0.00 3.41 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.81 0.00 8 T 8.24 4.04 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 1.33 0.00 0.00 9 H 8.73 4.17 0.00 3.24 3.45 0.00 5.78 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 10 S 8.09 4.15 0.00 4.05 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 11 A 8.09 3.92 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 12 L 7.65 4.18 0.00 1.83 1.65 0.88 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 13 H 7.84 4.24 0.00 3.35 3.41 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.62 3.96 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 1.06 0.00 0.00 0.88 0.00 0.00 15 V 8.52 3.51 1.81 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 0.92 0.00 0.00 0.22 0.00 0.00 16 K 8.55 3.85 0.00 1.87 1.89 0.00 1.48 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.35 7.81 17 G 7.76 2.44 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 0.00 0.00 0.00 18 A 7.67 3.65 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.67 3.36 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 0.83 0.00 0.00 0.88 0.00 0.00 20 V 7.57 3.58 1.74 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 0.76 0.00 0.00 0.69 0.00 0.00 21 K 7.45 3.77 0.00 1.65 1.72 0.00 1.70 0.00 0.00 1.46 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.96 0.96 7.81 22 V 7.47 3.73 2.05 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 0.83 0.00 0.00 0.95 0.00 0.00 23 L 7.96 4.29 0.00 1.39 1.27 0.24 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.92 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 0.00 0.00 0.00 25 S 8.39 4.13 0.00 3.96 4.08 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 26 E 8.27 4.19 0.00 2.23 2.19 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 2.38 2.30 0.00 27 A 7.87 5.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.66 3.84 0.00 1.37 1.71 0.00 1.53 0.00 0.00 1.44 0.00 0.00 2.35 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.50 0.21 7.81 29 W 7.79 4.92 0.00 3.49 3.13 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 30 T 8.62 4.61 4.51 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 0.00 0.00 1.31 0.00 0.00 31 Y 9.24 4.46 0.00 2.96 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 32 S 7.77 4.59 0.00 3.65 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 33 T 7.97 5.40 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 1.20 0.00 0.00 34 Y 8.99 4.80 0.00 2.85 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.42 4.80 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 0.81 0.00 0.00 0.99 0.00 0.00 36 K 8.88 4.50 0.00 1.83 1.61 0.00 1.86 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.42 7.81 37 G 9.63 3.87 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 0.00 0.00 0.00 38 N 8.79 4.88 0.00 2.91 3.08 0.00 0.00 6.65 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 39 K 8.01 4.83 0.00 1.75 1.65 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.50 7.81 40 G 8.47 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 0.00 0.00 0.00 41 V 8.82 4.63 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 0.67 0.00 0.00 0.80 0.00 0.00 42 L 8.87 4.92 0.00 2.02 1.69 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 43 I 8.80 5.19 2.21 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.62 1.08 0.00 0.00 44 V 8.96 4.94 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 0.78 0.00 0.00 1.04 0.00 0.00 45 K 9.26 4.71 0.00 1.96 1.94 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.57 1.46 7.81 46 F 9.34 5.25 0.00 3.05 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 7.00 4.95 0.00 2.59 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 48 R 6.25 3.32 0.00 1.53 1.51 0.00 2.90 0.00 0.00 2.87 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.50 0.00 49 K 7.64 4.13 0.00 1.69 1.69 0.00 1.78 0.00 0.00 1.87 0.00 0.00 3.18 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.53 7.81 50 P 0.00 4.50 0.00 2.08 1.97 0.00 3.78 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 51 S 9.00 4.50 0.00 4.04 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 52 D 8.58 4.41 0.00 2.75 2.77 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 53 E 8.10 4.04 0.00 1.98 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 2.40 2.34 0.00 54 E 8.18 4.01 0.00 2.14 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 55 I 7.88 3.69 2.03 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 1.82 0.95 0.93 0.00 0.00 56 R 7.91 3.95 0.00 2.08 1.99 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.95 0.00 57 E 8.17 3.99 0.00 2.20 1.98 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 2.33 2.49 0.00 58 I 7.96 3.66 2.02 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 1.33 0.79 0.87 0.00 0.00 59 E 8.28 3.88 0.00 2.05 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 0.00 2.31 2.33 0.00 60 R 8.36 3.83 0.00 1.89 2.07 0.00 3.18 0.00 0.00 3.10 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 61 L 8.58 3.97 0.00 2.15 1.87 1.05 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.33 4.18 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 63 N 8.40 4.41 0.00 2.86 2.85 0.00 0.00 7.04 7.91 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 64 E 8.48 3.96 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.45 0.00 65 K 7.55 3.61 0.00 0.79 1.52 0.00 1.12 0.00 0.00 1.18 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.98 7.81 66 V 7.11 3.60 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 0.95 0.00 0.00 0.93 0.00 0.00 67 K 7.90 4.03 0.00 1.93 1.80 0.00 1.68 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.54 7.81 68 E 7.87 3.61 0.00 1.96 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 2.22 2.23 0.00 69 N 7.28 4.07 0.00 2.72 2.73 0.00 0.00 7.13 7.84 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 70 A 8.45 4.35 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 P 0.00 4.68 0.00 2.09 2.04 0.00 3.72 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 1.99 1.99 0.00 72 I 8.09 4.41 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 1.19 0.56 0.89 0.00 0.00 73 K 8.77 4.15 0.00 2.01 1.84 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.49 7.81 74 I 8.05 4.96 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.72 0.88 0.00 0.00 75 Y 9.06 4.36 0.00 3.09 3.04 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 76 E 8.91 5.16 0.00 1.96 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 2.21 2.31 0.00 77 L 8.69 5.05 0.00 1.85 1.81 1.14 0.98 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 78 P 0.00 4.69 0.00 2.43 2.01 0.00 3.64 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 2.14 2.10 0.00 79 R 8.52 4.04 0.00 1.99 1.99 0.00 3.16 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.80 0.00 80 E 8.19 4.02 0.00 2.30 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 81 E 7.99 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 2.31 2.31 0.00 82 A 8.07 4.16 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 0.00 0.00 0.00 0.00 0.00 83 E 8.44 4.10 0.00 2.46 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 2.39 2.52 0.00 84 K 7.26 4.07 0.00 1.79 1.75 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.60 7.81 *86 F 8.16 4.58 0.00 2.98 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 87 G 7.99 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 88 E 8.78 4.13 0.00 2.19 2.50 0.00 0.00 0.00 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 2.50 0.00 89 D 7.17 4.18 0.00 2.51 2.52 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 *91 Y 7.44 4.85 0.00 3.44 3.04 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 92 D 8.44 5.49 0.00 2.74 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 L 8.72 3.67 0.00 1.61 0.91 0.87 0.67 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 94 F 7.59 4.87 0.00 3.02 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 95 P 0.00 4.04 0.00 1.96 1.74 0.00 3.81 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 1.94 1.89 0.00 96 V 7.91 3.80 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.97 0.00 0.00 97 P 0.00 4.18 0.00 2.18 2.03 0.00 3.58 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 98 E 8.56 4.36 0.00 1.95 1.98 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 2.28 2.26 0.00 99 D 7.91 4.39 0.00 2.67 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 0.00 100 V 7.21 4.07 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 0.80 0.00 0.00 1.02 0.00 0.00 101 R 8.43 4.49 0.00 1.80 1.96 0.00 3.30 0.00 0.00 3.28 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 102 I 7.59 4.89 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.18 0.94 0.00 0.00 103 L 9.18 4.83 0.00 1.73 1.61 1.03 0.45 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 0.00 104 K 8.66 4.59 0.00 1.84 1.87 0.00 1.71 0.00 0.00 1.88 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.42 7.81 105 V 8.61 4.58 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 0.66 0.00 0.00 0.13 0.00 0.00 106 V 8.72 4.41 2.05 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 0.81 0.00 0.00 0.69 0.00 0.00 107 V 9.13 4.70 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.52 0.00 0.00 108 I 8.43 4.46 2.03 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.71 0.88 0.00 0.00 109 E 8.40 3.84 0.00 2.00 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 0.00 2.38 2.35 0.00 110 D 8.96 4.51 0.00 2.82 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 0.00 111 W 8.29 4.99 0.00 3.47 3.12 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 0.00 0.00 0.00 112 N 7.69 4.67 0.00 2.69 2.70 0.00 0.00 6.49 7.71 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 0.00 113 V 8.28 4.72 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 0.27 0.00 0.00 0.81 0.00 0.00 114 N 9.02 4.93 0.00 2.78 2.68 0.00 0.00 6.68 9.02 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 0.00 115 A 8.75 4.58 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 0.00 116 C 9.04 4.91 0.00 3.29 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 0.00 117 N 9.00 4.78 0.00 2.85 2.92 0.00 0.00 6.21 7.13 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 0.00 118 K 7.76 4.33 0.00 1.68 1.62 0.00 1.68 0.00 0.00 1.52 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.44 7.81 119 E 8.44 4.36 0.00 1.99 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 2.37 2.37 0.00 120 H 8.53 5.02 0.00 3.01 3.15 0.00 5.89 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 T 7.79 3.22 3.54 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 0.00 0.00 0.00 0.00 0.88 0.00 0.00 122 K 8.11 4.12 0.00 1.87 2.03 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.57 7.81 123 T 7.40 5.08 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 1.20 0.00 0.00 124 T 9.29 3.88 4.15 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 1.07 0.00 0.00 125 G 8.00 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 0.00 126 E 7.68 4.27 0.00 1.91 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 2.41 2.35 0.00 127 I 7.52 4.05 1.92 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.53 0.89 0.00 0.00 128 G 7.25 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 4.39 0.00 2.09 2.04 0.00 3.57 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 130 I 9.45 4.56 1.80 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.69 0.75 0.00 0.00 131 K 8.78 4.69 0.00 1.82 1.67 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.55 7.81 132 I 9.34 4.63 2.01 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 0.80 1.03 0.00 0.00 133 R 9.03 4.30 0.00 1.72 1.99 0.00 3.31 0.00 0.00 3.18 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 134 K 7.86 4.73 0.00 1.75 1.50 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.43 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.39 1.43 7.81 135 V 8.31 5.48 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 1.10 0.00 0.00 0.99 0.00 0.00 136 R 8.84 4.71 0.00 1.95 1.77 0.00 3.18 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 137 F 8.95 5.13 0.00 3.11 3.01 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 0.00 138 R 8.20 4.02 0.00 1.55 1.68 0.00 3.51 0.00 0.00 2.98 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.45 0.00 139 K 8.32 3.31 0.00 1.70 1.79 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.45 1.61 7.81 140 S 7.53 4.01 0.00 3.80 3.72 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 0.00 141 K 7.66 3.94 0.00 1.59 1.63 0.00 1.75 0.00 0.00 1.43 0.00 0.00 3.02 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.34 7.81 142 G 7.92 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 0.00 143 L 7.28 5.21 0.00 1.40 1.43 -0.22 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 144 L 9.47 5.27 0.00 2.06 1.64 1.21 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 145 E 9.69 4.94 0.00 2.13 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 2.28 2.30 0.00 146 I 8.90 4.72 2.00 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 1.27 1.28 1.03 0.00 0.00 147 H 9.63 5.19 0.00 3.22 3.20 0.00 5.58 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 F 8.58 5.65 0.00 3.21 3.13 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 0.00 149 E 9.66 5.26 0.00 2.11 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 2.23 2.32 0.00 150 L 8.91 4.65 0.00 1.62 1.71 1.09 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 151 L 7.66 4.84 0.00 1.45 1.60 1.04 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 152 E 7.80 4.22 0.00 1.88 1.77 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 2.22 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.