NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 L 4.3077 8.1693 120.9887 56.0113 41.4946 176.0926 22 T 4.1069 8.3435 108.7474 60.0920 71.1792 172.8918 23 P 4.2230 0.0000 0.0000 65.9985 31.9680 179.4990 24 A 3.9916 8.0837 118.5454 55.4857 17.9639 179.3172 25 E 3.8544 8.0685 115.0618 60.1996 29.8952 178.6998 26 L 3.6322 8.7086 119.0458 58.6148 41.9841 178.7905 27 I 3.5912 8.1514 118.7076 64.7879 37.2554 177.6444 28 E 3.9103 7.7247 117.7030 59.5398 29.5135 178.7768 29 R 3.9845 8.3001 118.7913 59.3217 30.1443 177.9568 30 L 3.7274 7.8576 119.6639 58.4203 41.7767 178.4323 31 E 4.3288 8.1378 115.9405 58.2406 29.3781 178.6464 32 Q 4.2629 8.4020 118.4357 58.3986 29.5725 177.6902 33 A 4.1621 7.8307 120.8487 54.3277 17.9360 178.3018 34 W 4.5111 8.0851 126.2316 58.5327 30.9561 177.2338 *36 N 4.5542 8.1610 115.2263 53.5986 39.6118 176.0792 37 E 4.1878 7.9606 115.9289 57.7172 29.6848 176.8159 38 K 4.3797 7.5175 117.3749 56.9494 32.9389 176.1568 39 F 4.4715 8.3229 114.4872 57.5473 41.2985 174.9851 40 A 4.3720 7.9431 124.9973 50.2339 19.0456 176.0554 41 P 4.4041 0.0000 0.0000 63.4072 31.0720 175.8942 42 E 4.5590 7.6094 115.5633 54.4489 32.4577 174.2108 43 L 4.0737 8.4613 124.4811 54.4886 40.8515 176.2543 44 L 4.1230 8.1870 123.0525 53.8077 42.5206 177.1035 45 E 4.1652 8.4537 118.2402 55.9540 29.8121 177.3207 46 S 4.2841 8.6186 117.8621 58.3978 63.7615 174.7432 47 K 4.6977 8.4708 127.2537 54.4705 31.7923 175.3778 48 P 4.4232 0.0000 0.0000 65.3954 31.4994 177.2353 49 E 4.2877 8.3339 119.2813 58.2903 29.8038 178.0532 50 I 3.6954 7.6981 119.2671 64.8774 37.1139 178.4696 51 V 3.6452 7.6795 117.7803 66.0382 31.7594 177.6830 52 E 4.1221 7.7848 116.1754 59.2848 29.5843 178.6930 53 C 4.3061 8.5063 118.5050 62.5929 28.4333 178.4777 54 V 3.8421 7.5374 114.9024 60.9961 31.5863 178.2804 *56 E 4.8602 8.1355 119.5507 56.5233 31.3582 177.1420 57 Q 3.9656 8.7358 118.2660 59.3420 29.0435 178.0051 58 L 4.0913 7.8917 119.0289 57.7124 41.8931 178.6208 59 E 4.0981 8.2626 116.8586 60.0998 29.0000 178.4820 60 H 3.9826 8.1348 115.3341 57.5760 29.7563 175.8721 *62 E 4.1416 8.0416 120.4003 56.0093 30.7525 175.8917 63 E 4.0927 7.3550 120.6010 58.0452 30.1888 177.8937 64 N 4.2063 8.0096 119.8273 55.9954 39.2038 176.4740 65 L 4.1106 7.8398 118.9751 57.4975 42.3791 176.8667 66 R 4.2874 7.9096 117.9047 54.9398 31.3188 174.1789 *71 E 4.1773 7.7821 122.3396 54.1432 32.4592 180.0821 72 D 3.6230 6.8524 110.2006 53.4753 42.7265 177.9846 73 L 3.9047 8.6117 123.6051 58.7791 42.5378 178.0178 74 K 3.8454 7.9520 117.4989 59.6636 32.4181 178.0986 75 V 3.7259 7.9830 118.4175 66.3106 30.8704 177.5369 76 S 4.0721 8.1982 112.4493 61.9519 61.9496 176.5992 77 I 3.7370 7.6008 120.7282 64.6959 36.8351 177.8822 78 H 4.4562 8.2518 116.7534 58.5271 28.5709 178.1961 79 Q 4.2213 7.4474 116.8960 55.9466 28.9162 176.2251 *81 E 4.0545 8.1145 118.8225 56.2056 31.0824 177.0408 *83 E 4.3646 8.0928 117.7698 55.6864 31.9087 178.3729 84 R 4.1126 7.8679 117.3932 58.6302 30.6237 178.4846 85 I 3.6387 7.5777 119.3536 64.4199 37.0003 178.6350 86 R 3.8235 7.9642 118.2187 59.3864 30.0828 178.0120 87 Y 4.1027 7.8454 119.3113 60.9690 38.6635 178.8525 88 V 2.3440 7.4923 118.6828 65.3211 31.5544 177.4327 89 L 3.9383 7.3999 119.6205 58.5714 41.8429 179.1162 90 S 4.0349 8.2545 115.1061 61.6330 62.6389 176.3241 91 S 4.1453 7.9592 115.4223 62.5215 62.1324 175.1963 92 Y 4.6647 8.5532 122.8133 60.2951 38.4303 177.4673 93 L 3.5221 8.4323 119.7053 57.8585 41.7659 179.8105 94 R 3.7823 8.3553 118.0306 59.3092 29.9915 177.7705 95 C 4.2464 8.0245 118.2805 61.9877 31.7714 175.5204 96 R 4.0468 7.5410 119.3019 58.9876 29.7910 180.1846 97 L 4.1242 7.8351 118.1645 54.8031 41.5706 179.6130 *99 K 4.2432 8.0595 119.4897 56.5324 34.2836 178.3314 100 I 3.8436 8.0655 113.0792 64.3038 37.0682 178.0748 101 E 3.1687 7.8121 119.3172 58.4640 29.3086 178.9062 102 K 3.9698 7.2453 116.3980 58.0364 32.2422 177.2861 103 F 5.0087 7.9983 118.0524 57.1309 40.8365 176.3316 104 F 4.2372 9.1930 119.2614 59.5315 37.9388 175.8378 105 P 3.7824 0.0000 0.0000 65.8031 31.3472 177.6088 106 H 4.2339 7.4236 112.8422 55.6590 28.3568 175.3459 107 V 4.2493 7.8147 118.7524 64.2201 32.9791 177.7668 108 L 4.1071 7.7782 118.0781 57.1297 41.5148 178.2123 109 E 4.5056 8.0594 117.7276 57.8364 30.7373 177.2711 110 K 3.8594 8.3217 117.9072 59.6909 32.1823 177.6809 111 E 4.0778 8.1050 119.1655 59.3040 29.5243 178.6275 112 K 3.9690 8.1477 116.7865 59.0148 32.0922 177.1167 113 T 4.5419 8.0913 112.7799 61.6696 67.5994 173.7699 114 R 4.5550 7.9334 116.8170 52.5052 31.4276 173.4451 115 P 4.1927 0.0000 0.0000 64.1388 31.1667 177.4207 116 E 3.7231 8.4299 125.2239 58.9498 30.5954 178.0693 117 G 3.8001 8.0517 105.1881 46.1277 0.0000 172.3278 118 E 4.6910 8.3269 118.0904 52.9476 32.1856 173.9022 119 P 4.2060 0.0000 0.0000 62.5018 31.8358 176.1790 120 S 4.2307 8.6274 117.8111 58.1276 61.3362 174.5655 121 S 4.5959 8.5645 121.5034 58.6135 62.0686 173.7500 122 L 4.7075 8.2706 122.3270 52.8553 45.0896 176.1774 123 S 4.6658 8.7585 121.6910 56.5424 66.2106 173.3913 124 P 4.3388 0.0000 0.0000 65.0863 30.7304 177.8988 125 E 4.2940 7.9383 118.4207 58.8405 30.0804 178.2209 126 E 4.0731 8.0740 117.7986 58.8193 29.3997 178.9815 127 L 3.9535 8.2599 120.9396 58.1505 42.4413 178.7506 128 A 4.0638 7.7885 119.0895 54.3155 18.1859 179.1642 129 F 4.2270 7.9231 119.3796 61.0759 39.5954 177.5280 130 A 3.9688 8.5130 119.3030 55.0090 18.1432 179.4696 131 R 4.0334 8.1158 116.8111 59.8023 30.6124 178.0653 132 E 4.1112 8.0657 118.1672 59.3665 29.4255 178.9601 133 F 3.6895 8.4078 118.3490 59.8891 39.3630 176.2330 *135 A 4.2292 7.8978 120.2444 52.0406 20.7394 178.5624 136 N 4.4079 7.7089 113.4228 56.3052 39.3218 177.0792 137 T 3.6204 7.4823 117.0278 66.6302 68.5181 176.1630 138 E 3.9818 8.2210 119.8076 59.8767 29.5571 179.4643 139 S 4.0885 7.5962 113.0483 61.4801 62.3004 175.3102 140 Y 3.9364 7.9979 122.1956 60.5902 38.4725 177.6724 141 L 3.8175 8.2096 119.7715 58.7211 41.9851 178.9171 142 K 3.6942 8.0991 118.3175 59.7254 31.6408 177.8873 143 N 4.1981 8.3071 118.7361 56.7365 39.0352 177.6443 144 V 3.5371 7.4302 118.5728 64.7805 31.7889 175.5798 145 A 4.3550 7.2778 120.2305 52.7962 25.4258 177.6033 146 L 4.0807 8.2058 118.2985 56.9633 42.2071 178.2617 147 K 4.2724 7.6081 115.4895 58.0718 33.8271 177.1026 148 H 4.5053 7.6438 119.1344 53.7308 27.0836 172.5344 *150 P 4.1516 0.0000 0.0000 61.2523 32.8988 175.3153 151 P 4.1995 0.0000 0.0000 63.9484 31.8535 174.8083 152 N 4.2142 8.9281 115.6526 54.6414 36.9166 174.0534 153 L 4.4253 7.6669 113.2500 55.1961 44.0073 174.2715 154 Q 4.5968 8.2062 114.1018 55.1615 29.2533 175.5154 155 K 4.7162 7.7075 116.9685 54.3498 35.0787 175.5028 156 V 4.4141 7.9992 120.0824 61.2708 34.4674 175.6729 157 D 4.7037 8.4249 126.7613 52.2157 39.9082 175.9381 158 L 3.8021 8.3655 124.9347 57.4350 41.9825 179.1301 159 F 3.8562 8.3740 118.1207 59.7265 39.2501 174.9071 160 R 4.6255 8.6384 116.6567 56.3797 31.9661 175.8451 161 A 4.1068 8.1147 119.7974 55.3092 18.7088 177.9154 162 V 3.9572 7.5424 115.8234 61.1556 32.0664 174.2470 163 P 4.5392 0.0000 0.0000 62.6802 31.8847 175.5860 164 K 4.4985 8.2522 118.5748 54.1093 34.5501 174.5269 165 P 3.7897 0.0000 0.0000 63.0995 31.1282 175.7189 166 D 4.5279 8.5027 122.4012 53.2433 40.6227 175.5482 167 L 4.1369 8.3454 128.2294 57.8132 41.9542 178.7598 168 D 4.6712 7.7120 115.4697 54.6311 40.5307 175.8219 169 S 4.9381 7.7876 114.5505 57.1076 65.1692 173.1170 170 Y 4.3444 9.0047 120.4941 58.5171 37.9415 175.6718 171 V 4.6182 8.2578 122.6590 62.0317 35.5488 173.5136 172 F 5.3525 9.1221 121.3373 56.9862 42.2186 174.6949 173 L 4.2559 8.9161 128.4945 52.9766 44.9291 175.1573 174 R 4.4671 7.7933 124.4605 54.5561 32.0714 175.9950 *202 S 4.2058 8.2020 117.2758 57.8573 62.2422 172.0714 203 Q 4.8318 7.8340 121.6998 54.2289 31.2626 175.2287 204 H 5.0537 8.9987 114.7464 55.2784 32.1868 171.8509 205 L 5.3518 8.3619 117.3144 54.2818 43.3026 175.7269 206 I 4.0522 8.1408 119.2241 60.5982 41.8358 173.0561 207 R 3.4559 7.2272 124.3536 56.3765 30.4746 177.1284 208 Y 4.1753 9.0645 124.1430 60.4467 39.1497 177.5523 209 K 4.1946 8.3771 120.1002 59.8372 32.3723 177.1690 210 T 3.9765 8.0377 107.1176 64.9854 68.4973 175.2571 211 I 3.5993 7.3968 121.9779 64.4124 37.2774 176.0177 212 A 3.5612 7.8497 127.2853 51.4050 17.7236 176.8479 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 21 L 8.17 4.31 0.00 1.95 1.70 0.97 0.33 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 22 T 8.34 4.11 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 1.28 0.00 0.00 23 P 0.00 4.22 0.00 2.15 2.15 0.00 3.60 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.15 0.00 24 A 8.08 3.99 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 25 E 8.07 3.85 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 2.34 2.31 0.00 26 L 8.71 3.63 0.00 1.69 1.80 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 27 I 8.15 3.59 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.90 0.87 0.00 0.00 28 E 7.72 3.91 0.00 2.08 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 0.00 2.34 2.35 0.00 29 R 8.30 3.98 0.00 1.84 2.04 0.00 3.15 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 30 L 7.86 3.73 0.00 1.70 1.76 0.72 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.14 4.33 0.00 2.21 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 0.00 2.28 2.53 0.00 32 Q 8.40 4.26 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 33 A 7.83 4.16 1.11 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 0.00 0.00 34 W 8.09 4.51 0.00 3.19 3.23 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 *36 N 8.16 4.55 0.00 2.97 2.94 0.00 0.00 6.69 7.66 0.00 0.00 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 E 7.96 4.19 0.00 2.32 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 2.35 2.34 0.00 38 K 7.52 4.38 0.00 1.61 1.73 0.00 1.45 0.00 0.00 1.54 0.00 0.00 2.52 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.13 1.23 7.81 39 F 8.32 4.47 0.00 2.97 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 40 A 7.94 4.37 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 41 P 0.00 4.40 0.00 1.99 2.02 0.00 2.83 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 1.09 1.55 0.00 42 E 7.61 4.56 0.00 1.90 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.21 0.00 43 L 8.46 4.07 0.00 1.66 1.69 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.19 4.12 0.00 2.03 1.73 1.07 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.45 4.17 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 2.35 2.30 0.00 46 S 8.62 4.28 0.00 3.96 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 47 K 8.47 4.70 0.00 1.91 1.76 0.00 1.79 0.00 0.00 1.92 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.70 1.39 7.81 48 P 0.00 4.42 0.00 2.28 2.34 0.00 3.82 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 2.11 2.10 0.00 49 E 8.33 4.29 0.00 2.03 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 2.31 2.49 0.00 50 I 7.70 3.70 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.04 0.84 0.00 0.00 51 V 7.68 3.65 2.16 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 0.95 0.00 0.00 1.22 0.00 0.00 52 E 7.78 4.12 0.00 2.14 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 0.00 2.60 2.36 0.00 53 C 8.51 4.31 0.00 3.07 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 54 V 7.54 3.84 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 0.80 0.00 0.00 1.00 0.00 0.00 *56 E 8.14 4.86 0.00 2.18 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 0.00 2.29 2.46 0.00 57 Q 8.74 3.97 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 58 L 7.89 4.09 0.00 1.72 1.70 0.91 0.80 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 59 E 8.26 4.10 0.00 2.19 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 0.00 2.36 2.51 0.00 60 H 8.13 3.98 0.00 3.34 3.53 0.00 5.61 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *62 E 8.04 4.14 0.00 1.99 2.16 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 2.18 2.30 0.00 63 E 7.35 4.09 0.00 1.96 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 2.26 2.24 0.00 64 N 8.01 4.21 0.00 2.67 2.86 0.00 0.00 7.15 7.72 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 65 L 7.84 4.11 0.00 1.57 1.68 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.91 4.29 0.00 1.76 1.80 0.00 3.24 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 *71 E 7.78 4.18 0.00 2.03 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 2.28 2.34 0.00 72 D 6.85 3.62 0.00 2.76 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 0.00 0.00 0.00 73 L 8.61 3.90 0.00 1.74 1.69 0.91 0.34 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 74 K 7.95 3.85 0.00 1.80 2.00 0.00 1.87 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.52 7.81 75 V 7.98 3.73 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 1.04 0.00 0.00 0.94 0.00 0.00 76 S 8.20 4.07 0.00 3.93 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 77 I 7.60 3.74 1.94 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 1.81 0.88 0.84 0.00 0.00 78 H 8.25 4.46 0.00 3.31 3.34 0.00 5.66 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 7.45 4.22 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.23 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 *81 E 8.11 4.05 0.00 2.01 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 0.00 2.27 2.33 0.00 *83 E 8.09 4.36 0.00 2.09 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 2.30 2.55 0.00 84 R 7.87 4.11 0.00 1.83 1.93 0.00 3.11 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 85 I 7.58 3.64 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.21 0.87 0.00 0.00 86 R 7.96 3.82 0.00 1.86 1.98 0.00 3.17 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 87 Y 7.85 4.10 0.00 3.17 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 88 V 7.49 2.34 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.26 0.00 0.00 89 L 7.40 3.94 0.00 1.83 1.78 1.01 1.13 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 90 S 8.25 4.03 0.00 3.90 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 91 S 7.96 4.15 0.00 3.15 3.71 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 92 Y 8.55 4.66 0.00 3.35 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 93 L 8.43 3.52 0.00 1.63 1.54 0.88 0.45 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 94 R 8.36 3.78 0.00 1.94 2.08 0.00 3.25 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 95 C 8.02 4.25 0.00 3.21 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 96 R 7.54 4.05 0.00 1.84 1.82 0.00 2.51 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.31 0.00 97 L 7.84 4.12 0.00 1.55 1.60 0.57 0.50 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 *99 K 8.06 4.24 0.00 2.07 2.02 0.00 1.69 0.00 0.00 2.01 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.50 1.63 7.81 100 I 8.07 3.84 1.91 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.60 0.99 0.00 0.00 101 E 7.81 3.17 0.00 1.67 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 1.47 2.17 0.00 102 K 7.25 3.97 0.00 1.42 1.14 0.00 1.48 0.00 0.00 1.08 0.00 0.00 2.74 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.46 1.08 7.81 103 F 8.00 5.01 0.00 3.05 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 0.00 104 F 9.19 4.24 0.00 3.35 3.31 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 0.00 105 P 0.00 3.78 0.00 1.35 1.56 0.00 3.22 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.36 0.00 106 H 7.42 4.23 0.00 2.94 3.21 0.00 5.61 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.81 4.25 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 1.05 0.00 0.00 1.02 0.00 0.00 108 L 7.78 4.11 0.00 1.87 1.84 1.12 1.06 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 0.00 109 E 8.06 4.51 0.00 2.30 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 2.37 2.29 0.00 110 K 8.32 3.86 0.00 1.95 1.91 0.00 1.86 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.55 7.81 111 E 8.10 4.08 0.00 2.09 1.96 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 2.33 2.37 0.00 112 K 8.15 3.97 0.00 1.92 1.91 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.57 7.81 113 T 8.09 4.54 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 1.39 0.00 0.00 114 R 7.93 4.56 0.00 2.18 2.17 0.00 3.15 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.54 0.00 115 P 0.00 4.19 0.00 2.24 2.28 0.00 3.90 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 116 E 8.43 3.72 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 2.30 2.44 0.00 117 G 8.05 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 0.00 118 E 8.33 4.69 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.21 0.00 119 P 0.00 4.21 0.00 2.22 2.13 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.15 0.00 120 S 8.63 4.23 0.00 3.90 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 0.00 121 S 8.56 4.60 0.00 3.95 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 0.00 122 L 8.27 4.71 0.00 1.53 1.52 1.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 123 S 8.76 4.67 0.00 4.14 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 0.00 124 P 0.00 4.34 0.00 2.31 2.37 0.00 3.70 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 125 E 7.94 4.29 0.00 2.04 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 2.27 2.39 0.00 126 E 8.07 4.07 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 127 L 8.26 3.95 0.00 1.96 1.88 0.97 1.13 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 0.00 128 A 7.79 4.06 1.42 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 0.00 0.00 129 F 7.92 4.23 0.00 3.20 3.27 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 0.00 130 A 8.51 3.97 1.44 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 0.00 131 R 8.12 4.03 0.00 2.06 2.17 0.00 3.33 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 132 E 8.07 4.11 0.00 2.24 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 133 F 8.41 3.69 0.00 2.68 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 *135 A 7.90 4.23 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 0.00 136 N 7.71 4.41 0.00 2.79 2.67 0.00 0.00 7.02 7.96 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 0.00 137 T 7.48 3.62 3.88 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 1.11 0.00 0.00 138 E 8.22 3.98 0.00 2.05 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 0.00 2.46 2.49 0.00 139 S 7.60 4.09 0.00 4.06 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 0.00 140 Y 8.00 3.94 0.00 3.16 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 0.00 141 L 8.21 3.82 0.00 1.85 1.73 1.05 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 142 K 8.10 3.69 0.00 1.97 1.79 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.49 7.81 143 N 8.31 4.20 0.00 2.60 2.82 0.00 0.00 7.21 7.09 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 0.00 144 V 7.43 3.54 1.21 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 0.19 0.00 0.00 0.71 0.00 0.00 145 A 7.28 4.35 1.16 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 0.00 0.00 146 L 8.21 4.08 0.00 1.76 1.64 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 147 K 7.61 4.27 0.00 1.93 2.01 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.20 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.48 7.81 148 H 7.64 4.51 0.00 3.14 3.28 0.00 5.70 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *150 P 0.00 4.15 0.00 2.06 2.03 0.00 3.72 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 1.92 2.11 0.00 151 P 0.00 4.20 0.00 2.03 2.02 0.00 3.80 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 152 N 8.93 4.21 0.00 2.83 2.90 0.00 0.00 6.81 7.78 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 0.00 153 L 7.67 4.43 0.00 1.56 1.81 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 154 Q 8.21 4.60 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.39 6.53 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 155 K 7.71 4.72 0.00 1.71 1.69 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.38 7.81 156 V 8.00 4.41 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 0.84 0.00 0.00 0.95 0.00 0.00 157 D 8.42 4.70 0.00 2.83 2.59 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 0.00 158 L 8.37 3.80 0.00 1.72 1.57 1.11 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 159 F 8.37 3.86 0.00 3.15 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 0.00 160 R 8.64 4.63 0.00 2.05 1.89 0.00 3.34 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 161 A 8.11 4.11 1.32 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 0.00 0.00 162 V 7.54 3.96 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 0.81 0.00 0.00 1.02 0.00 0.00 163 P 0.00 4.54 0.00 2.33 2.10 0.00 3.83 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 164 K 8.25 4.50 0.00 1.84 1.99 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.41 7.81 165 P 0.00 3.79 0.00 1.81 1.08 0.00 3.29 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.32 0.00 166 D 8.50 4.53 0.00 2.69 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 L 8.35 4.14 0.00 1.81 1.87 0.95 1.11 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 0.00 168 D 7.71 4.67 0.00 2.75 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 S 7.79 4.94 0.00 4.01 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 0.00 170 Y 9.00 4.34 0.00 2.86 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 0.00 171 V 8.26 4.62 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 1.28 0.00 0.00 1.16 0.00 0.00 172 F 9.12 5.35 0.00 3.16 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 L 8.92 4.26 0.00 1.55 1.33 0.82 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 174 R 7.79 4.47 0.00 1.49 1.54 0.00 3.47 0.00 0.00 3.12 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.70 0.00 *202 S 8.20 4.21 0.00 3.86 3.78 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 0.00 203 Q 7.83 4.83 0.00 2.56 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.46 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 204 H 9.00 5.05 0.00 3.20 3.48 0.00 5.22 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 L 8.36 5.35 0.00 2.03 1.90 1.08 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 206 I 8.14 4.05 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 1.06 0.99 0.79 0.00 0.00 207 R 7.23 3.46 0.00 1.62 1.61 0.00 3.04 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.77 0.00 208 Y 9.06 4.18 0.00 2.98 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 0.00 209 K 8.38 4.19 0.00 1.91 1.82 0.00 2.07 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.45 7.81 210 T 8.04 3.98 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 1.13 0.00 0.00 211 I 7.40 3.60 1.67 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.38 0.74 0.00 0.00 212 A 7.85 3.56 0.83 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.