NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 T 4.3140 8.1749 115.2522 62.0821 68.2976 174.0699 17 E 4.0363 9.1609 124.6627 57.0793 31.3738 176.3807 18 F 5.3554 8.0121 117.9508 55.5495 43.2199 173.9378 19 M 4.9143 9.1930 119.3774 52.6994 34.1203 173.2876 20 P 4.9343 0.0000 0.0000 62.9473 32.6871 175.0000 21 Y 4.6833 9.3006 123.9522 55.8954 42.1802 173.6344 22 N 4.7980 8.2067 123.7738 51.7972 40.3226 174.3264 23 G 3.4074 7.3228 115.6076 43.5084 0.0000 171.9532 24 D 4.3511 8.5059 120.7350 55.0878 40.4270 177.1999 25 G 4.1329 9.6860 115.4043 45.2184 0.0000 170.9021 26 F 5.4221 7.2117 113.6067 55.2389 42.0299 173.1017 27 K 5.2910 8.9499 118.2415 55.8219 36.7135 174.5004 28 L 4.7286 8.7255 119.5769 55.5202 44.1052 173.0853 29 L 5.0600 8.9014 120.0568 53.5678 43.3625 176.4012 30 V 4.2688 8.6621 117.9660 58.6388 34.2518 173.8709 31 P 4.1588 0.0000 0.0000 62.7518 31.4729 177.9516 32 S 4.1282 8.5602 120.7068 61.3250 62.9488 175.9176 33 K 4.2127 7.6914 117.6779 57.7971 32.1879 176.9888 34 W 4.9528 7.6419 118.5592 56.2610 30.3206 175.3789 35 N 5.4671 9.1122 118.3024 50.6309 42.2555 172.5335 36 P 3.8747 0.0000 0.0000 62.6368 32.2945 175.3211 37 S 4.6988 8.4748 119.1096 57.1691 64.3388 174.6830 38 K 4.3056 8.7088 126.5199 54.8410 32.0426 174.5119 39 E 4.3723 7.6380 118.7087 56.1985 30.3367 176.1184 40 K 4.3401 8.4841 123.1986 55.7055 32.7919 176.1307 41 E 4.1555 9.1976 124.1602 57.3160 30.4474 176.5392 42 F 5.0471 7.8149 115.1494 54.6398 42.6863 172.4726 43 P 4.3753 0.0000 0.0000 63.7517 31.9430 177.2413 44 G 3.9012 8.9493 109.8354 45.3915 0.0000 172.6371 45 Q 4.5767 7.7550 121.5081 56.2691 29.1929 175.9300 46 V 4.5477 8.5429 117.9662 61.3585 34.4890 175.8136 47 L 4.9004 7.8464 121.2509 53.3827 46.0711 175.0104 48 R 5.1592 8.4766 124.3515 55.2449 33.5444 172.9696 49 Y 5.3359 9.2300 123.9193 56.2972 41.6367 174.5633 50 E 4.6187 9.2369 119.8359 54.4506 33.9905 174.0101 51 D 4.2829 7.4571 122.2359 53.9597 41.2442 176.8048 52 N 4.2888 8.6330 124.5744 55.7962 38.8678 176.8139 53 F 4.2512 7.9240 116.3228 59.7767 39.3730 175.2769 54 D 4.3418 7.9655 119.7723 53.2639 41.7743 175.2078 55 A 4.1713 8.3029 129.0195 53.6038 18.7023 178.6540 56 T 3.8896 7.8524 105.9527 63.8055 69.2507 174.6853 57 S 4.7863 7.9324 120.1356 58.0067 63.8438 173.1783 58 N 4.8556 8.7413 121.6467 52.2277 41.1539 173.0844 59 L 5.3824 9.1519 118.4655 54.8951 44.3776 175.1079 60 S 5.2602 9.3245 115.7513 57.1320 68.0485 173.0061 61 V 4.6721 8.5278 122.4033 61.0328 34.1770 174.2157 62 L 5.3075 8.8825 127.3704 52.8987 45.0442 175.5877 63 V 4.5988 8.5559 122.3114 61.2581 33.9296 174.7097 64 Q 4.7906 8.7179 126.2915 53.2271 32.9758 173.3261 65 P 4.9766 0.0000 0.0000 63.4657 32.4174 175.1738 66 T 4.8792 8.4538 114.7010 61.0082 70.4495 173.3773 67 D 4.6290 8.7807 124.2663 53.7183 40.3265 176.9913 68 K 4.1516 7.6314 119.5160 56.4756 32.5533 176.8796 69 K 4.4396 8.9113 119.7768 56.7633 33.7561 176.6319 70 S 4.5748 7.5200 112.0009 55.4153 65.6416 174.3777 71 I 3.8359 8.1237 124.7302 64.0119 37.7947 177.8293 72 T 4.4850 7.4654 110.5614 63.0680 68.4957 175.6740 73 D 4.4103 7.7079 121.5942 56.8235 40.8784 177.7292 74 F 4.4182 7.8496 116.8321 60.2478 39.5440 175.6372 75 G 4.0021 8.1812 103.7690 44.1032 0.0000 173.6088 76 S 4.4250 8.5593 115.9840 57.1943 65.2006 173.1669 77 P 4.0092 0.0000 0.0000 66.1188 30.7474 178.7785 78 E 3.9808 8.0652 116.4845 59.2185 29.1870 179.0176 79 D 4.3788 7.6654 117.5654 57.2659 41.2869 177.9877 80 F 4.3703 8.5992 121.3717 61.4467 39.2613 176.6601 81 L 3.6403 8.1915 119.9247 58.4349 41.5547 179.0177 82 S 4.0360 7.6085 111.7062 61.2037 62.3702 175.6410 83 Q 4.2727 7.6951 119.4341 57.0761 28.7949 176.8842 84 V 4.1727 6.7880 114.0264 60.4702 32.4299 177.4467 85 D 4.2136 7.9943 122.8721 56.2974 39.1140 176.9672 86 Y 4.2751 7.9670 118.9082 60.0344 37.5043 178.3067 87 L 3.6446 6.8321 120.0830 57.1346 41.6094 178.7947 88 L 4.3225 7.6644 118.1292 55.5426 42.0369 177.2698 89 G 3.7962 7.0902 106.7743 44.0461 0.0000 173.6427 *108 V 3.6975 8.1482 121.6575 62.6228 31.7751 174.7319 109 A 4.4253 8.3697 130.5403 53.6354 19.9034 176.8767 110 S 4.7457 7.4810 108.1263 57.3170 66.1759 173.8067 111 A 5.1582 8.5758 123.6490 50.1532 21.7405 174.5840 112 N 4.7922 9.0638 121.5954 51.5872 41.8591 173.6126 113 V 4.2679 8.4313 126.8483 62.3494 31.1945 175.5489 114 L 4.2202 8.7798 129.4398 57.6478 41.9750 177.6220 115 E 4.9352 7.8925 115.9200 55.4269 34.0632 174.1606 116 S 5.1555 8.3685 115.0268 57.5228 66.4820 172.6764 117 S 4.6765 8.8485 114.8234 56.9412 66.2450 173.1690 118 T 5.7610 8.0918 110.8570 58.5940 67.1937 172.0035 119 P 4.6577 0.0000 0.0000 63.3063 33.6546 177.2365 120 V 4.9922 8.3758 121.3486 60.0610 33.5771 174.9233 121 V 4.2038 8.7545 125.4488 61.7213 33.1627 175.0617 122 D 4.4335 9.9187 128.4645 55.4184 38.2511 173.7146 123 G 4.1588 8.5992 107.4296 45.3881 0.0000 174.6412 124 K 4.1536 8.1284 119.9727 55.2746 32.7713 175.7873 125 Q 4.4614 8.6027 125.8381 56.5145 29.4315 174.7297 126 Y 4.8948 9.6161 124.2265 56.5983 41.5489 174.1667 127 Y 5.3517 8.6171 118.3892 56.5374 41.5358 174.9200 128 S 5.1760 9.0609 116.6717 56.6162 66.2269 172.4038 129 I 5.0347 9.1505 126.9606 59.5717 41.2132 173.7157 130 T 5.0243 8.6979 126.1832 61.9955 70.4912 173.7454 131 V 4.7620 8.7222 126.3719 60.9483 35.3448 173.9338 132 L 5.0382 8.9208 127.7634 53.2540 43.5844 175.6339 133 T 5.1454 8.6621 113.9539 60.1347 72.2548 173.2840 134 R 4.6071 8.2727 120.7198 54.1928 34.7191 174.7794 *140 E 4.0366 8.6044 118.1560 57.0263 30.4945 176.1899 141 G 4.1211 8.7376 103.5954 44.4827 0.0000 174.6151 142 G 3.9731 8.0406 107.4295 45.5344 0.0000 173.0727 143 K 5.2036 9.0706 122.7214 54.6287 35.7478 174.7664 144 H 4.9342 9.1159 121.9573 54.2301 30.6433 173.7496 145 Q 5.0954 9.0572 122.9928 53.9420 32.1723 174.6667 146 V 4.7778 9.0435 123.9001 61.1579 34.4094 174.0451 147 I 4.9480 9.0658 128.7232 59.4954 39.6836 174.3936 148 A 5.4556 8.7515 128.2519 50.3159 22.2070 174.8300 149 A 5.2275 8.9690 121.4344 51.2358 23.3169 175.2188 150 T 4.4980 8.8382 114.5267 60.7000 71.8639 172.2245 151 V 4.9699 8.0016 123.5987 60.8849 33.8656 174.8472 152 K 4.4750 9.0141 128.2517 56.2134 35.1738 175.5083 153 D 4.4626 9.4422 125.8906 55.7615 38.0936 174.2549 154 G 3.9956 8.4016 103.4771 46.2193 0.0000 173.5433 155 K 5.0920 7.8655 117.7677 54.0477 36.3295 174.9063 156 L 5.1257 9.1573 126.2911 53.8111 44.1213 174.4664 157 Y 5.2188 9.0322 124.1813 56.3080 40.9395 174.8070 158 I 4.9207 8.8386 124.5544 59.5822 41.2332 173.7598 159 C 4.6614 8.7542 128.0562 57.2687 33.4251 172.1432 160 K 5.1229 9.0948 127.7880 54.4975 34.7939 174.4862 161 A 5.5109 9.0529 128.6532 50.3652 22.5563 174.6772 162 Q 5.2713 9.3460 117.6270 55.1861 32.7238 173.3984 163 A 5.1430 8.9665 120.8814 50.5288 23.4056 176.2346 164 G 4.0241 8.7223 107.8637 45.0329 0.0000 174.4294 165 D 4.3457 8.8457 120.6492 57.5161 41.0336 179.4268 166 K 4.2354 8.1361 118.1875 59.6620 32.0950 179.5342 167 R 4.0502 8.1209 117.9587 58.6145 30.0208 178.3024 168 W 4.2106 8.5523 128.7870 60.9619 30.3829 177.9560 169 F 4.4349 7.9838 114.7903 59.1298 38.5066 176.8543 170 K 4.5670 8.1501 117.5178 55.7079 32.1397 175.9321 171 G 3.4546 8.1089 111.1029 45.8107 0.0000 176.2999 172 A 4.3840 8.5562 123.5209 54.4334 18.3068 179.2570 173 K 2.4800 7.2947 119.0293 59.0679 31.8510 178.5907 174 K 3.6075 6.9451 118.7578 60.2369 32.1341 179.0173 175 F 4.3683 7.6352 118.3080 60.0940 38.7853 177.6531 176 V 3.7339 7.9193 117.8955 66.2470 31.3388 177.9077 177 E 4.0955 8.2565 118.1559 59.0673 29.3476 179.0253 178 S 3.8897 8.2164 113.1782 61.1740 62.1548 176.0488 179 A 4.2561 8.0293 124.0287 54.9099 17.9597 179.3745 180 T 4.1050 7.8001 108.1873 64.8680 68.8789 177.3572 181 S 4.1802 8.1492 117.6759 61.1836 62.9202 176.3222 182 S 4.3502 8.1801 115.9150 59.2347 63.0892 174.2083 183 F 4.7473 7.3409 124.8440 58.9128 39.5270 174.6192 184 S 4.5512 8.7688 119.9631 56.9865 66.5922 173.9213 185 V 4.5785 8.4051 115.5873 59.7827 34.0350 176.0662 186 A 4.1279 8.2141 123.6900 52.6542 19.2303 176.0323 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 16 T 8.17 4.31 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 1.27 0.00 0.00 17 E 9.16 4.04 0.00 1.96 1.71 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 2.38 2.40 0.00 18 F 8.01 5.36 0.00 2.88 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 M 9.19 4.91 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 20 P 0.00 4.93 0.00 1.97 2.04 0.00 3.65 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 2.04 2.10 0.00 21 Y 9.30 4.68 0.00 2.96 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 22 N 8.21 4.80 0.00 2.36 2.48 0.00 0.00 6.92 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 23 G 7.32 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 0.00 0.00 0.00 24 D 8.51 4.35 0.00 2.74 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 25 G 9.69 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 0.00 0.00 0.00 26 F 7.21 5.42 0.00 3.03 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 27 K 8.95 5.29 0.00 1.93 1.97 0.00 1.32 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.29 1.39 7.81 28 L 8.73 4.73 0.00 1.92 2.20 1.05 1.28 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 29 L 8.90 5.06 0.00 1.61 1.69 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.66 4.27 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 0.34 0.00 0.00 0.40 0.00 0.00 31 P 0.00 4.16 0.00 0.49 0.49 0.00 2.98 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.42 0.00 32 S 8.56 4.13 0.00 3.79 3.89 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 33 K 7.69 4.21 0.00 1.68 1.97 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.44 7.81 34 W 7.64 4.95 0.00 3.26 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 9.11 5.47 0.00 2.75 2.62 0.00 0.00 7.12 7.55 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 36 P 0.00 3.87 0.00 1.78 1.31 0.00 3.62 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.79 0.00 37 S 8.47 4.70 0.00 3.94 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.71 4.31 0.00 1.81 1.68 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.33 1.02 7.81 39 E 7.64 4.37 0.00 1.87 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 2.27 2.22 0.00 40 K 8.48 4.34 0.00 1.72 1.76 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.39 7.81 41 E 9.20 4.16 0.00 1.93 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 2.19 2.34 0.00 42 F 7.81 5.05 0.00 3.21 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 43 P 0.00 4.38 0.00 2.01 1.95 0.00 3.84 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.03 0.00 44 G 8.95 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 45 Q 7.76 4.58 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.67 6.71 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 46 V 8.54 4.55 2.31 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 0.84 0.00 0.00 1.18 0.00 0.00 47 L 7.85 4.90 0.00 1.91 1.55 0.80 0.30 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 48 R 8.48 5.16 0.00 1.91 1.84 0.00 3.18 0.00 0.00 3.46 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 49 Y 9.23 5.34 0.00 3.15 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 50 E 9.24 4.62 0.00 1.73 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 2.07 2.08 0.00 51 D 7.46 4.28 0.00 1.58 2.34 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 52 N 8.63 4.29 0.00 2.36 2.59 0.00 0.00 7.21 7.45 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 53 F 7.92 4.25 0.00 3.26 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 54 D 7.97 4.34 0.00 2.70 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 55 A 8.30 4.17 1.18 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 0.00 0.00 56 T 7.85 3.89 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 1.19 0.00 0.00 57 S 7.93 4.79 0.00 3.67 3.45 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 58 N 8.74 4.86 0.00 2.93 2.80 0.00 0.00 6.07 6.73 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 59 L 9.15 5.38 0.00 2.00 2.14 1.03 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 60 S 9.32 5.26 0.00 3.76 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 61 V 8.53 4.67 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 0.38 0.00 0.00 0.84 0.00 0.00 62 L 8.88 5.31 0.00 1.53 1.51 0.98 0.53 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 63 V 8.56 4.60 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 0.34 0.00 0.00 0.78 0.00 0.00 64 Q 8.72 4.79 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.71 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 65 P 0.00 4.98 0.00 2.08 2.05 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 66 T 8.45 4.88 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 67 D 8.78 4.63 0.00 2.80 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 68 K 7.63 4.15 0.00 1.72 1.68 0.00 1.40 0.00 0.00 1.51 0.00 0.00 2.81 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.06 0.36 7.81 69 K 8.91 4.44 0.00 1.64 1.81 0.00 1.54 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.36 7.81 70 S 7.52 4.57 0.00 3.74 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 71 I 8.12 3.84 1.47 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 -0.03 0.21 0.00 0.00 72 T 7.47 4.48 4.34 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 1.21 0.00 0.00 73 D 7.71 4.41 0.00 2.49 2.54 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 0.00 74 F 7.85 4.42 0.00 3.39 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 75 G 8.18 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 0.00 0.00 0.00 76 S 8.56 4.43 0.00 4.03 4.04 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 77 P 0.00 4.01 0.00 1.96 1.90 0.00 3.30 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.67 0.00 78 E 8.07 3.98 0.00 2.05 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 2.38 2.43 0.00 79 D 7.67 4.38 0.00 3.09 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 80 F 8.60 4.37 0.00 3.37 3.45 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 81 L 8.19 3.64 0.00 1.87 1.82 0.79 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 82 S 7.61 4.04 0.00 3.84 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 83 Q 7.70 4.27 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.17 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 84 V 6.79 4.17 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 0.25 0.00 0.00 0.18 0.00 0.00 85 D 7.99 4.21 0.00 2.80 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 7.97 4.28 0.00 3.39 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 6.83 3.64 0.00 1.22 1.30 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.66 4.32 0.00 1.66 1.69 0.85 0.73 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 89 G 7.09 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 *108 V 8.15 3.70 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.92 0.00 0.00 109 A 8.37 4.43 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 S 7.48 4.75 0.00 3.85 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 0.00 111 A 8.58 5.16 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 0.00 112 N 9.06 4.79 0.00 2.76 2.58 0.00 0.00 6.45 8.16 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 0.00 113 V 8.43 4.27 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 0.86 0.00 0.00 0.90 0.00 0.00 114 L 8.78 4.22 0.00 1.67 1.69 0.84 1.10 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 0.00 115 E 7.89 4.94 0.00 1.88 1.79 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 2.32 2.32 0.00 116 S 8.37 5.16 0.00 3.83 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 0.00 117 S 8.85 4.68 0.00 3.90 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 0.00 118 T 8.09 5.76 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 1.12 0.00 0.00 119 P 0.00 4.66 0.00 2.11 2.22 0.00 3.97 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 2.13 1.98 0.00 120 V 8.38 4.99 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 0.82 0.00 0.00 0.97 0.00 0.00 121 V 8.75 4.20 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 0.98 0.00 0.00 0.63 0.00 0.00 122 D 9.92 4.43 0.00 2.87 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 0.00 123 G 8.60 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 0.00 0.00 0.00 124 K 8.13 4.15 0.00 2.20 1.50 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.27 1.32 7.81 125 Q 8.60 4.46 0.00 2.03 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 126 Y 9.62 4.89 0.00 3.06 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Y 8.62 5.35 0.00 2.60 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 0.00 128 S 9.06 5.18 0.00 3.94 3.70 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 0.00 129 I 9.15 5.03 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.86 1.03 0.00 0.00 130 T 8.70 5.02 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 1.14 0.00 0.00 131 V 8.72 4.76 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 1.02 0.00 0.00 0.88 0.00 0.00 132 L 8.92 5.04 0.00 1.62 1.41 0.34 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 133 T 8.66 5.15 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 1.22 0.00 0.00 134 R 8.27 4.61 0.00 1.66 1.85 0.00 3.19 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 *140 E 8.60 4.04 0.00 1.93 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 2.19 2.39 0.00 141 G 8.74 4.12 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 0.00 0.00 0.00 142 G 8.04 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 0.00 143 K 9.07 5.20 0.00 1.65 1.68 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.38 7.81 144 H 9.12 4.93 0.00 2.53 2.19 0.00 5.57 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 0.00 145 Q 9.06 5.10 0.00 1.89 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.21 0.00 146 V 9.04 4.78 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 1.05 0.00 0.00 1.13 0.00 0.00 147 I 9.07 4.95 1.92 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.47 1.00 0.00 0.00 148 A 8.75 5.46 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 A 8.97 5.23 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 T 8.84 4.50 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 0.78 0.00 0.00 151 V 8.00 4.97 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.08 0.00 0.00 152 K 9.01 4.47 0.00 1.75 1.68 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.51 7.81 153 D 9.44 4.46 0.00 3.00 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 0.00 154 G 8.40 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 0.00 0.00 0.00 155 K 7.87 5.09 0.00 1.91 1.17 0.00 1.44 0.00 0.00 1.54 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.21 1.32 7.81 156 L 9.16 5.13 0.00 1.85 1.69 0.94 1.08 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 0.00 157 Y 9.03 5.22 0.00 3.07 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 0.00 158 I 8.84 4.92 1.80 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.83 0.80 0.00 0.00 159 C 8.75 4.66 0.00 1.23 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 0.00 0.00 0.00 160 K 9.09 5.12 0.00 1.64 1.47 0.00 1.50 0.00 0.00 1.43 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.29 7.81 161 A 9.05 5.51 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 0.00 162 Q 9.35 5.27 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 163 A 8.97 5.14 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 G 8.72 4.02 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 0.00 0.00 0.00 165 D 8.85 4.35 0.00 2.92 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 0.00 166 K 8.14 4.24 0.00 1.90 1.94 0.00 1.80 0.00 0.00 1.94 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.62 1.54 7.81 167 R 8.12 4.05 0.00 1.96 2.10 0.00 3.38 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.71 0.00 168 W 8.55 4.21 0.00 3.26 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 0.00 169 F 7.98 4.43 0.00 3.22 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 0.00 170 K 8.15 4.57 0.00 1.81 1.88 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.73 7.81 171 G 8.11 3.45 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 0.00 172 A 8.56 4.38 1.58 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 0.00 0.00 173 K 7.29 2.48 0.00 0.79 1.01 0.00 1.37 0.00 0.00 1.22 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.92 0.21 7.81 174 K 6.95 3.61 0.00 1.74 1.75 0.00 0.62 0.00 0.00 1.33 0.00 0.00 2.61 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.77 0.28 7.81 175 F 7.64 4.37 0.00 3.15 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 V 7.92 3.73 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 1.45 0.00 0.00 1.29 0.00 0.00 177 E 8.26 4.10 0.00 2.03 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 2.45 2.34 0.00 178 S 8.22 3.89 0.00 3.46 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 0.00 179 A 8.03 4.26 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 T 7.80 4.10 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 1.27 0.00 0.00 181 S 8.15 4.18 0.00 3.86 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 S 8.18 4.35 0.00 3.99 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 0.00 183 F 7.34 4.75 0.00 3.16 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 S 8.77 4.55 0.00 3.80 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 0.00 185 V 8.41 4.58 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.61 0.00 0.00 186 A 8.21 4.13 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 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.