NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6514 8.2076 120.3161 53.6993 41.6478 177.5414 3 T 3.8041 7.7244 110.4616 63.1864 68.6780 174.7302 4 R 3.9959 8.3286 122.8798 59.7497 30.2972 180.0031 5 K 4.1412 7.5780 121.4310 58.9143 31.7109 181.7885 6 L 4.4877 7.8098 115.9600 55.1530 42.0950 176.1770 7 L 4.5193 7.2162 121.3409 52.9744 43.3619 175.3169 8 L 4.7555 8.2715 126.0435 52.8407 43.0685 177.0408 9 T 4.1248 8.9315 115.2848 61.0901 70.7333 174.8653 10 A 4.0096 8.6421 123.6751 55.9286 18.2185 180.2226 11 Q 3.9501 8.0035 115.7131 59.0199 28.6614 178.5027 12 E 3.9888 7.9563 118.8079 59.4489 29.5703 179.1434 13 I 3.8769 7.9543 119.2341 64.5254 37.2456 178.2506 14 S 4.4649 8.1515 115.1979 60.8558 63.5197 175.9913 15 R 4.1218 7.5134 121.2310 55.4233 28.3471 175.9161 *17 K 4.2244 8.1506 121.8128 54.7661 34.2961 177.9500 18 G 4.1683 8.2062 100.7115 45.5812 0.0000 171.8563 19 E 4.7647 8.8081 118.8460 54.3341 32.4512 175.0811 20 H 4.9095 8.8794 124.2807 56.0590 30.8633 174.4015 21 K 4.6592 9.0669 125.0668 54.4869 35.8041 175.2690 22 V 4.8881 8.2018 123.6719 60.9244 34.2286 174.5338 23 H 4.4746 9.0844 128.6425 56.0412 30.2928 176.2926 24 F 4.3542 9.2820 120.3502 58.9945 37.7829 175.6363 25 L 4.1787 7.5373 118.5196 54.1616 42.5774 175.9220 26 N 4.6531 8.0515 118.6845 51.5374 39.9799 172.9698 27 P 4.2757 0.0000 0.0000 64.7963 31.7236 177.8917 28 G 3.7960 8.5559 106.0874 46.0034 0.0000 173.2610 29 A 5.1872 7.8241 124.0057 49.4788 17.9813 174.9181 30 V 4.9870 7.8864 119.1237 60.7474 34.4524 174.3409 31 R 4.8900 8.8943 122.8022 55.0128 34.0219 173.5040 32 V 4.7290 8.6374 119.3205 61.1899 33.7482 173.5990 33 N 5.4758 9.3663 127.1244 51.7190 41.7249 173.1633 34 K 4.7407 9.1041 125.7449 54.8141 35.0622 175.8076 35 S 4.6373 8.6624 121.4847 56.7313 61.1094 174.3671 36 L 4.0225 8.4245 128.5167 57.5212 42.0850 180.2049 37 G 3.6207 8.2036 105.5243 48.0131 0.0000 175.5637 38 D 4.3596 8.0880 120.8590 56.8830 40.5579 178.7099 39 A 4.0481 7.8436 120.3950 54.3734 18.4576 179.0348 40 V 4.2027 7.4145 107.3807 60.9894 32.4290 176.8774 41 G 4.0399 7.4551 106.7497 45.0656 0.0000 173.8208 42 L 4.1353 7.8223 119.5726 54.7135 41.9722 177.2994 43 R 4.5089 8.4089 119.8730 56.4823 32.4460 176.0299 44 H 4.8926 7.8636 114.9091 55.4980 30.1401 174.3566 *46 G 3.9613 8.0598 104.7377 46.2749 0.0000 172.8228 47 I 5.1359 8.0496 123.9055 59.9849 40.9926 173.7347 48 H 5.3926 9.4399 124.9223 53.7173 32.4345 172.8004 49 L 5.1335 9.0048 125.6796 53.7147 43.5027 175.1216 50 I 5.1501 9.1173 120.2589 59.1814 41.1995 174.3766 51 Q 5.1511 8.8588 122.4852 54.2778 31.9617 174.4048 52 I 4.7795 8.7609 125.0879 59.5133 40.1125 175.3690 53 E 4.6403 8.7495 126.3667 54.5999 31.3918 174.4457 54 P 4.4994 0.0000 0.0000 64.6748 31.7066 177.3240 55 G 3.9310 9.4036 111.0309 45.2573 0.0000 172.9726 56 K 4.6838 7.8433 118.7020 54.6383 35.2201 174.3572 57 E 5.3657 8.6898 119.4390 54.6678 32.5414 177.4592 58 S 4.3737 9.0431 115.7145 60.9219 63.9752 173.5853 59 T 4.1508 7.3277 112.8778 61.6720 70.2104 171.1478 60 E 4.3612 8.3477 124.5555 54.7146 30.5019 174.7596 61 Y 4.7511 8.8260 126.9064 57.9608 39.7731 174.7971 62 H 4.6333 7.8110 120.1810 54.5101 32.6532 172.0093 63 L 4.6397 8.1038 120.3445 53.8430 45.3461 174.6806 64 H 4.9131 8.7617 123.2775 55.7136 29.9632 175.6920 65 H 3.9191 9.0491 118.9723 57.0614 29.2057 175.8115 66 Y 4.4223 8.5332 113.8756 58.4963 40.7209 176.4113 67 E 4.6405 8.3381 118.2058 55.1729 30.7455 176.7187 68 E 4.5112 9.3597 124.3867 56.6372 31.2067 175.4269 69 E 5.2823 8.6049 119.8481 55.3771 33.7374 173.6670 70 A 5.0604 9.4779 126.1645 50.6993 23.6386 175.0963 71 V 4.8963 8.4774 118.5369 61.3058 35.2698 173.5945 72 Y 5.1909 9.0942 128.8285 55.7690 41.6322 174.3504 73 V 3.9875 8.2363 127.8425 62.8542 32.2035 176.1873 74 L 4.4769 8.8671 128.6132 56.6266 42.9228 176.9832 75 S 4.4603 7.9950 110.7527 58.4193 66.3162 175.4931 76 G 4.0005 9.1845 108.5976 45.8896 0.0000 172.3605 77 K 4.8660 8.1006 115.9558 55.0728 36.4756 176.0207 78 G 4.2537 8.9481 108.5785 45.7170 0.0000 171.2865 79 T 5.1425 8.9854 116.0734 61.5363 71.7943 173.4514 80 L 4.8270 9.4278 129.9429 54.6911 43.5364 175.8199 81 T 5.4975 9.0267 122.8472 60.5611 71.9373 174.3516 *83 E 4.3533 8.0058 120.4153 57.1035 30.5341 176.4607 84 N 4.1629 8.5106 109.3348 54.0803 37.7251 174.5410 85 D 4.9525 7.6241 116.2623 52.5118 44.0884 174.7432 86 Q 5.1304 8.0384 119.7173 54.6503 31.1858 174.8325 87 Y 4.8967 9.1316 120.2947 55.3937 42.1279 173.1225 88 P 4.9793 0.0000 0.0000 62.9148 32.3615 175.5563 89 I 5.0070 8.7895 115.4010 59.6493 41.4537 173.7500 90 A 4.9780 8.8815 123.4043 50.2728 23.2877 174.0685 91 P 4.3590 0.0000 0.0000 64.5351 31.6108 177.5752 92 G 3.7489 8.7245 111.5636 45.0001 0.0000 173.3077 93 D 4.6815 7.6270 120.2146 53.9458 42.2337 175.2030 94 F 5.5458 8.7591 123.5369 56.4200 42.6201 174.3623 95 V 4.0522 8.1104 124.3473 59.6642 34.3347 174.5937 96 G 3.9062 7.8967 110.3528 44.2089 0.0000 172.5341 97 F 4.7614 8.7388 120.8856 54.1221 40.8549 172.8751 98 P 4.5930 0.0000 0.0000 62.1640 32.6663 175.7014 99 C 4.2100 8.6584 119.7508 61.9295 28.4508 173.9624 100 H 3.9431 8.5916 118.3561 56.4335 27.0284 176.0098 101 A 4.1097 8.0566 122.7632 54.6707 18.5138 178.4146 102 A 4.7567 7.4846 113.5324 50.8778 22.0341 176.1425 103 A 4.1266 9.3032 126.1276 52.1545 19.3732 176.3521 104 H 5.3543 8.1527 115.6291 54.8460 32.6926 172.2913 105 S 4.8303 9.2865 112.7394 57.2868 66.9427 172.8012 106 I 5.2374 8.5817 121.2965 59.5663 40.3629 174.9162 107 S 5.1056 9.1231 120.4913 56.5942 66.7673 172.8341 108 N 4.9117 9.0368 121.1790 52.3008 39.3915 174.0993 109 D 4.9046 8.5538 124.3929 53.8811 41.6463 177.7657 110 G 4.0635 8.1703 110.7000 45.0700 0.0000 173.3530 111 T 4.3982 8.4491 107.2380 61.5018 70.4585 173.9353 112 E 4.7536 7.7446 119.9421 53.9796 32.3070 175.4164 113 T 4.0763 8.2758 116.6400 64.4173 69.8637 172.8063 114 L 4.9149 8.8936 127.9140 53.6565 43.9781 175.0394 115 V 4.9287 8.8779 127.0074 61.4556 34.0049 174.1564 116 C 5.4159 9.0561 124.2024 58.1029 33.1784 172.6421 117 L 5.1606 8.9586 121.0510 53.4282 43.4355 175.7410 118 V 4.8453 9.1482 124.2476 61.1683 34.3109 174.2671 119 I 5.1099 9.1435 128.4736 59.6072 40.2373 174.7933 120 G 4.5100 9.2126 113.6102 44.5018 0.0000 172.3808 121 Q 4.4165 8.7682 120.3615 55.7287 29.8131 176.2946 122 R 4.7542 8.7061 121.0721 54.7503 32.0036 175.2790 123 L 4.8882 9.1658 124.1859 52.7612 44.5485 177.1024 124 D 4.5624 8.7830 120.6442 56.5905 42.1222 176.1715 125 Q 5.0625 7.8448 116.3886 54.0463 31.7945 174.4078 126 D 4.8672 8.8924 121.8698 53.0926 45.8147 173.6661 127 V 4.7252 8.4703 120.5800 60.9465 35.1166 174.1479 128 V 4.4624 8.5165 127.0675 61.1749 34.5364 173.8770 129 D 4.8686 8.6357 128.1210 53.5853 43.0367 175.3326 130 Y 5.2541 8.4576 119.9867 54.2691 38.2416 174.4974 131 P 4.2960 0.0000 0.0000 65.3319 31.9943 178.6586 132 N 4.3649 8.3060 114.0538 55.2869 38.6851 175.6088 133 Q 4.2647 7.9953 115.2920 55.2494 29.5994 174.8037 134 H 4.1149 7.6596 114.9500 56.9649 26.5796 174.1694 135 K 4.9665 7.5843 117.1326 54.6371 37.1249 176.8743 136 R 4.8338 8.9646 123.4528 54.3928 33.1201 173.8588 137 L 5.0256 8.8241 128.6110 53.7033 44.3349 174.3328 138 Y 4.7688 8.9260 124.9594 56.4987 39.9965 174.5805 139 R 4.6617 8.8850 125.9476 54.5697 32.7036 174.3896 140 N 5.0097 9.2681 124.3284 50.9568 41.3336 174.4595 141 N 4.3287 9.9556 126.0584 54.0776 36.7381 175.0167 142 G 4.1400 8.3001 105.3980 45.2978 0.0000 172.5805 143 E 4.3465 8.2940 121.5124 55.2762 30.1511 174.6829 144 W 5.2882 8.9118 126.0700 55.0640 31.4903 174.9408 145 N 5.0903 9.4435 122.0963 51.4890 41.3442 172.9826 146 L 5.2062 8.8377 126.2952 53.3206 44.1458 175.5583 147 V 4.4961 8.9040 126.0362 61.0010 34.5959 176.1386 148 D 5.2754 8.9343 126.3454 53.3960 40.4909 177.0630 *150 A 4.2203 8.4644 122.9897 53.0468 20.3902 177.1247 151 D 4.7347 8.2783 114.0502 54.1858 41.1552 176.0930 152 I 4.2435 7.5766 121.1695 59.7545 38.1135 174.9043 153 R 4.3728 8.4685 126.2945 54.5885 30.5847 175.4668 154 V 4.0087 8.3094 125.7941 62.0879 32.4150 174.9890 155 L 4.8177 8.2704 126.5136 52.7499 44.2521 176.0774 156 R 4.3453 8.3697 117.1295 55.1560 30.8863 176.1727 157 E 4.0550 8.4982 119.3660 56.3999 29.5981 176.8542 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 D 8.21 4.65 0.00 2.84 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 3 T 7.72 3.80 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 1.21 0.00 0.00 4 R 8.33 4.00 0.00 1.94 1.97 0.00 3.23 0.00 0.00 3.38 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 5 K 7.58 4.14 0.00 1.94 1.72 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.35 7.81 6 L 7.81 4.49 0.00 1.71 1.74 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.22 4.52 0.00 1.59 1.71 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.27 4.76 0.00 1.64 1.58 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.93 4.12 4.38 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 1.25 0.00 0.00 10 A 8.64 4.01 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.00 3.95 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 12 E 7.96 3.99 0.00 2.14 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 2.35 2.36 0.00 13 I 7.95 3.88 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 1.54 0.62 0.93 0.00 0.00 14 S 8.15 4.46 0.00 3.97 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 15 R 7.51 4.12 0.00 1.95 1.91 0.00 3.20 0.00 0.00 3.23 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 *17 K 8.15 4.22 0.00 2.04 1.92 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.02 7.81 18 G 8.21 4.17 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 0.00 0.00 0.00 19 E 8.81 4.76 0.00 1.88 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 2.24 2.24 0.00 20 H 8.88 4.91 0.00 3.17 3.23 0.00 5.67 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 9.07 4.66 0.00 1.63 1.63 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.49 7.81 22 V 8.20 4.89 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 0.80 0.00 0.00 0.91 0.00 0.00 23 H 9.08 4.47 0.00 3.31 3.29 0.00 5.65 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 9.28 4.35 0.00 3.15 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 25 L 7.54 4.18 0.00 0.98 1.22 -0.49 0.43 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 26 N 8.05 4.65 0.00 2.79 2.57 0.00 0.00 7.15 7.86 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 27 P 0.00 4.28 0.00 2.07 2.10 0.00 3.69 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 2.01 2.07 0.00 28 G 8.56 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 29 A 7.82 5.19 1.37 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 0.00 0.00 0.00 30 V 7.89 4.99 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 0.91 0.00 0.00 0.97 0.00 0.00 31 R 8.89 4.89 0.00 2.02 1.98 0.00 2.88 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 32 V 8.64 4.73 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 0.95 0.00 0.00 0.98 0.00 0.00 33 N 9.37 5.48 0.00 2.83 2.65 0.00 0.00 6.57 6.64 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 34 K 9.10 4.74 0.00 1.73 1.72 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.37 7.81 35 S 8.66 4.64 0.00 3.95 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 36 L 8.42 4.02 0.00 1.84 1.70 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.20 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.09 4.36 0.00 2.75 2.74 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 0.00 0.00 0.00 0.00 39 A 7.84 4.05 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.41 4.20 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 0.93 0.00 0.00 0.98 0.00 0.00 41 G 7.46 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 0.00 0.00 0.00 42 L 7.82 4.14 0.00 1.72 1.60 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.41 4.51 0.00 1.45 1.84 0.00 3.18 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.64 0.00 44 H 7.86 4.89 0.00 3.09 3.26 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *46 G 8.06 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 I 8.05 5.14 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.67 0.93 0.00 0.00 48 H 9.44 5.39 0.00 3.06 3.31 0.00 5.60 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 9.00 5.13 0.00 1.79 1.58 1.03 0.83 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 50 I 9.12 5.15 1.91 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 1.45 0.84 1.00 0.00 0.00 51 Q 8.86 5.15 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 52 I 8.76 4.78 1.89 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 1.25 0.86 0.96 0.00 0.00 53 E 8.75 4.64 0.00 1.91 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 2.40 2.30 0.00 54 P 0.00 4.50 0.00 2.04 2.21 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 55 G 9.40 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 7.84 4.68 0.00 1.90 1.83 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.36 1.53 7.81 57 E 8.69 5.37 0.00 1.88 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 2.31 2.21 0.00 58 S 9.04 4.37 0.00 3.89 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 59 T 7.33 4.15 4.31 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 1.16 0.00 0.00 60 E 8.35 4.36 0.00 1.68 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 1.99 2.49 0.00 61 Y 8.83 4.75 0.00 3.02 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 62 H 7.81 4.63 0.00 2.67 3.38 0.00 5.47 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.10 4.64 0.00 1.48 1.26 0.81 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 64 H 8.76 4.91 0.00 3.11 3.16 0.00 5.66 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 9.05 3.92 0.00 3.00 2.96 0.00 5.61 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.53 4.42 0.00 3.06 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 67 E 8.34 4.64 0.00 1.78 1.80 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 2.28 2.43 0.00 68 E 9.36 4.51 0.00 2.05 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 2.48 2.27 0.00 69 E 8.60 5.28 0.00 2.09 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 2.32 2.32 0.00 70 A 9.48 5.06 1.14 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 71 V 8.48 4.90 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 1.05 0.00 0.00 1.02 0.00 0.00 72 Y 9.09 5.19 0.00 3.26 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 73 V 8.24 3.99 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 0.62 0.00 0.00 0.87 0.00 0.00 74 L 8.87 4.48 0.00 1.70 1.74 1.01 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 75 S 8.00 4.46 0.00 3.86 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 76 G 9.18 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 77 K 8.10 4.87 0.00 1.59 1.66 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.74 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.43 7.81 78 G 8.95 4.25 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 0.00 0.00 0.00 79 T 8.99 5.14 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 1.23 0.00 0.00 80 L 9.43 4.83 0.00 1.82 1.86 1.12 0.67 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 81 T 9.03 5.50 4.31 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 1.12 0.00 0.00 *83 E 8.01 4.35 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 84 N 8.51 4.16 0.00 2.92 2.87 0.00 0.00 6.62 7.53 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 85 D 7.62 4.95 0.00 2.80 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 0.00 0.00 0.00 86 Q 8.04 5.13 0.00 1.78 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.69 0.00 0.00 0.00 0.00 0.00 2.23 2.40 0.00 87 Y 9.13 4.90 0.00 2.86 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 88 P 0.00 4.98 0.00 2.10 2.08 0.00 3.83 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 2.03 1.99 0.00 89 I 8.79 5.01 1.86 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 1.25 0.88 1.00 0.00 0.00 90 A 8.88 4.98 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.36 0.00 2.02 2.17 0.00 3.66 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 2.01 2.16 0.00 92 G 8.72 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 7.63 4.68 0.00 2.63 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 F 8.76 5.55 0.00 3.20 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 95 V 8.11 4.05 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.32 0.00 0.00 96 G 7.90 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 F 8.74 4.76 0.00 3.02 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 4.59 0.00 2.07 1.97 0.00 3.59 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 99 C 8.66 4.21 0.00 2.88 2.74 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 0.00 0.00 0.00 0.00 100 H 8.59 3.94 0.00 3.24 3.30 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 A 8.06 4.11 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.48 4.76 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 9.30 4.13 0.40 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 0.00 104 H 8.15 5.35 0.00 3.34 3.13 0.00 5.27 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 S 9.29 4.83 0.00 3.90 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 0.00 106 I 8.58 5.24 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.90 0.96 0.00 0.00 107 S 9.12 5.11 0.00 3.85 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 N 9.04 4.91 0.00 2.87 2.91 0.00 0.00 7.25 8.53 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 0.00 109 D 8.55 4.90 0.00 2.69 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 0.00 110 G 8.17 4.06 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 0.00 0.00 0.00 111 T 8.45 4.40 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 1.21 0.00 0.00 112 E 7.74 4.75 0.00 1.95 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 2.21 2.23 0.00 113 T 8.28 4.08 4.25 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 1.28 0.00 0.00 114 L 8.89 4.91 0.00 1.77 1.70 0.95 1.08 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 0.00 115 V 8.88 4.93 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 1.11 0.00 0.00 0.95 0.00 0.00 116 C 9.06 5.42 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 0.00 117 L 8.96 5.16 0.00 1.77 1.70 0.99 1.10 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 0.00 118 V 9.15 4.85 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.01 0.00 0.00 119 I 9.14 5.11 1.97 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.63 0.97 0.00 0.00 120 G 9.21 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 0.00 0.00 0.00 0.00 121 Q 8.77 4.42 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.64 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 122 R 8.71 4.75 0.00 1.69 1.87 0.00 3.25 0.00 0.00 3.26 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 123 L 9.17 4.89 0.00 1.45 1.53 1.03 1.02 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 0.00 124 D 8.78 4.56 0.00 2.58 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 0.00 125 Q 7.84 5.06 0.00 1.67 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.23 0.00 126 D 8.89 4.87 0.00 2.74 2.37 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 0.00 127 V 8.47 4.73 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 0.55 0.00 0.00 1.12 0.00 0.00 128 V 8.52 4.46 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 0.21 0.00 0.00 0.76 0.00 0.00 129 D 8.64 4.87 0.00 2.44 2.42 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 0.00 130 Y 8.46 5.25 0.00 2.82 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 0.00 131 P 0.00 4.30 0.00 2.41 2.17 0.00 3.71 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 1.98 2.04 0.00 132 N 8.31 4.36 0.00 2.90 2.84 0.00 0.00 6.84 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Q 8.00 4.26 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.29 0.00 134 H 7.66 4.11 0.00 3.36 3.36 0.00 5.56 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 K 7.58 4.97 0.00 1.74 1.74 0.00 1.57 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.58 1.62 7.81 136 R 8.96 4.83 0.00 1.73 1.59 0.00 2.93 0.00 0.00 2.73 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.14 0.00 137 L 8.82 5.03 0.00 2.06 1.71 1.02 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 138 Y 8.93 4.77 0.00 2.91 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 0.00 139 R 8.89 4.66 0.00 1.13 1.43 0.00 2.79 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.89 0.00 140 N 9.27 5.01 0.00 2.61 2.69 0.00 0.00 6.80 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 N 9.96 4.33 0.00 2.77 2.83 0.00 0.00 7.20 7.20 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 0.00 142 G 8.30 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 0.00 143 E 8.29 4.35 0.00 2.09 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 2.38 2.36 0.00 144 W 8.91 5.29 0.00 3.01 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 0.00 145 N 9.44 5.09 0.00 2.84 2.87 0.00 0.00 6.09 7.40 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 0.00 146 L 8.84 5.21 0.00 1.84 1.70 1.13 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 147 V 8.90 4.50 2.32 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 1.12 0.00 0.00 1.19 0.00 0.00 148 D 8.93 5.28 0.00 3.05 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *150 A 8.46 4.22 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 0.00 151 D 8.28 4.73 0.00 2.85 2.74 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 0.00 0.00 0.00 0.00 152 I 7.58 4.24 1.94 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.80 1.02 0.00 0.00 153 R 8.47 4.37 0.00 1.78 1.86 0.00 3.24 0.00 0.00 3.16 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 154 V 8.31 4.01 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 0.89 0.00 0.00 0.97 0.00 0.00 155 L 8.27 4.82 0.00 1.66 1.55 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 156 R 8.37 4.35 0.00 1.92 1.93 0.00 3.08 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 157 E 8.50 4.05 0.00 1.96 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 2.30 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.