NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.7889 8.0027 118.3457 58.6924 39.1041 173.2865 2 T 4.2612 8.5927 114.0163 61.9288 70.4609 172.5601 3 G 4.1148 9.2285 114.3846 45.3095 0.0000 173.8595 4 F 4.2846 8.7968 123.9196 58.2713 40.1352 174.0530 5 T 4.7312 6.8014 116.5146 58.4120 73.2738 173.0176 6 P 3.9690 0.0000 0.0000 65.7264 31.2946 178.6037 7 E 4.0076 7.9464 117.5854 59.2451 29.4782 178.8976 8 R 3.8942 7.8291 118.2166 59.3752 29.8522 178.4185 9 Y 4.4953 7.5519 118.3979 60.8112 38.9076 177.2299 10 N 4.5749 8.4082 117.1690 56.2539 39.1414 176.8175 11 K 4.1299 7.7064 118.8996 57.8608 32.4263 177.5524 12 I 3.8776 6.8423 120.4645 60.8026 37.6379 175.2688 13 Q 4.2824 7.8640 122.5241 53.4294 32.5788 175.1550 14 F 3.6139 7.7277 118.3810 58.3595 39.2288 173.2701 15 G 3.5929 8.0668 116.9624 45.9556 0.0000 173.0064 *17 D 4.6070 8.0099 123.9228 53.2766 43.5746 175.3723 18 R 3.3124 8.2228 124.6641 59.7817 29.9034 179.1429 19 T 3.8186 8.2974 109.4955 64.6555 68.5749 176.2254 20 L 4.0351 7.7458 122.6861 57.6343 42.1757 178.7904 21 V 3.4547 8.0871 118.5545 65.6201 31.4458 177.6600 22 W 4.1879 8.4186 128.2527 60.5856 30.6244 177.7208 23 Q 3.9152 8.2655 119.2984 59.3779 28.3890 178.2613 24 L 4.0501 7.9682 118.3642 57.4737 41.6814 179.0031 25 A 4.5381 8.0856 120.2287 53.1690 18.7076 178.0639 26 G 3.9861 8.4353 104.2934 45.2232 0.0000 174.4991 27 A 2.0000 7.4718 122.5218 52.5013 17.1280 180.8141 28 D 4.4989 8.6350 113.8543 58.5698 41.4879 177.7443 29 Q 4.2319 8.1933 118.1532 58.3043 28.9671 177.6878 30 S 5.1585 7.6451 110.8161 57.4406 65.8434 173.6053 31 C 5.0497 8.1356 115.5603 54.7581 43.0022 173.4198 32 S 4.8262 8.8048 115.6766 56.6115 65.0872 172.4328 33 D 4.9603 8.9275 126.9396 53.0610 41.0950 175.5627 34 Q 4.2012 8.7497 124.6350 55.6992 27.6290 176.8158 35 V 3.7048 8.1880 123.5921 63.3156 31.7511 173.2881 36 E 4.2249 7.9121 119.7265 58.9530 30.0801 176.3697 37 R 4.5340 7.3097 111.4208 55.3368 33.2910 173.7488 38 I 4.9392 8.6071 121.0107 59.7298 39.8573 174.8458 39 I 4.3743 8.5712 127.3872 59.4741 39.9068 173.9178 40 C 5.0145 8.5469 124.1497 55.0930 43.6812 172.4945 41 Y 5.0329 8.8304 121.2480 56.1761 39.8767 176.3568 42 N 5.2243 9.7337 123.3825 56.2294 40.2079 174.0862 43 N 5.3168 7.8862 111.9774 51.1909 40.1946 172.3014 44 P 4.2709 0.0000 0.0000 64.3313 31.5087 176.3682 45 D 4.3347 8.5944 118.7574 54.4418 40.4467 175.8545 46 H 4.8006 8.3488 123.2788 56.4148 29.0938 175.7793 47 Y 4.6494 7.8970 116.8707 58.6298 38.2129 176.0206 48 G 4.0733 7.9498 109.5440 43.8112 0.0000 171.4332 49 P 4.5423 0.0000 0.0000 63.3731 31.9035 175.7925 50 Q 4.9535 8.5366 119.0525 55.3469 31.7738 172.9495 51 G 4.0715 8.4595 108.0864 44.8171 0.0000 171.9901 52 H 5.1551 8.7455 119.5662 53.5186 32.5064 172.9544 53 F 5.3600 8.5615 119.7536 55.8272 42.9958 173.9846 54 F 5.1714 9.2207 120.5167 55.6896 43.1258 173.8746 55 F 5.4663 8.8690 119.4101 55.6389 42.2924 175.3513 56 N 4.7841 9.0671 119.4115 51.8868 38.7473 175.6785 57 A 3.9483 8.6284 119.8668 55.1955 18.4103 178.1796 58 A 4.3924 8.2104 116.4306 51.9110 18.9046 176.6346 59 D 4.5657 8.3362 116.1433 55.9165 39.0909 173.3937 60 K 5.0613 8.5178 117.7393 54.1470 34.4508 175.7597 61 L 4.2001 8.6366 125.0928 55.4850 42.8275 176.8331 62 I 4.8180 8.9513 118.2660 60.8479 39.8381 174.5460 63 H 5.4295 8.0729 122.9754 55.5740 33.3271 171.8884 64 K 5.1749 9.4779 125.5764 54.6627 35.2187 175.2266 65 R 5.4107 9.1097 124.8060 54.9550 33.7972 174.1606 66 Q 4.6424 8.5331 121.6450 54.4898 31.7738 174.9013 *68 E 4.2423 8.6362 118.7366 56.3850 30.9597 176.9111 69 L 3.9566 7.9655 121.0484 56.8084 42.2233 177.3991 70 F 4.8189 8.2323 116.3410 54.8030 39.4410 172.4839 71 P 4.4400 0.0000 0.0000 61.6180 32.4017 177.1465 72 A 4.2002 8.5299 122.7073 52.2006 18.4944 176.2656 73 P 4.4789 0.0000 0.0000 64.8142 31.9480 176.8013 74 K 4.4860 8.1592 118.5566 53.4131 32.3688 171.6239 75 P 4.5374 0.0000 0.0000 62.1722 31.9629 176.3965 76 T 4.4635 8.7710 114.0137 59.2131 71.7538 174.2428 *78 R 4.1667 8.3251 123.8641 55.6182 32.6446 176.3511 79 L 4.0837 8.3065 121.0914 58.2858 41.9036 178.9764 80 A 4.0314 8.0042 119.6754 55.4522 18.6616 179.2687 81 T 3.9665 7.8995 113.8017 66.9343 68.5383 176.1131 82 Y 4.3300 8.0814 121.4694 60.8053 38.6466 177.4860 83 N 4.5003 8.2893 115.5579 54.8557 38.8297 176.8569 84 K 4.1109 7.7456 119.6818 57.4381 32.5182 177.1322 85 T 4.3804 6.7250 108.7220 60.7100 70.2360 173.9103 86 Q 4.5186 8.0344 122.2994 54.5278 32.0739 174.3601 87 T 3.8770 8.2635 114.3107 63.3674 69.6666 174.4042 88 G 3.8685 8.6531 112.0240 46.6267 0.0000 172.8446 *90 T 4.3808 7.2957 110.3519 61.5098 71.7521 174.6873 91 E 3.2959 8.1674 120.6428 59.3200 29.4133 179.6667 92 A 4.1383 7.9658 120.2751 55.3550 18.6601 179.5858 93 Q 3.9679 8.1053 116.4379 58.9005 28.7377 178.5890 94 F 4.0378 8.4031 121.9214 61.1540 39.2248 177.0441 95 W 4.5740 8.4819 117.5184 58.0328 28.9981 177.8721 96 A 4.1536 7.8381 119.6467 54.0620 17.9578 178.5743 97 A 4.3013 7.0872 117.0364 51.8271 19.5768 177.5827 98 V 4.1269 7.0217 117.3185 60.0034 33.8900 173.0781 99 P 4.5279 0.0000 0.0000 62.3180 32.0871 177.4044 100 S 3.7820 8.7100 117.4479 61.3484 62.5155 175.4740 101 D 4.4877 7.9923 118.6147 56.2316 40.8816 176.9269 102 T 4.6983 8.0116 113.1228 61.2841 67.6217 172.9816 103 C 5.5511 8.2284 117.1078 55.8345 39.4785 172.9481 104 S 5.0132 9.3622 117.7902 56.6648 64.3905 173.3956 105 A 4.3918 8.8477 128.6458 51.7467 17.2641 176.7835 106 L 4.2603 8.9719 124.3084 58.6781 43.4200 176.4775 107 A 5.2566 7.5660 117.7293 50.9229 22.9697 174.6686 108 E 4.9443 9.2823 120.2180 54.6544 33.4630 174.3881 109 Q 4.9152 9.0721 125.1725 54.4203 33.2144 174.0649 110 Y 5.0869 8.7608 121.0552 55.0456 37.7917 174.4374 111 P 4.3487 0.0000 0.0000 64.7711 32.2581 177.1926 112 N 4.9262 8.1383 113.7796 52.3036 38.9820 173.8507 113 W 4.6339 8.4031 128.1601 56.8982 30.8725 174.0604 114 P 2.9700 0.0000 0.0000 62.3036 31.3364 176.0448 115 A 4.0113 7.7613 123.3784 52.4173 18.9313 178.3048 116 T 4.6623 8.0448 109.2752 61.2256 69.6384 174.6954 117 N 4.6501 7.9237 119.7350 54.0128 38.1808 174.7074 118 G 3.8152 9.0978 106.6380 46.1748 0.0000 173.2317 119 N 4.3380 8.3193 119.4718 53.3476 40.0301 173.5450 120 L 5.1676 8.4474 126.1357 52.9163 44.7496 175.3868 121 R 4.8435 9.0844 123.6685 54.5568 33.2158 173.5841 122 E 5.2238 8.8309 125.7257 54.7445 32.8251 174.7105 123 Y 5.3996 9.2344 120.8614 56.2451 42.3517 174.5160 124 V 4.4778 8.7481 122.4216 61.3445 34.6392 173.6743 125 C 5.7675 9.4644 125.6353 53.6250 42.2287 171.8610 126 P 5.2164 0.0000 0.0000 61.4017 32.1246 176.4549 127 S 4.4929 8.6213 114.6531 59.2027 63.7088 173.8679 128 K 4.4599 7.4163 117.9670 55.9108 34.7617 175.3073 129 A 4.2113 8.4165 121.7796 53.6019 18.8299 178.1053 130 E 4.0629 8.0085 114.2395 56.0590 30.1241 176.8618 131 R 3.5934 8.1767 119.6969 57.5453 30.4834 176.3299 132 F 3.9859 8.0760 117.6878 58.4516 36.4534 175.6550 133 A 4.3524 7.4113 121.0427 51.2805 19.0415 176.7184 134 P 4.5063 0.0000 0.0000 63.6110 32.3006 175.6715 135 S 5.0610 8.4650 115.4099 57.1928 68.0539 172.7818 136 A 4.6201 8.5082 123.1127 50.6528 21.7243 175.5692 137 Y 4.9571 8.6029 117.5998 56.1159 41.5125 174.9835 138 F 5.4340 9.3706 121.7163 56.0219 43.5911 173.8492 139 T 4.9801 8.6590 118.8830 61.8056 71.7486 172.8692 140 F 4.8958 9.3428 125.5099 56.3424 41.4598 174.8848 141 T 4.7489 8.8038 120.2727 62.2115 70.5154 174.6633 142 D 4.1445 10.0754 128.8886 55.2895 39.2286 174.9773 143 G 3.9890 8.6037 105.2234 45.0883 0.0000 173.2968 144 K 4.6975 7.9906 119.3938 53.9152 34.9049 175.0448 145 L 3.7730 8.5488 125.7204 55.3144 42.3479 176.7656 146 T 4.7422 8.6318 116.2245 61.5889 70.9352 174.5160 147 S 4.8556 7.6648 118.0679 56.8485 67.4740 173.0869 148 R 5.2909 8.5072 119.4202 54.9742 32.4081 174.1213 149 S 5.0225 9.1417 115.5456 58.2826 66.8516 172.6941 150 Q 5.0072 7.9833 117.4597 55.2038 30.0468 173.6492 151 S 4.4686 8.2174 113.4523 57.4609 66.6853 174.0204 152 Q 3.4368 8.9004 119.0220 56.7059 26.3964 173.8887 153 L 4.1555 7.9851 117.3959 54.1597 42.2320 175.6052 154 P 4.4617 0.0000 0.0000 63.0237 31.5762 175.7623 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 Y 8.00 4.79 0.00 3.03 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 2 T 8.59 4.26 4.29 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 0.00 0.00 0.00 1.25 0.00 0.00 3 G 9.23 4.11 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 0.00 4 F 8.80 4.28 0.00 3.16 3.10 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 0.00 0.00 0.00 0.00 5 T 6.80 4.73 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 1.19 0.00 0.00 6 P 0.00 3.97 0.00 2.00 1.37 0.00 3.39 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.71 0.00 7 E 7.95 4.01 0.00 1.97 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 2.38 2.33 0.00 8 R 7.83 3.89 0.00 1.35 1.95 0.00 3.09 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.49 0.00 9 Y 7.55 4.50 0.00 3.07 3.35 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 10 N 8.41 4.57 0.00 2.96 3.06 0.00 0.00 7.28 5.97 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 11 K 7.71 4.13 0.00 1.99 1.83 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.47 1.73 7.81 12 I 6.84 3.88 1.76 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.51 0.30 0.00 0.00 13 Q 7.86 4.28 0.00 1.83 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.99 0.00 0.00 0.00 0.00 0.00 2.35 2.23 0.00 14 F 7.73 3.61 0.00 1.51 1.45 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 15 G 8.07 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *17 D 8.01 4.61 0.00 2.85 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 18 R 8.22 3.31 0.00 1.24 1.50 0.00 2.99 0.00 0.00 2.78 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.00 19 T 8.30 3.82 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 1.11 0.00 0.00 20 L 7.75 4.04 0.00 1.79 1.88 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.09 3.45 2.36 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 0.56 0.00 0.00 1.02 0.00 0.00 22 W 8.42 4.19 0.00 3.48 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 23 Q 8.27 3.92 0.00 2.26 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 24 L 7.97 4.05 0.00 1.62 1.70 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.09 4.54 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.44 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 0.00 0.00 0.00 27 A 7.47 2.00 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 28 D 8.64 4.50 0.00 2.79 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 29 Q 8.19 4.23 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.67 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 30 S 7.65 5.16 0.00 3.79 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 31 C 8.14 5.05 0.00 1.69 2.73 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 32 S 8.80 4.83 0.00 3.49 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 D 8.93 4.96 0.00 2.13 2.33 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 34 Q 8.75 4.20 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 5.44 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 35 V 8.19 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 0.86 0.00 0.00 0.89 0.00 0.00 36 E 7.91 4.22 0.00 2.01 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 2.43 2.33 0.00 37 R 7.31 4.53 0.00 0.72 1.27 0.00 2.49 0.00 0.00 2.61 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.22 0.00 38 I 8.61 4.94 2.21 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.87 1.19 0.00 0.00 39 I 8.57 4.37 1.52 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.38 0.04 0.00 0.00 40 C 8.55 5.01 0.00 1.64 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 8.83 5.03 0.00 2.96 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 42 N 9.73 5.22 0.00 2.89 2.95 0.00 0.00 6.60 6.93 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 43 N 7.89 5.32 0.00 2.83 2.80 0.00 0.00 6.42 7.75 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 44 P 0.00 4.27 0.00 1.98 2.05 0.00 3.73 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 2.00 2.02 0.00 45 D 8.59 4.33 0.00 2.76 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 46 H 8.35 4.80 0.00 2.86 2.93 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 7.90 4.65 0.00 3.27 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 48 G 7.95 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.54 0.00 2.10 2.11 0.00 3.69 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 50 Q 8.54 4.95 0.00 1.84 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.28 0.00 51 G 8.46 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 8.75 5.16 0.00 2.87 2.67 0.00 5.58 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 53 F 8.56 5.36 0.00 2.95 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.22 5.17 0.00 2.85 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 55 F 8.87 5.47 0.00 3.00 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 56 N 9.07 4.78 0.00 3.06 3.12 0.00 0.00 6.95 6.68 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 57 A 8.63 3.95 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 58 A 8.21 4.39 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 59 D 8.34 4.57 0.00 2.86 2.69 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 0.00 0.00 0.00 0.00 60 K 8.52 5.06 0.00 1.93 1.98 0.00 1.95 0.00 0.00 1.67 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.63 7.81 61 L 8.64 4.20 0.00 1.70 1.38 0.52 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.95 4.82 2.16 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.22 1.16 0.00 0.00 63 H 8.07 5.43 0.00 3.16 3.20 0.00 5.63 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 9.48 5.17 0.00 1.80 1.58 0.00 0.78 0.00 0.00 0.96 0.00 0.00 2.13 0.00 0.00 2.26 0.00 0.00 0.00 0.00 1.37 0.98 7.81 65 R 9.11 5.41 0.00 2.00 1.83 0.00 3.20 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.70 0.00 66 Q 8.53 4.64 0.00 1.73 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.75 0.00 0.00 0.00 0.00 0.00 2.15 2.37 0.00 *68 E 8.64 4.24 0.00 1.98 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 2.19 2.34 0.00 69 L 7.97 3.96 0.00 1.28 0.97 0.96 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 70 F 8.23 4.82 0.00 2.95 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 71 P 0.00 4.44 0.00 2.18 2.05 0.00 3.77 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 72 A 8.53 4.20 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 73 P 0.00 4.48 0.00 2.20 2.21 0.00 3.85 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.02 0.00 74 K 8.16 4.49 0.00 1.75 1.73 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.51 7.81 75 P 0.00 4.54 0.00 2.11 2.07 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 76 T 8.77 4.46 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 1.26 0.00 0.00 *78 R 8.33 4.17 0.00 1.94 1.97 0.00 3.14 0.00 0.00 3.28 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.96 0.00 79 L 8.31 4.08 0.00 1.93 1.70 1.04 0.96 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 80 A 8.00 4.03 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 81 T 7.90 3.97 4.44 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 1.20 0.00 0.00 82 Y 8.08 4.33 0.00 3.16 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 83 N 8.29 4.50 0.00 3.00 2.87 0.00 0.00 7.09 8.11 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 84 K 7.75 4.11 0.00 1.78 1.79 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.65 7.81 85 T 6.72 4.38 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 1.02 0.00 0.00 86 Q 8.03 4.52 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.98 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00 87 T 8.26 3.88 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 88 G 8.65 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 *90 T 7.30 4.38 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 1.24 0.00 0.00 91 E 8.17 3.30 0.00 1.89 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 1.47 1.92 0.00 92 A 7.97 4.14 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 93 Q 8.11 3.97 0.00 2.34 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 94 F 8.40 4.04 0.00 2.99 2.81 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 95 W 8.48 4.57 0.00 3.29 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 7.84 4.15 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 97 A 7.09 4.30 1.12 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 98 V 7.02 4.13 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 0.00 0.00 0.89 0.00 0.00 0.18 0.00 0.00 99 P 0.00 4.53 0.00 2.24 1.96 0.00 3.66 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 2.12 2.06 0.00 100 S 8.71 3.78 0.00 2.83 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 D 7.99 4.49 0.00 2.73 2.69 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 0.00 0.00 0.00 0.00 102 T 8.01 4.70 4.29 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 0.00 0.00 0.00 1.39 0.00 0.00 103 C 8.23 5.55 0.00 3.35 3.35 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 0.00 104 S 9.36 5.01 0.00 4.02 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 0.00 105 A 8.85 4.39 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 0.00 106 L 8.97 4.26 0.00 1.91 1.89 1.06 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.57 5.26 1.24 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 0.00 0.00 108 E 9.28 4.94 0.00 2.13 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 2.46 2.24 0.00 109 Q 9.07 4.92 0.00 1.71 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.60 0.00 0.00 0.00 0.00 0.00 1.64 1.99 0.00 110 Y 8.76 5.09 0.00 2.62 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 0.00 111 P 0.00 4.35 0.00 2.06 2.14 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.06 0.00 112 N 8.14 4.93 0.00 2.84 2.81 0.00 0.00 6.77 7.68 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 0.00 113 W 8.40 4.63 0.00 3.66 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 0.00 114 P 0.00 2.97 0.00 1.78 1.82 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.86 0.00 115 A 7.76 4.01 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 116 T 8.04 4.66 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 117 N 7.92 4.65 0.00 2.86 2.86 0.00 0.00 6.16 7.00 0.00 0.00 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 G 9.10 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 0.00 0.00 0.00 119 N 8.32 4.34 0.00 2.88 2.76 0.00 0.00 7.08 6.81 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 0.00 120 L 8.45 5.17 0.00 1.45 1.42 0.81 0.40 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 0.00 121 R 9.08 4.84 0.00 1.74 1.78 0.00 3.21 0.00 0.00 3.37 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.54 0.00 122 E 8.83 5.22 0.00 1.87 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 2.16 2.15 0.00 123 Y 9.23 5.40 0.00 3.17 3.11 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 0.00 124 V 8.75 4.48 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 0.50 0.00 0.00 1.08 0.00 0.00 125 C 9.46 5.77 0.00 3.02 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 0.00 126 P 0.00 5.22 0.00 2.27 2.04 0.00 3.58 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.80 0.00 127 S 8.62 4.49 0.00 4.15 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 K 7.42 4.46 0.00 1.84 1.80 0.00 1.57 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.32 1.43 7.81 129 A 8.42 4.21 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 130 E 8.01 4.06 0.00 2.15 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 2.36 2.34 0.00 131 R 8.18 3.59 0.00 1.36 0.66 0.00 2.98 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.45 0.00 132 F 8.08 3.99 0.00 3.25 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 0.00 133 A 7.41 4.35 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 0.00 134 P 0.00 4.51 0.00 2.09 2.16 0.00 3.59 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 2.13 2.16 0.00 135 S 8.46 5.06 0.00 3.46 3.29 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 0.00 0.00 0.00 0.00 136 A 8.51 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 137 Y 8.60 4.96 0.00 2.78 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 0.00 138 F 9.37 5.43 0.00 2.94 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 T 8.66 4.98 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 1.15 0.00 0.00 140 F 9.34 4.90 0.00 2.93 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 0.00 141 T 8.80 4.75 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 1.19 0.00 0.00 142 D 10.08 4.14 0.00 2.72 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 0.00 143 G 8.60 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 0.00 0.00 0.00 144 K 7.99 4.70 0.00 1.81 1.72 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.50 7.81 145 L 8.55 3.77 0.00 1.37 1.38 0.04 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 146 T 8.63 4.74 4.19 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 1.24 0.00 0.00 147 S 7.66 4.86 0.00 3.67 3.68 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 0.00 148 R 8.51 5.29 0.00 2.02 2.11 0.00 3.07 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 149 S 9.14 5.02 0.00 3.85 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 0.00 150 Q 7.98 5.01 0.00 1.78 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 1.16 1.49 0.00 151 S 8.22 4.47 0.00 3.82 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 0.00 152 Q 8.90 3.44 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.99 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 153 L 7.99 4.16 0.00 1.62 1.61 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 154 P 0.00 4.46 0.00 2.18 2.03 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 1.96 1.96 0.00 * Residues marked with a * may have inaccurate shift predictions.