NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 E 4.2005 8.4444 121.4553 55.7864 30.8063 174.6211 17 I 4.1746 8.2778 125.8051 60.3956 38.9263 173.1281 18 Q 4.7215 9.7803 130.0700 54.2472 31.2547 174.5787 19 I 3.9952 8.5300 125.4015 61.0871 38.1099 176.1441 20 G 3.9908 8.0887 114.4038 44.2008 0.0000 172.3720 21 P 4.4176 0.0000 0.0000 65.3852 32.2594 177.7921 22 G 4.3658 8.8720 107.0242 45.6524 0.0000 173.4910 23 S 4.4274 8.6414 117.9542 58.2046 66.2122 174.5138 24 A 4.2972 8.3743 120.6164 54.2052 18.8654 178.6743 25 T 4.8066 8.4644 105.1636 60.8917 71.1976 173.3478 26 R 5.2011 7.9943 122.0514 55.3878 33.8059 173.2749 27 L 4.9892 9.0043 126.1808 53.0639 44.3702 175.3951 28 E 5.0722 8.2686 121.9222 54.8392 32.9954 174.8048 29 F 5.4166 8.4583 118.5692 56.7332 44.1712 173.5186 30 R 5.1019 8.8179 118.6394 55.2613 35.0955 174.4811 31 R 4.5698 8.5376 121.5955 55.5750 33.8718 173.6317 32 H 4.9371 8.6058 126.3860 56.0653 31.2063 174.1635 33 F 4.7029 8.4109 120.8941 55.7437 43.4772 174.3425 34 A 4.8061 8.5716 125.4741 49.3728 16.5358 175.9294 35 A 4.3524 7.4205 121.9651 50.8502 22.5750 176.7503 36 T 4.2270 8.7398 110.9695 60.4283 69.8222 174.3123 37 P 4.3248 0.0000 0.0000 66.2248 30.6911 178.5719 38 E 4.0187 7.7538 118.3831 59.3584 29.3474 179.2035 39 Q 4.0043 8.2019 118.1385 58.9255 29.0103 178.4082 40 L 3.7438 7.8307 120.7348 57.5882 42.0600 178.6685 41 W 3.9778 8.2637 128.4874 60.2056 30.6597 177.9154 42 A 4.0576 7.9166 120.7149 55.0689 17.5902 179.4766 43 A 4.0028 7.8982 118.4500 54.5670 18.5058 179.0125 44 L 4.5084 7.3916 115.3480 55.6167 42.1951 177.3642 45 T 3.5021 7.1089 106.1995 60.7268 70.6410 174.1393 46 S 4.4022 7.8298 118.3818 56.9768 62.9392 173.0456 47 P 4.2111 0.0000 0.0000 64.7089 31.2185 178.0565 48 A 4.1791 7.6701 118.9466 53.8694 18.7013 178.5668 49 L 4.4475 7.5890 116.4399 56.4138 42.8082 178.4089 50 L 3.6361 8.0048 119.3426 57.6840 41.3875 178.0184 51 P 3.9033 0.0000 0.0000 65.0232 31.2937 177.8219 52 A 4.3577 7.9508 118.4445 53.3830 18.5456 177.7303 53 W 5.4150 7.5064 109.8548 56.1717 31.5044 175.4975 54 L 3.8560 6.8625 122.7894 53.3557 39.6177 175.4832 55 F 4.5953 8.2394 120.3369 55.8375 40.8867 175.7813 56 A 4.1544 8.2131 125.2929 51.1432 19.1704 176.5040 57 R 3.6058 8.7197 120.0099 58.0336 27.9591 178.5721 58 G 3.7094 8.3950 106.7483 45.0554 0.0000 174.6012 59 W 4.6398 7.5576 121.2347 55.7048 31.0704 174.0603 60 P 4.4828 0.0000 0.0000 62.4960 30.0701 180.0672 *62 T 4.3031 8.5464 107.0487 60.8904 70.5762 172.3492 63 E 4.5302 7.7609 122.5411 54.5538 33.4766 174.0167 64 C 4.6726 8.4874 126.5684 58.3295 33.9665 172.6280 65 V 4.3773 9.0204 127.9628 61.0232 33.8265 174.6169 66 F 4.4920 8.6443 129.7541 57.8778 41.2984 173.1663 67 E 4.5240 8.5879 128.4215 53.0287 30.6015 175.8577 68 P 5.0377 0.0000 0.0000 61.7882 30.7238 175.5880 69 H 4.9363 7.2788 112.9532 54.0423 31.9747 172.8607 70 K 3.9453 8.7352 121.5719 58.9802 31.9374 176.5207 71 G 4.0161 9.5738 116.1605 44.8821 0.0000 173.6604 72 G 4.0064 8.3851 107.5324 46.0693 0.0000 173.2646 73 L 4.6042 9.0767 126.0638 54.7948 44.0026 175.5848 74 I 4.8744 7.8167 122.2473 59.5802 41.5517 174.4474 75 R 4.8430 8.9638 127.3167 55.2382 33.7095 173.5973 76 Q 4.5441 8.9943 125.1985 53.9563 32.9159 174.3343 77 V 4.6254 8.1497 123.6898 60.6667 34.8811 174.1916 78 W 5.1410 9.5217 126.7380 55.1710 32.7683 174.4502 79 T 4.8727 8.6879 119.4896 61.8634 69.8254 174.0740 80 G 2.6351 8.3289 118.1266 43.5581 0.0000 170.7341 81 P 3.8631 0.0000 0.0000 63.6501 31.8651 175.9861 82 E 3.6418 9.2834 120.1015 56.8316 26.6295 176.3873 83 G 3.9325 7.8050 106.2629 45.4125 0.0000 174.8915 84 R 4.1332 7.2813 117.4380 56.7516 30.3927 176.0034 85 T 5.1617 8.3314 110.5506 60.2054 72.2110 173.2788 86 R 4.7512 8.9438 121.8691 55.0338 33.7428 174.0213 87 G 4.7424 8.8722 111.9337 44.8642 0.0000 170.8744 88 L 5.2847 8.7931 119.4437 54.1675 44.3529 175.4938 89 T 4.9740 8.7855 116.4975 62.3804 72.8474 173.3953 90 G 4.5594 8.5863 110.1110 46.4016 0.0000 171.8932 91 R 4.7616 8.4407 118.8850 54.5278 34.0242 174.5453 92 V 4.0456 8.6892 127.1896 62.8540 31.8583 176.6333 93 I 4.0362 8.9167 130.8218 64.1155 37.7238 176.5778 94 L 4.7193 7.6575 119.2514 54.6289 43.6223 174.2676 95 A 5.1540 8.5628 121.9191 50.6961 22.0034 176.3182 96 E 4.6164 9.5149 122.9073 53.2464 30.3184 172.7262 97 P 2.9700 0.0000 0.0000 61.6046 31.9417 175.4187 98 P 3.6694 0.0000 0.0000 62.3992 31.6620 175.3583 99 H 4.8803 7.6042 115.3021 56.9077 29.5144 174.6494 100 R 5.3817 7.5864 119.9223 55.4174 33.6488 173.1554 101 L 5.4523 9.3041 127.5484 53.7254 46.0297 174.7193 102 I 5.2389 8.6761 125.9953 59.8830 40.9584 174.2100 103 H 5.4071 9.3213 121.6949 54.3672 32.8367 172.2357 104 S 5.1850 8.8553 113.6013 57.2311 65.5369 172.9894 105 E 4.9892 9.0077 120.5008 54.6297 33.5470 174.5510 106 L 4.8907 8.7020 125.5681 53.7326 45.2879 174.9585 107 Y 4.7394 8.9236 124.0392 57.4838 39.2411 175.0608 108 D 4.4530 8.7731 122.9336 54.5200 41.5879 176.1782 109 E 3.4350 8.5241 120.9245 57.1088 25.6537 172.8848 *114 G 3.8252 7.4179 106.1433 45.1618 0.0000 170.9013 115 E 4.4446 8.6828 120.1649 56.4320 30.2986 176.9302 116 T 4.7475 8.6750 116.0321 59.7009 72.6697 172.6087 117 L 4.9004 8.6046 125.4515 53.5365 44.2438 175.0622 118 V 4.6926 8.6970 127.8047 61.9513 33.2746 174.6869 119 T 5.1490 9.0129 124.3718 61.7282 71.6988 173.2710 120 L 5.0339 9.5482 126.1739 52.9713 45.0302 175.1627 121 Q 5.1965 9.6950 125.4529 54.2448 32.0883 173.9706 122 L 5.3265 8.8720 126.9488 53.0966 43.6659 175.4845 123 L 4.7888 8.3170 124.8326 52.8689 42.7778 174.4216 124 P 4.7145 0.0000 0.0000 62.8505 32.0344 175.8137 125 V 4.4736 8.7350 122.5234 60.4212 35.0188 173.9901 126 E 4.2272 8.5791 124.1997 56.6042 29.8514 174.9735 127 G 4.0325 9.2352 118.7641 44.7842 0.0000 175.2782 128 G 4.3463 6.9163 110.4441 46.3009 0.0000 175.3712 129 T 5.0131 7.6549 120.1890 61.2712 73.1165 171.0286 130 E 4.8330 8.9651 125.0617 54.4023 32.5431 174.3401 131 L 4.9394 9.1533 129.9847 53.9909 43.5298 175.5376 132 A 5.4637 9.4662 128.5975 49.5942 22.2860 174.9956 *134 A 4.5731 8.1799 119.3139 52.0540 20.6266 176.1406 135 V 4.6961 9.0019 121.7602 61.2650 34.2604 174.0913 136 D 5.1946 9.0763 129.8852 53.6368 41.9638 176.5025 137 Y 4.5128 8.9619 121.9881 56.8988 39.2497 176.2206 138 A 4.0795 8.9873 123.4725 54.9074 19.1235 178.0627 139 T 4.6851 7.4965 103.3659 58.9587 70.7957 173.2326 140 P 5.0612 0.0000 0.0000 63.8263 31.7576 178.1367 141 E 5.1210 8.2922 114.7829 56.7784 30.4428 178.0566 142 A 4.1150 7.7041 120.8035 54.5455 18.5613 178.7542 143 R 2.8940 7.3049 114.0775 57.4968 30.1459 177.6535 144 D 4.4276 7.2124 115.2270 57.4418 41.1903 178.3302 145 A 4.0722 7.6045 119.4132 54.8478 18.2738 179.3722 146 V 3.7294 7.2181 114.6780 63.2850 33.2206 175.3061 147 A 3.6178 7.6848 119.6012 52.4207 15.2425 177.2113 148 A 4.0723 7.9291 122.7619 55.0217 19.6149 179.5031 149 S 4.2406 8.2941 110.8625 61.7898 63.2765 175.7612 150 A 4.6494 8.0471 121.6753 51.3907 18.7219 178.5834 *152 A 4.4867 7.8961 123.9301 53.3358 20.9699 179.3083 153 T 4.0839 8.3690 113.3745 66.8162 68.8223 177.6839 154 E 3.8066 8.0945 117.8263 57.4228 29.7435 178.5095 *156 E 4.3491 8.2660 121.9269 56.2567 31.4811 177.3067 157 E 3.8574 8.6386 119.1714 59.3970 29.6164 178.7961 158 A 4.2406 7.7423 120.8031 55.3625 18.4454 179.2132 159 Y 4.7717 7.8212 114.8840 60.9494 38.0386 178.1554 160 R 4.2020 8.4343 121.7463 59.1939 30.0044 178.0310 161 H 4.2316 7.7247 114.8098 59.1854 28.9125 177.0698 162 L 4.0404 8.0137 119.8381 58.2275 41.5586 178.5867 163 D 4.6682 8.2704 118.8385 57.3061 40.7328 179.8434 164 V 3.5805 7.6115 115.6087 63.8529 31.3610 177.3780 *166 L 4.1784 7.9469 118.8145 54.2555 43.5652 179.1118 167 A 3.9500 8.1667 120.3448 55.0667 18.3934 178.6205 168 A 4.0047 8.2152 118.1296 54.6176 18.5196 177.4180 169 L 4.4118 7.2430 116.4061 54.2468 41.6267 176.6655 170 E 4.5239 8.4758 121.1533 57.0399 28.8376 175.9307 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 E 8.44 4.20 0.00 1.90 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 2.19 2.38 0.00 17 I 8.28 4.17 2.04 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.49 1.07 0.00 0.00 18 Q 9.78 4.72 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 19 I 8.53 4.00 1.84 0.00 0.00 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 1.34 0.79 0.78 0.00 0.00 20 G 8.09 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 21 P 0.00 4.42 0.00 2.17 2.17 0.00 3.98 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 2.10 1.95 0.00 22 G 8.87 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 0.00 0.00 0.00 0.00 23 S 8.64 4.43 0.00 3.79 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 24 A 8.37 4.30 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 T 8.46 4.81 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 1.30 0.00 0.00 26 R 7.99 5.20 0.00 2.00 1.80 0.00 3.17 0.00 0.00 3.36 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 27 L 9.00 4.99 0.00 1.96 1.52 1.11 0.70 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 28 E 8.27 5.07 0.00 1.75 1.76 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 2.29 2.27 0.00 29 F 8.46 5.42 0.00 3.06 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 30 R 8.82 5.10 0.00 1.71 1.79 0.00 3.47 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 31 R 8.54 4.57 0.00 1.80 1.41 0.00 2.74 0.00 0.00 3.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 32 H 8.61 4.94 0.00 3.11 3.06 0.00 5.93 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 33 F 8.41 4.70 0.00 2.79 2.65 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 0.00 0.00 0.00 0.00 34 A 8.57 4.81 1.26 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 0.00 0.00 35 A 7.42 4.35 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.74 4.23 4.35 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 1.21 0.00 0.00 37 P 0.00 4.32 0.00 2.32 2.42 0.00 3.71 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 2.11 0.00 38 E 7.75 4.02 0.00 1.92 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 2.32 2.36 0.00 39 Q 8.20 4.00 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 40 L 7.83 3.74 0.00 1.62 1.60 0.03 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 41 W 8.26 3.98 0.00 3.63 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.92 4.06 1.43 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 0.00 0.00 43 A 7.90 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.39 4.51 0.00 1.32 1.53 0.78 0.79 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 45 T 7.11 3.50 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 0.07 0.00 0.00 46 S 7.83 4.40 0.00 3.88 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.21 0.00 2.04 2.28 0.00 3.73 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 2.21 0.00 48 A 7.67 4.18 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.59 4.45 0.00 1.78 1.84 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.00 3.64 0.00 1.50 1.41 0.31 0.99 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 51 P 0.00 3.90 0.00 1.88 1.92 0.00 3.52 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 52 A 7.95 4.36 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 53 W 7.51 5.42 0.00 3.76 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 54 L 6.86 3.86 0.00 0.27 1.04 0.71 0.48 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 55 F 8.24 4.60 0.00 2.94 2.95 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 56 A 8.21 4.15 0.22 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 57 R 8.72 3.61 0.00 2.20 2.22 0.00 3.47 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 58 G 8.39 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 0.00 0.00 0.00 59 W 7.56 4.64 0.00 3.79 3.53 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 60 P 0.00 4.48 0.00 2.19 1.52 0.00 4.37 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.12 0.00 *62 T 8.55 4.30 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 1.20 0.00 0.00 63 E 7.76 4.53 0.00 1.87 1.55 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 0.00 2.06 2.13 0.00 64 C 8.49 4.67 0.00 2.71 2.62 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 65 V 9.02 4.38 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.86 0.00 0.00 66 F 8.64 4.49 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 67 E 8.59 4.52 0.00 1.75 1.57 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 2.22 2.14 0.00 68 P 0.00 5.04 0.00 2.63 2.35 0.00 3.83 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 69 H 7.28 4.94 0.00 3.34 3.46 0.00 5.68 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 70 K 8.74 3.95 0.00 1.77 1.85 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.66 7.81 71 G 9.57 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 72 G 8.39 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 0.00 0.00 0.00 73 L 9.08 4.60 0.00 1.71 1.45 0.89 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 74 I 7.82 4.87 1.61 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.15 0.77 0.00 0.00 75 R 8.96 4.84 0.00 1.77 1.62 0.00 3.13 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 76 Q 8.99 4.54 0.00 1.38 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.53 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 77 V 8.15 4.63 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 0.99 0.00 0.00 0.86 0.00 0.00 78 W 9.52 5.14 0.00 3.35 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 79 T 8.69 4.87 4.30 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 1.18 0.00 0.00 80 G 8.33 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 0.00 0.00 0.00 81 P 0.00 3.86 0.00 1.86 1.93 0.00 3.14 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 1.91 1.84 0.00 82 E 9.28 3.64 0.00 2.08 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 2.20 2.18 0.00 83 G 7.80 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 84 R 7.28 4.13 0.00 1.80 2.00 0.00 2.64 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.40 0.00 85 T 8.33 5.16 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 1.22 0.00 0.00 86 R 8.94 4.75 0.00 1.97 1.94 0.00 3.08 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.89 0.00 87 G 8.87 4.74 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 0.00 0.00 0.00 88 L 8.79 5.28 0.00 1.39 0.92 0.82 0.52 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 89 T 8.79 4.97 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 1.16 0.00 0.00 90 G 8.59 4.56 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 0.00 0.00 0.00 91 R 8.44 4.76 0.00 1.88 1.68 0.00 3.37 0.00 0.00 3.02 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 92 V 8.69 4.05 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 0.71 0.00 0.00 0.70 0.00 0.00 93 I 8.92 4.04 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.93 0.93 0.00 0.00 94 L 7.66 4.72 0.00 1.76 1.75 1.05 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.56 5.15 1.43 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 0.00 0.00 96 E 9.51 4.62 0.00 1.84 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 2.22 2.26 0.00 97 P 0.00 2.97 0.00 1.31 0.49 0.00 3.57 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 98 P 0.00 3.67 0.00 2.37 1.83 0.00 3.38 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.80 0.00 99 H 7.60 4.88 0.00 3.36 3.74 0.00 5.30 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.59 5.38 0.00 2.00 1.87 0.00 3.20 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 101 L 9.30 5.45 0.00 1.98 1.53 1.07 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.68 5.24 1.93 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 1.34 0.74 0.98 0.00 0.00 103 H 9.32 5.41 0.00 3.18 3.29 0.00 5.25 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 0.00 104 S 8.86 5.19 0.00 4.02 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 0.00 105 E 9.01 4.99 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 2.19 2.35 0.00 106 L 8.70 4.89 0.00 1.73 1.57 0.98 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.92 4.74 0.00 2.91 2.95 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 0.00 108 D 8.77 4.45 0.00 2.63 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 0.00 109 E 8.52 3.43 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 *114 G 7.42 3.83 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 0.00 115 E 8.68 4.44 0.00 2.01 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 2.29 2.32 0.00 116 T 8.68 4.75 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 1.01 0.00 0.00 117 L 8.60 4.90 0.00 1.72 1.53 0.97 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.70 4.69 1.69 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 0.97 0.00 0.00 0.92 0.00 0.00 119 T 9.01 5.15 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 1.28 0.00 0.00 120 L 9.55 5.03 0.00 1.62 1.63 1.01 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 121 Q 9.69 5.20 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.57 0.00 122 L 8.87 5.33 0.00 1.76 1.68 1.20 1.19 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 0.00 123 L 8.32 4.79 0.00 1.74 1.80 0.95 1.00 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 0.00 124 P 0.00 4.71 0.00 1.98 2.06 0.00 3.64 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 2.05 2.12 0.00 125 V 8.73 4.47 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 0.97 0.00 0.00 1.02 0.00 0.00 126 E 8.58 4.23 0.00 1.97 1.85 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 2.29 2.31 0.00 127 G 9.24 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 0.00 0.00 0.00 128 G 6.92 4.35 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 0.00 129 T 7.65 5.01 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 1.25 0.00 0.00 130 E 8.97 4.83 0.00 2.09 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 2.23 2.25 0.00 131 L 9.15 4.94 0.00 1.87 1.79 1.04 1.01 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 0.00 132 A 9.47 5.46 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 *134 A 8.18 4.57 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 0.00 135 V 9.00 4.70 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 0.51 0.00 0.00 1.10 0.00 0.00 136 D 9.08 5.19 0.00 2.59 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 0.00 137 Y 8.96 4.51 0.00 2.91 2.98 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 0.00 138 A 8.99 4.08 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 0.00 139 T 7.50 4.69 4.35 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 1.24 0.00 0.00 140 P 0.00 5.06 0.00 2.20 2.20 0.00 3.87 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.04 0.00 141 E 8.29 5.12 0.00 2.10 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 0.00 2.32 2.20 0.00 142 A 7.70 4.12 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 R 7.30 2.89 0.00 1.70 2.05 0.00 3.40 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.67 0.00 144 D 7.21 4.43 0.00 2.87 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.60 4.07 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 0.00 146 V 7.22 3.73 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 0.90 0.00 0.00 0.98 0.00 0.00 147 A 7.68 3.62 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 0.00 148 A 7.93 4.07 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 S 8.29 4.24 0.00 3.88 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 0.00 150 A 8.05 4.65 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 *152 A 7.90 4.49 1.57 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 0.00 0.00 153 T 8.37 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 1.20 0.00 0.00 154 E 8.09 3.81 0.00 1.91 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 2.35 2.19 0.00 *156 E 8.27 4.35 0.00 2.27 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 2.36 2.33 0.00 157 E 8.64 3.86 0.00 2.05 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 0.00 2.22 2.22 0.00 158 A 7.74 4.24 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 0.00 159 Y 7.82 4.77 0.00 3.40 2.98 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 0.00 160 R 8.43 4.20 0.00 2.04 1.98 0.00 3.10 0.00 0.00 3.24 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 161 H 7.72 4.23 0.00 3.76 3.63 0.00 5.74 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 L 8.01 4.04 0.00 1.38 2.03 -0.47 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 163 D 8.27 4.67 0.00 3.09 2.75 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 0.00 164 V 7.61 3.58 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 1.16 0.00 0.00 0.97 0.00 0.00 *166 L 7.95 4.18 0.00 1.90 1.71 0.71 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 167 A 8.17 3.95 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 0.00 168 A 8.22 4.00 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 0.00 169 L 7.24 4.41 0.00 1.59 1.65 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 170 E 8.48 4.52 0.00 1.99 1.85 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 2.07 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.