NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.1006 8.0549 114.0492 60.7977 33.2810 175.4660 3 E 4.0364 8.2921 120.9641 55.2236 31.2856 173.1557 4 V 3.7412 8.2356 122.1800 66.2018 32.1669 178.3251 5 S 4.1398 8.0828 113.5959 61.5703 62.7810 176.1307 6 Q 3.9700 8.0756 122.7584 58.7369 28.6608 177.7746 7 F 4.3168 8.1840 120.7253 61.3532 39.5328 176.9204 8 K 3.8264 8.2165 117.2858 59.5204 31.8901 178.8059 9 D 4.4739 8.0400 118.0306 56.9289 41.0056 179.4020 10 A 4.0501 8.0199 119.5927 52.3885 18.2859 179.0120 *12 A 4.1051 8.0661 125.7746 53.7255 20.4907 179.6736 13 Q 3.8825 7.7750 113.2988 57.3380 29.0483 175.9519 14 L 4.1610 7.6110 119.6854 53.4264 41.5958 175.7295 15 A 4.3503 8.3579 128.7623 52.4463 19.0218 176.3123 16 S 4.7492 8.9956 115.7728 56.2590 66.4189 173.3862 17 A 4.7213 8.7164 126.6663 51.6573 19.3432 176.7546 18 V 4.4367 8.1852 118.4297 61.4339 34.7696 174.1903 19 H 5.3869 9.1021 123.2991 54.0934 33.6162 172.2950 20 I 4.6231 8.7571 121.9273 59.6572 39.5163 174.7256 21 V 4.5150 8.3379 128.6323 61.4605 33.1945 174.8342 22 T 5.5810 8.5315 116.6528 60.6906 72.9875 172.0970 23 T 5.0177 8.9196 115.9806 61.0978 71.4096 172.2919 24 S 4.9198 8.3698 118.3732 56.5369 65.4274 173.2267 25 G 4.0806 8.0459 109.4498 44.6757 0.0000 173.6232 26 E 3.8794 8.7913 121.9237 59.7366 29.7159 178.4845 27 T 3.9305 7.8692 109.5430 62.1620 69.5287 175.4096 28 G 3.8522 7.5071 104.5272 44.8817 0.0000 172.9254 29 Q 4.1552 7.7661 120.3542 55.7311 29.6911 174.8759 30 H 5.2546 8.4210 117.2780 54.6321 33.4337 172.6790 31 G 5.0355 9.5822 108.1438 46.3765 0.0000 172.0737 32 F 5.5772 8.7803 113.5499 55.8403 41.4812 173.8410 33 T 4.7002 8.7368 118.0513 63.6788 69.1547 174.0926 34 A 4.9765 9.3350 127.2333 50.4846 22.4024 176.6966 35 S 4.6766 9.0005 113.4904 58.7362 65.4022 174.9195 36 A 4.5039 7.7240 124.9769 50.4675 16.9352 175.2017 37 V 4.8385 7.4963 118.6344 60.6781 35.0227 174.1064 38 C 4.7821 8.5527 121.1809 56.9030 33.5741 173.0974 39 S 4.3360 8.5136 114.0730 58.8998 62.8498 172.8618 40 V 4.2822 8.6484 120.5578 64.2621 33.1311 175.1204 41 T 4.7615 7.6416 112.9931 60.5270 71.1433 172.7345 42 D 4.8957 8.6452 122.7414 53.1366 39.8349 177.2449 43 S 4.5385 7.6053 116.5045 56.6478 63.4942 171.7931 44 P 4.5888 0.0000 0.0000 60.5711 32.9266 174.9969 45 P 4.5192 0.0000 0.0000 63.9425 32.1971 175.8581 46 T 5.2063 8.9391 120.4727 61.9447 73.3192 172.9461 47 L 5.3022 9.0432 125.2204 53.8081 44.8647 174.8997 48 L 5.3593 8.8095 119.0043 53.9450 44.0718 175.5551 49 V 4.8404 8.4805 119.5516 61.5084 34.6747 173.9993 50 C 5.1386 8.9901 126.0195 58.9239 29.5791 173.0659 51 I 4.5582 8.6182 122.3548 58.9851 41.7999 173.5544 52 N 4.5506 8.4161 127.6914 53.1736 39.4554 175.5013 53 S 2.7900 8.6416 121.1110 59.1080 63.2163 174.3751 54 N 4.5579 8.1640 117.8954 53.0841 39.3566 175.1842 55 A 4.1749 7.4831 122.5292 51.4283 19.1990 178.4107 56 R 3.8996 8.7885 120.6209 59.5423 30.3284 177.8346 57 A 4.4229 8.2253 120.1036 55.5473 18.9809 178.5842 58 Y 4.2627 8.3135 116.5576 61.2732 38.7954 178.5058 59 E 3.8607 8.2473 118.1701 59.0258 29.5927 178.8384 60 H 4.0581 7.8612 116.7800 58.6132 28.6260 177.7491 61 F 3.8983 8.1164 119.2567 60.3063 38.6730 177.6936 62 V 3.4623 7.2615 116.8158 65.8031 31.3295 177.7546 63 K 4.0310 7.8429 118.1598 59.6475 31.9562 178.2718 64 N 4.4222 8.2280 116.6786 54.1887 38.4828 176.5674 65 R 4.1181 8.3018 117.2333 56.9362 28.2897 175.9680 66 V 5.0600 7.2207 109.5746 60.0503 36.4810 175.3270 67 L 4.9280 8.3902 122.8813 55.5637 45.5164 175.2411 *69 V 3.9953 8.4374 118.1769 63.1825 33.2110 175.0556 70 N 5.2447 8.9243 127.0050 51.9326 39.7344 174.0846 71 T 4.6241 8.9215 122.0723 63.2112 70.0427 174.3001 72 L 4.8669 8.7262 126.7269 53.9842 43.7780 176.7538 73 T 4.6104 8.9030 112.9729 60.8028 70.1505 175.6025 74 A 3.9820 8.6717 125.0317 54.9003 18.3654 178.5689 75 E 4.2574 7.7733 113.1911 57.4646 30.0277 177.5595 76 Q 4.5860 7.8863 118.9623 55.6663 29.9894 177.7899 77 S 3.5745 7.7717 118.5889 61.2142 62.8800 175.5113 78 S 4.0538 7.8795 116.3890 61.1120 62.1807 175.6605 79 L 4.0223 7.8296 122.5679 58.0764 41.6358 178.4501 80 S 4.1216 7.7814 112.0922 61.7398 62.6512 175.7106 81 N 4.5591 8.2178 118.8360 56.4469 38.1637 177.4310 82 I 3.7283 8.1646 121.4853 64.3452 37.2894 177.7162 83 F 4.4498 8.6609 116.0030 58.0022 38.6901 176.3246 84 A 4.7114 7.7185 119.6159 51.0802 19.7079 176.5970 85 S 4.8226 7.1007 113.8409 55.9619 66.3227 173.6138 86 P 4.6226 0.0000 0.0000 62.2232 28.9608 175.3293 87 L 4.7598 7.2924 123.5496 53.0967 44.8867 177.4603 88 S 4.3149 8.2547 115.8112 58.6615 64.8149 175.5159 89 Q 3.9939 8.5995 122.1181 59.0277 28.6151 178.6974 90 E 3.9334 8.1310 120.0113 59.2132 29.5054 178.3630 91 E 3.9189 7.9767 117.9881 59.2978 30.1585 178.4913 92 R 3.7418 7.9666 118.1774 59.5357 29.9612 179.2166 93 F 4.1998 8.5842 117.7114 60.2085 38.6194 177.6772 94 S 4.4400 8.0086 112.7443 60.7295 62.6824 175.2012 95 N 4.8459 7.9835 118.2229 53.3011 38.7808 173.5266 96 A 4.5372 8.0054 121.4642 51.3277 22.9461 175.2970 97 S 4.8566 8.1269 111.7581 56.5668 65.0783 173.1536 98 W 5.2709 8.7410 124.6419 55.5862 32.8175 174.9504 99 T 4.5996 8.3813 117.0213 61.3114 69.0715 172.3044 100 T 4.8069 8.3239 108.2534 60.2101 72.9195 172.8450 101 L 4.2898 8.7595 121.6984 54.9352 42.5281 177.4931 102 T 4.4309 9.1346 118.6588 65.7314 71.1048 175.9810 103 T 4.0507 8.6825 109.9578 62.4236 69.2483 175.8447 104 G 3.9771 8.2356 110.1015 45.2025 0.0000 173.9773 105 S 4.1980 7.6656 116.1141 57.9302 63.4477 173.9034 106 P 4.9768 0.0000 0.0000 61.5344 32.0397 174.6126 *108 L 3.1787 8.2249 120.2730 55.1329 42.4679 177.5232 109 Q 3.8684 8.0936 125.6888 57.0187 29.1255 175.4928 110 D 4.2479 8.5676 118.1357 55.0621 39.6379 173.6113 111 A 4.4392 7.5453 119.3702 50.8575 19.7168 178.3075 112 L 4.1270 8.6038 121.6629 57.6345 43.0611 176.9473 113 I 4.9273 7.4064 117.0537 60.0012 42.0964 173.6950 114 N 5.2776 9.0617 122.2464 51.6626 42.1496 173.4052 115 F 5.1248 9.3207 123.8200 55.7966 41.1637 174.5683 116 D 4.9227 9.2722 125.3109 53.3390 42.7464 175.0872 117 C 5.4031 9.2728 122.5928 58.2130 33.2975 172.5556 118 E 4.8384 9.0549 121.1658 55.1793 31.3749 175.8144 119 I 4.5585 8.5907 126.3276 60.9097 36.0914 175.8458 120 T 4.2708 8.9804 125.1810 66.1047 69.0178 174.6655 121 E 4.8182 7.9275 116.7883 55.1410 33.3388 174.0491 122 I 5.0205 8.2421 120.4865 59.5357 40.4712 174.9688 123 K 4.5973 8.9932 126.1025 54.8403 35.0992 174.8667 124 H 5.3816 8.6088 121.3167 53.9927 30.1564 176.1380 125 V 4.3910 8.5816 122.6599 61.3748 32.3476 176.2224 126 G 3.9431 7.7859 118.0396 46.6729 0.0000 174.7933 127 T 3.9876 8.6783 117.9388 63.0713 69.1765 173.0605 128 H 5.3145 8.0972 118.9910 54.0894 32.8366 172.3598 129 D 5.4494 9.1601 119.6342 52.7665 44.7352 175.2161 130 I 4.5876 8.6554 122.3351 59.9456 39.3266 174.7651 131 L 4.7326 8.9934 128.6007 53.5280 43.2364 175.8087 132 I 4.5415 8.6550 126.2657 60.4901 38.8630 174.8629 133 C 5.1832 9.1156 124.9807 57.5753 31.4975 173.3566 134 K 4.4682 8.7859 126.9491 56.2160 33.0417 175.8486 135 I 4.5721 8.5424 129.2802 61.2935 37.2916 176.1782 136 V 4.4241 8.9373 119.7083 61.3749 33.5119 175.2427 137 D 4.7485 7.7350 118.4506 53.3642 44.5115 173.9223 138 I 5.1317 8.2516 123.5077 59.8797 41.4328 173.9444 139 H 4.9925 9.1571 125.6861 54.2531 32.8093 172.1910 140 Q 4.9086 8.2813 122.4126 54.2647 31.7151 175.0643 141 S 4.6224 8.7184 118.7426 58.3107 64.1163 173.1882 142 N 4.9774 8.0230 115.3426 51.4401 40.9444 172.9999 143 A 3.9550 8.6995 122.7006 52.8407 16.0691 177.4656 144 K 4.6499 7.2843 116.5521 56.2780 35.0867 175.5620 145 N 5.0309 8.2875 117.1447 51.8567 41.0394 174.2571 146 A 4.6297 8.8839 124.5569 51.0584 21.0270 176.2838 147 L 4.6424 8.4807 123.4689 54.7202 43.6672 175.9017 148 V 4.9077 8.9832 125.3558 61.2996 34.9411 173.1514 149 Y 5.3950 9.1331 128.5421 56.0163 41.1187 174.2663 150 R 4.2152 8.8875 125.0605 55.8934 34.2940 174.2146 151 N 3.8346 9.8147 121.5104 54.3799 36.7600 175.0246 152 R 3.4179 7.5212 111.6081 56.4093 27.7182 176.1003 153 V 4.3883 7.1270 110.5898 59.8335 35.7036 174.0549 154 Y 5.3729 8.1546 118.1951 57.8931 39.5862 174.8707 155 H 5.0165 9.2646 117.0906 54.5978 34.0974 172.2205 156 S 5.1470 8.7250 115.0769 56.5985 64.3616 173.9727 157 V 4.1013 8.7110 126.4851 63.0480 31.6746 174.9938 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 V 8.05 4.10 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 0.89 0.00 0.00 0.88 0.00 0.00 3 E 8.29 4.04 0.00 2.21 1.89 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 2.40 1.99 0.00 4 V 8.24 3.74 2.13 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 1.27 0.00 0.00 0.96 0.00 0.00 5 S 8.08 4.14 0.00 4.10 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 6 Q 8.08 3.97 0.00 2.26 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.94 0.00 0.00 0.00 0.00 0.00 2.42 1.98 0.00 7 F 8.18 4.32 0.00 2.95 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 8 K 8.22 3.83 0.00 1.85 1.80 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.72 7.81 9 D 8.04 4.47 0.00 2.77 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 10 A 8.02 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 *12 A 8.07 4.11 1.27 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 0.00 0.00 13 Q 7.77 3.88 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.90 0.00 0.00 0.00 0.00 0.00 2.50 2.40 0.00 14 L 7.61 4.16 0.00 1.56 1.57 0.93 1.02 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 15 A 8.36 4.35 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 16 S 9.00 4.75 0.00 3.94 3.76 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 17 A 8.72 4.72 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 18 V 8.19 4.44 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 1.11 0.00 0.00 1.08 0.00 0.00 19 H 9.10 5.39 0.00 3.02 3.10 0.00 5.62 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 20 I 8.76 4.62 1.66 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.58 0.12 0.00 0.00 21 V 8.34 4.52 0.67 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 0.77 0.00 0.00 0.62 0.00 0.00 22 T 8.53 5.58 4.45 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 1.27 0.00 0.00 23 T 8.92 5.02 3.63 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 0.29 0.00 0.00 24 S 8.37 4.92 0.00 3.88 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 25 G 8.05 4.08 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 0.00 0.00 0.00 26 E 8.79 3.88 0.00 1.91 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 2.26 2.27 0.00 27 T 7.87 3.93 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 28 G 7.51 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.77 4.16 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.67 0.00 0.00 0.00 0.00 0.00 1.77 1.85 0.00 30 H 8.42 5.25 0.00 2.91 3.19 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 31 G 9.58 5.04 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 32 F 8.78 5.58 0.00 3.15 3.21 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 33 T 8.74 4.70 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 1.23 0.00 0.00 34 A 9.34 4.98 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 35 S 9.00 4.68 0.00 4.05 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 36 A 7.72 4.50 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 37 V 7.50 4.84 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 0.68 0.00 0.00 0.84 0.00 0.00 38 C 8.55 4.78 0.00 3.01 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 39 S 8.51 4.34 0.00 3.85 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 40 V 8.65 4.28 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 0.76 0.00 0.00 0.89 0.00 0.00 41 T 7.64 4.76 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 1.28 0.00 0.00 42 D 8.65 4.90 0.00 2.80 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 43 S 7.61 4.54 0.00 3.77 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.59 0.00 2.19 2.08 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 45 P 0.00 4.52 0.00 2.13 2.10 0.00 3.59 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 46 T 8.94 5.21 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 1.20 0.00 0.00 47 L 9.04 5.30 0.00 1.67 1.49 0.82 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.81 5.36 0.00 1.81 1.76 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.48 4.84 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 1.07 0.00 0.00 0.89 0.00 0.00 50 C 8.99 5.14 0.00 2.95 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 51 I 8.62 4.56 1.84 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.56 1.09 0.00 0.00 52 N 8.42 4.55 0.00 2.59 2.47 0.00 0.00 6.93 7.63 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 53 S 8.64 2.79 0.00 2.96 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 54 N 8.16 4.56 0.00 2.71 2.80 0.00 0.00 6.90 7.21 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 55 A 7.48 4.17 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 56 R 8.79 3.90 0.00 1.82 2.06 0.00 3.32 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 57 A 8.23 4.42 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 0.00 0.00 58 Y 8.31 4.26 0.00 3.11 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 59 E 8.25 3.86 0.00 1.92 1.89 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 2.54 2.37 0.00 60 H 7.86 4.06 0.00 3.03 2.97 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.12 3.90 0.00 3.20 3.17 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 62 V 7.26 3.46 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 0.70 0.00 0.00 0.17 0.00 0.00 63 K 7.84 4.03 0.00 2.02 1.93 0.00 1.96 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 1.45 1.35 7.81 64 N 8.23 4.42 0.00 2.67 2.76 0.00 0.00 7.09 6.98 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 65 R 8.30 4.12 0.00 2.01 2.02 0.00 3.24 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 66 V 7.22 5.06 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 0.74 0.00 0.00 0.92 0.00 0.00 67 L 8.39 4.93 0.00 2.22 2.06 0.99 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 *69 V 8.44 4.00 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 1.04 0.00 0.00 0.88 0.00 0.00 70 N 8.92 5.24 0.00 2.81 2.71 0.00 0.00 6.61 6.59 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 71 T 8.92 4.62 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 1.25 0.00 0.00 72 L 8.73 4.87 0.00 1.51 1.47 0.83 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.90 4.61 4.39 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 1.22 0.00 0.00 74 A 8.67 3.98 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 75 E 7.77 4.26 0.00 1.87 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 76 Q 7.89 4.59 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 77 S 7.77 3.57 0.00 2.88 3.40 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 78 S 7.88 4.05 0.00 3.89 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 79 L 7.83 4.02 0.00 1.79 1.75 1.15 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 80 S 7.78 4.12 0.00 3.83 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 81 N 8.22 4.56 0.00 3.01 2.91 0.00 0.00 7.11 7.24 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 82 I 8.16 3.73 2.11 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 1.52 1.08 0.72 0.00 0.00 83 F 8.66 4.45 0.00 3.24 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 84 A 7.72 4.71 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 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.10 4.82 0.00 3.77 3.74 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 86 P 0.00 4.62 0.00 2.18 2.10 0.00 3.73 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 1.99 1.99 0.00 87 L 7.29 4.76 0.00 1.52 1.52 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.25 4.31 0.00 4.04 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 89 Q 8.60 3.99 0.00 2.05 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.94 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 90 E 8.13 3.93 0.00 2.11 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 2.38 1.94 0.00 91 E 7.98 3.92 0.00 1.99 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 2.30 2.35 0.00 92 R 7.97 3.74 0.00 1.48 0.66 0.00 2.98 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.53 0.00 93 F 8.58 4.20 0.00 3.11 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 94 S 8.01 4.44 0.00 4.13 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 95 N 7.98 4.85 0.00 3.05 2.96 0.00 0.00 6.70 6.75 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 96 A 8.01 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.13 4.86 0.00 3.83 3.54 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 98 W 8.74 5.27 0.00 3.24 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 99 T 8.38 4.60 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 1.22 0.00 0.00 100 T 8.32 4.81 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 0.00 101 L 8.76 4.29 0.00 1.86 1.71 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 102 T 9.13 4.43 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 1.23 0.00 0.00 103 T 8.68 4.05 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 1.33 0.00 0.00 104 G 8.24 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 0.00 0.00 0.00 105 S 7.67 4.20 0.00 4.08 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 0.00 106 P 0.00 4.98 0.00 2.10 2.02 0.00 3.82 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 1.71 1.77 0.00 *108 L 8.22 3.18 0.00 1.20 1.54 -0.13 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 8.09 3.87 0.00 1.96 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.40 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 110 D 8.57 4.25 0.00 2.66 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 0.00 111 A 7.55 4.44 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 8.60 4.13 0.00 1.75 1.79 0.94 1.12 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 0.00 113 I 7.41 4.93 1.74 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.40 0.30 0.00 0.00 114 N 9.06 5.28 0.00 2.57 2.66 0.00 0.00 6.92 7.74 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 0.00 115 F 9.32 5.12 0.00 2.80 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 0.00 116 D 9.27 4.92 0.00 2.82 2.58 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 0.00 117 C 9.27 5.40 0.00 3.01 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 0.00 118 E 9.05 4.84 0.00 1.92 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 2.27 2.30 0.00 119 I 8.59 4.56 1.92 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.59 0.96 0.00 0.00 120 T 8.98 4.27 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 0.00 121 E 7.93 4.82 0.00 1.99 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 2.27 2.35 0.00 122 I 8.24 5.02 1.87 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 1.38 0.69 0.98 0.00 0.00 123 K 8.99 4.60 0.00 1.63 1.67 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.52 7.81 124 H 8.61 5.38 0.00 3.06 3.21 0.00 5.69 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 V 8.58 4.39 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 0.98 0.00 0.00 0.95 0.00 0.00 126 G 7.79 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 0.00 0.00 0.00 127 T 8.68 3.99 4.18 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 1.19 0.00 0.00 128 H 8.10 5.31 0.00 3.14 3.26 0.00 5.75 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 D 9.16 5.45 0.00 2.68 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 0.00 130 I 8.66 4.59 1.89 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 1.25 0.73 0.93 0.00 0.00 131 L 8.99 4.73 0.00 1.65 1.65 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 132 I 8.65 4.54 1.98 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 1.24 1.17 0.91 0.00 0.00 133 C 9.12 5.18 0.00 2.93 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 0.00 134 K 8.79 4.47 0.00 1.87 1.70 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.44 7.81 135 I 8.54 4.57 1.95 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 1.31 0.68 1.07 0.00 0.00 136 V 8.94 4.42 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 0.67 0.00 0.00 1.04 0.00 0.00 137 D 7.73 4.75 0.00 2.71 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.25 5.13 1.84 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 1.28 0.84 0.69 0.00 0.00 139 H 9.16 4.99 0.00 3.10 3.13 0.00 5.52 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 0.00 140 Q 8.28 4.91 0.00 1.94 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.75 0.00 0.00 0.00 0.00 0.00 2.08 2.22 0.00 141 S 8.72 4.62 0.00 3.90 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 0.00 142 N 8.02 4.98 0.00 2.61 2.65 0.00 0.00 6.46 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 0.00 143 A 8.70 3.95 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 0.00 144 K 7.28 4.65 0.00 1.75 1.68 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.52 7.81 145 N 8.29 5.03 0.00 2.66 2.71 0.00 0.00 6.69 7.22 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 0.00 146 A 8.88 4.63 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 0.00 147 L 8.48 4.64 0.00 1.88 1.52 0.80 0.45 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 0.00 148 V 8.98 4.91 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 0.96 0.00 0.00 0.98 0.00 0.00 149 Y 9.13 5.39 0.00 3.08 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 0.00 150 R 8.89 4.22 0.00 1.80 1.52 0.00 3.20 0.00 0.00 3.03 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.58 0.00 151 N 9.81 3.83 0.00 2.77 2.78 0.00 0.00 7.03 8.32 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 0.00 152 R 7.52 3.42 0.00 1.85 1.98 0.00 3.15 0.00 0.00 3.40 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.44 0.00 153 V 7.13 4.39 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 0.71 0.00 0.00 0.86 0.00 0.00 154 Y 8.15 5.37 0.00 2.89 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 0.00 155 H 9.26 5.02 0.00 3.18 3.17 0.00 5.57 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 S 8.72 5.15 0.00 3.87 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 0.00 157 V 8.71 4.10 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 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.