NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.0939 8.2493 123.5783 51.9946 19.6891 178.2617 *3 N 4.4480 8.3954 119.2641 54.5439 39.5157 174.2301 4 A 4.0315 8.3117 120.7622 55.6173 18.1933 179.7424 5 L 4.0123 7.9287 116.7893 57.9263 41.8061 179.3703 6 E 4.0116 8.6765 118.6413 58.8621 29.3730 179.1177 7 L 3.9734 7.8806 120.7612 58.2363 42.1826 179.0183 8 Q 4.3073 8.2433 117.8366 58.9231 28.6314 178.5572 9 A 4.0211 8.2304 121.8649 55.2963 18.5142 179.7652 10 L 3.9209 8.1225 117.4768 57.8071 41.4832 179.6411 11 R 4.1527 8.1138 117.9176 59.7066 30.3865 178.5424 12 R 4.1332 8.2186 117.8495 58.9885 29.8911 178.6964 13 I 3.7155 7.7800 117.5926 63.0349 37.9855 176.8501 14 F 4.8519 7.7485 116.2885 55.4044 39.2930 174.4597 15 D 3.9336 7.6908 116.6675 54.7511 39.5959 173.2109 *17 T 4.1787 7.7870 115.1531 61.1971 71.2892 174.5195 18 I 3.2317 7.9825 121.8951 64.2961 37.1787 178.2077 19 E 3.8122 8.0131 119.6078 59.4223 29.4545 178.6193 20 E 3.9636 8.0936 118.4971 59.6291 29.5134 179.1941 21 C 3.9634 7.7001 117.0806 62.6487 27.9032 176.1334 22 T 3.9632 7.5542 111.3246 64.1414 68.2455 176.9949 23 I 3.6039 7.2782 122.5143 63.8833 37.1794 177.1949 24 Y 4.3888 7.7934 114.8870 58.3936 38.3183 176.1078 25 I 4.3923 7.6036 118.8195 63.1359 38.9923 177.1773 26 T 4.2125 8.0580 109.0033 62.7779 69.2347 175.2341 27 Q 3.8315 8.3602 117.4183 56.3170 25.8944 173.4390 28 D 4.6638 8.0472 115.6141 52.5222 40.0212 175.8074 29 N 4.0213 7.8143 116.0676 54.3099 36.9189 173.9715 30 N 4.7854 8.8327 117.0215 51.1648 39.9350 174.6771 31 S 4.2479 8.4940 122.6231 61.0874 62.9756 176.1071 32 A 3.9705 7.9447 123.2432 55.5272 18.1594 179.6072 33 T 3.4364 7.3217 112.6432 66.3758 68.4416 176.7709 34 W 3.7327 7.7928 129.6948 60.3884 30.8344 177.8551 35 Q 4.1703 8.7826 118.4675 59.1865 28.1421 179.1099 36 R 4.0060 8.0638 119.0214 58.8641 30.0450 179.2157 37 W 4.6151 7.6793 119.8633 59.3729 28.8368 178.3923 38 E 4.1286 8.3487 116.8965 58.5519 29.0464 178.3444 39 A 4.3572 7.9281 119.3582 52.1375 18.9093 178.2443 40 G 3.9176 7.6651 104.6181 45.8660 0.0000 174.6533 41 D 4.5505 8.1164 121.2120 56.2036 41.4252 177.1142 42 I 4.7442 7.5132 118.7358 58.3431 40.9110 173.0391 43 P 4.4922 0.0000 0.0000 62.4483 31.8691 176.2021 44 I 2.0650 7.5666 121.0772 60.1728 37.7635 176.6800 45 S 4.0354 7.2729 118.5665 58.1460 63.4314 173.3702 46 P 4.1425 0.0000 0.0000 65.8553 31.1823 178.5378 47 E 3.9714 8.0525 116.8263 59.5296 29.3860 179.3061 48 I 3.8160 7.5348 119.6297 64.2071 37.0514 178.4428 49 I 3.5203 7.7101 120.5672 64.2464 36.9298 178.1961 50 A 3.9625 7.9359 121.4220 55.3602 18.0125 179.8740 51 R 3.9097 7.6485 114.8755 59.4745 30.2018 179.0469 52 L 4.2247 8.0224 118.0229 57.7654 41.8678 179.4580 53 K 4.2333 8.3809 118.6339 58.9234 31.8448 178.6033 54 E 4.3485 7.9343 118.7909 56.5097 29.7234 178.3035 *56 K 4.3863 8.0946 120.0184 55.9633 34.3239 177.5502 57 A 4.0496 8.2433 120.6112 55.1926 18.2192 179.8213 58 R 3.8986 8.4673 117.0999 59.2342 30.1404 179.1963 59 R 3.9373 8.0625 117.9916 59.6954 30.1649 178.2266 60 Q 4.0045 8.1470 119.2454 59.1480 28.9486 178.4588 61 R 3.9260 8.1959 119.2413 59.3514 30.2282 179.2385 62 R 3.9688 8.1932 117.8926 59.1342 29.9566 179.2888 63 I 3.6898 7.8637 119.6134 64.5043 37.1567 178.1801 64 N 4.2934 8.3652 117.1956 56.2672 38.1346 177.2792 65 A 4.0176 7.9565 121.1131 55.1881 18.7451 179.6149 66 I 3.8245 7.6432 117.6848 64.6866 37.1934 178.7924 67 V 3.6218 7.9478 119.0818 66.2576 31.0494 177.7710 68 D 4.4320 8.2291 117.6949 56.2131 40.7605 177.7702 69 K 4.5129 7.7355 116.9434 55.9157 32.6481 177.8827 70 I 3.7035 7.4981 122.6920 64.8048 36.9000 178.0477 71 N 4.4401 8.2077 114.8447 55.5730 38.4447 175.9618 72 N 4.7524 7.5684 115.2850 51.9512 39.4998 175.1071 73 R 4.0783 7.2996 122.0779 56.0172 30.8160 175.7041 74 I 3.9982 8.2685 126.0198 61.6626 38.0598 176.5334 75 G 3.8884 8.6459 112.0020 44.2780 0.0000 172.2917 76 N 4.4990 8.2309 115.4506 53.3956 39.0658 176.1360 77 N 4.6805 8.5555 120.1559 52.3469 37.1760 174.2683 78 T 5.6368 7.4868 111.7745 58.5297 72.0168 174.2015 *80 R 3.9482 8.1798 118.6036 56.4358 31.0298 174.3106 81 Y 4.5881 8.1908 121.7189 55.7320 40.7299 174.7610 82 F 4.9205 9.1694 127.1694 55.1896 39.5963 173.9013 83 P 4.5737 0.0000 0.0000 64.9517 31.7251 176.9902 84 D 4.7302 7.9509 116.3066 50.2846 43.8465 175.9061 85 L 2.4400 6.8619 121.2548 57.9089 41.5888 179.1086 86 S 3.9444 7.5650 111.6901 61.3851 62.7421 175.8899 87 S 4.2481 8.6219 117.3437 61.2582 62.7097 176.1880 88 F 2.3356 7.6477 123.7528 60.6393 39.0189 176.8358 89 Q 4.0349 8.0093 116.6731 57.5565 28.2991 178.2108 90 S 4.1224 7.4104 114.5212 60.1233 63.1278 175.2467 91 I 4.0448 6.9712 121.0303 62.0352 39.4585 176.7371 92 Y 4.1632 6.5534 122.1703 55.9074 36.2427 176.2431 93 T 4.0792 7.8584 113.7543 63.2513 69.1762 175.6588 94 E 4.4594 7.9703 119.1264 55.6303 30.0674 176.2027 95 G 3.8714 8.0421 109.8468 45.7484 0.0000 173.4191 96 D 5.0467 8.4526 122.2494 50.6661 43.6046 176.9211 97 F 3.9158 8.6584 120.2790 61.7245 39.0129 176.9831 98 I 3.6235 7.8656 118.6027 64.3289 36.9102 177.8669 99 E 3.8789 8.7797 120.4902 58.8069 29.3425 178.6806 100 W 2.5833 7.8042 128.2875 59.9753 30.6783 178.1338 101 K 3.1359 7.4298 118.2804 59.1542 31.3724 179.4888 102 I 3.9067 7.6514 120.1239 64.4181 36.9379 177.7684 103 Y 3.9458 8.1155 120.6302 60.9384 38.6508 178.2280 104 Q 3.9317 8.2570 119.2510 58.8889 28.6905 178.8665 105 S 4.0132 7.9688 114.1949 61.2951 62.4326 176.4015 106 V 3.4893 7.7717 120.6639 65.8708 31.2577 177.7757 107 A 3.8964 8.0125 120.5719 55.1635 18.1999 179.4661 108 A 4.0452 8.2544 119.3181 55.2414 18.4709 179.5098 109 E 3.8898 8.2541 117.8265 59.5286 29.6963 179.0529 110 L 4.0294 8.1060 119.0664 57.7388 41.5517 179.3741 111 F 4.5180 8.6275 121.9025 60.6433 39.1175 177.1287 112 A 3.7068 7.9690 119.6566 55.0216 18.2214 178.3632 113 H 4.3696 8.0620 111.8121 55.0690 29.0740 174.9824 114 D 4.3087 7.6914 119.6188 55.5580 38.6390 174.4330 115 L 4.6311 8.1845 119.5842 55.4088 43.0504 176.9845 116 E 5.0255 8.0208 117.0473 54.8761 34.5053 174.4183 117 R 4.8060 9.0470 121.6117 54.8741 32.8301 175.2355 118 L 4.9970 8.1239 121.6164 53.2065 43.9267 176.4529 119 C 4.2707 8.2647 116.0644 58.5353 29.7456 173.7551 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 0 A 8.25 4.09 1.07 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 *3 N 8.40 4.45 0.00 2.99 3.00 0.00 0.00 5.83 7.67 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 4 A 8.31 4.03 1.47 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 0.00 0.00 5 L 7.93 4.01 0.00 1.84 1.73 0.92 0.99 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 6 E 8.68 4.01 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 7 L 7.88 3.97 0.00 1.61 1.79 0.61 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.24 4.31 0.00 2.36 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.69 2.61 0.00 9 A 8.23 4.02 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 10 L 8.12 3.92 0.00 1.89 2.02 1.03 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.11 4.15 0.00 2.21 2.31 0.00 3.20 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 12 R 8.22 4.13 0.00 1.93 1.97 0.00 3.20 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.92 0.00 13 I 7.78 3.72 1.81 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.60 0.19 0.00 0.00 14 F 7.75 4.85 0.00 3.23 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 15 D 7.69 3.93 0.00 2.69 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.79 4.18 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 1.25 0.00 0.00 18 I 7.98 3.23 1.82 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.89 0.81 0.00 0.00 19 E 8.01 3.81 0.00 1.98 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 2.29 2.33 0.00 20 E 8.09 3.96 0.00 2.28 2.12 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 2.42 2.41 0.00 21 C 7.70 3.96 0.00 1.79 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 22 T 7.55 3.96 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 1.18 0.00 0.00 23 I 7.28 3.60 1.14 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.59 -0.19 0.00 0.00 24 Y 7.79 4.39 0.00 2.95 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 I 7.60 4.39 2.20 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.63 1.21 0.00 0.00 26 T 8.06 4.21 4.55 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 0.00 0.00 1.85 0.00 0.00 27 Q 8.36 3.83 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.89 0.00 0.00 0.00 0.00 0.00 2.42 2.30 0.00 28 D 8.05 4.66 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 29 N 7.81 4.02 0.00 2.81 2.83 0.00 0.00 6.62 8.04 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 30 N 8.83 4.79 0.00 2.74 2.69 0.00 0.00 7.27 7.88 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 31 S 8.49 4.25 0.00 3.88 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 32 A 7.94 3.97 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 33 T 7.32 3.44 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 0.04 0.00 0.00 34 W 7.79 3.73 0.00 3.42 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.78 4.17 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.47 2.64 0.00 36 R 8.06 4.01 0.00 1.87 1.96 0.00 3.09 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 37 W 7.68 4.62 0.00 3.27 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 38 E 8.35 4.13 0.00 2.07 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 2.42 2.58 0.00 39 A 7.93 4.36 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 40 G 7.67 3.92 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 0.00 0.00 0.00 41 D 8.12 4.55 0.00 2.83 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.51 4.74 2.08 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 1.10 0.00 0.00 43 P 0.00 4.49 0.00 2.10 2.02 0.00 3.82 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 2.00 1.99 0.00 44 I 7.57 2.07 1.32 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.06 -0.37 0.00 0.00 45 S 7.27 4.04 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 46 P 0.00 4.14 0.00 2.16 2.05 0.00 3.62 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 2.08 2.12 0.00 47 E 8.05 3.97 0.00 2.08 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 2.42 2.47 0.00 48 I 7.53 3.82 1.62 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.26 0.91 0.00 0.00 49 I 7.71 3.52 1.91 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.46 0.83 0.00 0.00 50 A 7.94 3.96 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 51 R 7.65 3.91 0.00 2.06 2.06 0.00 3.25 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.88 0.00 52 L 8.02 4.22 0.00 1.78 1.81 0.91 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.38 4.23 0.00 1.94 1.87 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.63 7.81 54 E 7.93 4.35 0.00 2.12 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 2.32 2.37 0.00 *56 K 8.09 4.39 0.00 2.07 2.11 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.49 7.81 57 A 8.24 4.05 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.47 3.90 0.00 1.86 2.02 0.00 3.14 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.02 0.00 59 R 8.06 3.94 0.00 2.16 2.24 0.00 2.94 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 60 Q 8.15 4.00 0.00 2.33 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 61 R 8.20 3.93 0.00 2.08 1.98 0.00 3.20 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.97 0.00 62 R 8.19 3.97 0.00 2.00 2.00 0.00 3.18 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.96 0.00 63 I 7.86 3.69 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.71 0.87 0.00 0.00 64 N 8.37 4.29 0.00 2.73 2.87 0.00 0.00 6.98 6.89 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 65 A 7.96 4.02 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 66 I 7.64 3.82 2.00 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 1.46 0.67 0.94 0.00 0.00 67 V 7.95 3.62 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 1.02 0.00 0.00 0.97 0.00 0.00 68 D 8.23 4.43 0.00 2.91 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 69 K 7.74 4.51 0.00 1.78 1.81 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.61 7.81 70 I 7.50 3.70 1.99 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 1.54 1.03 0.98 0.00 0.00 71 N 8.21 4.44 0.00 2.69 2.89 0.00 0.00 6.83 8.00 0.00 0.00 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 N 7.57 4.75 0.00 2.65 2.85 0.00 0.00 6.95 8.76 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 73 R 7.30 4.08 0.00 1.82 1.95 0.00 3.29 0.00 0.00 3.44 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 74 I 8.27 4.00 1.88 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 1.36 0.96 0.92 0.00 0.00 75 G 8.65 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 0.00 0.00 0.00 76 N 8.23 4.50 0.00 2.74 2.78 0.00 0.00 6.85 8.00 0.00 0.00 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 N 8.56 4.68 0.00 2.78 3.05 0.00 0.00 6.60 7.05 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 78 T 7.49 5.64 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 R 8.18 3.95 0.00 1.68 1.00 0.00 3.23 0.00 0.00 3.12 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 81 Y 8.19 4.59 0.00 2.76 2.78 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 82 F 9.17 4.92 0.00 3.47 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 83 P 0.00 4.57 0.00 2.15 2.26 0.00 3.78 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.27 0.00 84 D 7.95 4.73 0.00 2.67 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 85 L 6.86 2.44 0.00 0.64 1.20 0.66 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 86 S 7.57 3.94 0.00 3.79 3.92 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 87 S 8.62 4.25 0.00 4.31 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 0.00 88 F 7.65 2.34 0.00 2.59 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Q 8.01 4.03 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.59 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 90 S 7.41 4.12 0.00 3.97 3.92 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 91 I 6.97 4.04 1.17 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.02 -0.02 0.00 0.00 92 Y 6.55 4.16 0.00 1.84 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 T 7.86 4.08 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 1.15 0.00 0.00 94 E 7.97 4.46 0.00 1.96 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 2.24 2.33 0.00 95 G 8.04 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 96 D 8.45 5.05 0.00 3.01 2.86 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 97 F 8.66 3.92 0.00 2.71 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 98 I 7.87 3.62 2.01 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.78 0.80 0.00 0.00 99 E 8.78 3.88 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 100 W 7.80 2.58 0.00 2.33 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 0.00 101 K 7.43 3.14 0.00 1.54 1.67 0.00 1.44 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.46 1.16 7.81 102 I 7.65 3.91 1.96 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.70 1.00 0.00 0.00 103 Y 8.12 3.95 0.00 3.17 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 0.00 104 Q 8.26 3.93 0.00 1.79 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.08 1.65 0.00 105 S 7.97 4.01 0.00 4.05 4.05 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 0.00 0.00 0.00 106 V 7.77 3.49 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 0.86 0.00 0.00 0.96 0.00 0.00 107 A 8.01 3.90 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 0.00 108 A 8.25 4.05 1.47 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 0.00 0.00 109 E 8.25 3.89 0.00 2.05 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 2.31 2.41 0.00 110 L 8.11 4.03 0.00 1.77 1.74 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 111 F 8.63 4.52 0.00 3.10 3.20 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 0.00 112 A 7.97 3.71 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 0.00 113 H 8.06 4.37 0.00 3.31 3.31 0.00 5.81 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 D 7.69 4.31 0.00 2.73 2.68 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 0.00 115 L 8.18 4.63 0.00 1.62 1.72 0.89 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.02 5.03 0.00 1.92 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 0.00 2.33 2.32 0.00 117 R 9.05 4.81 0.00 1.75 1.85 0.00 3.47 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 118 L 8.12 5.00 0.00 1.12 1.41 0.29 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 119 C 8.26 4.27 0.00 2.98 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 * Residues marked with a * may have inaccurate shift predictions.