NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 P 4.2195 0.0000 0.0000 62.9931 32.5424 176.0926 8 V 2.9173 8.2366 110.5451 62.2401 29.1663 171.6374 9 K 4.2794 7.6317 128.3609 56.1637 34.4485 177.3040 10 P 4.5142 0.0000 0.0000 65.1323 32.4584 175.6513 11 Y 4.8201 7.4584 118.4840 55.6998 40.5799 174.7301 12 D 4.6932 8.4709 123.4807 52.9278 45.0509 173.7255 13 L 5.4705 8.7667 125.0645 53.1925 45.4001 175.6978 14 T 4.7590 9.0208 113.9355 59.8520 71.5473 173.2404 15 V 5.1904 8.5454 124.0411 61.1243 34.2866 174.5214 16 S 4.8319 8.9804 121.9704 56.4571 65.9007 172.9474 17 V 4.7458 8.3092 122.7268 61.2995 34.2219 174.7703 18 T 4.4862 8.4675 124.7027 60.9946 70.2382 171.9540 19 P 5.2255 0.0000 0.0000 62.7897 33.1243 176.1967 20 R 4.6361 8.7276 115.0475 55.3470 32.8652 173.7019 21 Y 3.9651 9.1677 125.8928 57.7349 39.4730 175.7522 22 V 3.8490 7.4516 126.1982 60.4112 32.5950 174.3414 23 P 3.9259 0.0000 0.0000 65.3542 31.4761 178.9530 24 E 3.9668 8.0820 116.0476 58.9441 29.3810 177.5044 25 Q 4.5887 7.4834 115.2091 55.7324 29.2716 174.9174 26 S 4.6723 8.2070 113.5807 57.7842 66.3040 174.1534 27 D 4.5521 8.8436 123.1327 51.2535 41.6397 173.9883 28 P 3.4132 0.0000 0.0000 64.6499 31.5612 179.2534 29 S 4.2375 7.9338 112.4654 60.2390 63.2053 174.6717 30 Q 4.4861 7.1890 118.1450 55.0167 29.0614 175.1687 31 Q 3.6424 7.8024 116.1544 57.4752 26.8590 173.3922 32 Q 4.7327 7.8560 118.8715 54.4137 29.7375 173.1313 33 Y 4.8997 9.2148 121.6325 56.0044 40.5485 174.6279 34 V 4.7368 8.6707 124.8452 61.1756 34.0361 174.4791 35 F 5.4047 9.3123 125.8738 55.6651 42.9591 174.2946 36 A 5.2196 9.1549 122.1643 50.4623 21.9107 174.6531 37 Y 5.1308 8.6278 121.2271 55.6621 41.1984 175.0014 38 T 4.5848 8.2761 118.1107 61.8691 71.2692 173.4883 39 V 4.4966 8.3256 127.5230 61.8725 33.8011 175.0565 40 R 4.4952 8.9368 126.3528 54.9179 32.9121 173.4507 41 I 5.0205 9.1648 128.6162 60.2539 39.4258 175.3029 42 T 5.0598 8.7778 122.5883 61.7286 72.7902 172.7680 43 N 4.9720 9.1496 125.8093 53.2841 39.4978 174.5149 44 T 4.7294 8.5659 116.8449 61.4487 69.7612 174.3369 45 G 4.2520 7.9282 109.0338 44.7762 0.0000 173.9908 46 S 4.4202 8.9212 113.9237 60.1618 64.0529 173.8131 47 H 5.2493 7.7407 116.4620 52.9006 31.7451 171.9519 48 P 5.0253 0.0000 0.0000 63.3076 32.7452 175.1059 49 A 4.8235 8.6912 121.0084 51.1222 23.2789 175.0280 50 Q 5.0000 8.9948 121.2887 54.1269 32.1738 174.6520 51 V 3.6715 8.3314 126.3059 62.8692 32.2927 175.0011 52 I 4.2774 8.8136 129.3357 62.0048 38.3860 176.0351 53 S 5.2880 7.6937 113.9389 56.4326 67.3412 171.9994 54 R 5.1058 8.6543 115.0912 54.6979 32.9672 173.5269 55 H 5.1396 9.2499 122.0437 54.1749 32.8581 172.0510 56 W 5.3402 9.4636 125.6346 54.9494 32.4838 174.6239 57 I 4.8932 9.0648 125.6898 59.6498 38.8957 174.7811 58 I 4.4112 8.5480 121.8173 59.3609 39.9433 174.7693 59 T 4.9270 8.7216 122.9743 61.5663 71.3777 173.9846 60 D 4.7637 8.6900 125.3071 53.4586 42.0235 177.2653 61 G 3.7174 8.6323 111.1903 47.3430 0.0000 174.3747 62 E 4.4752 7.8417 118.2261 55.9395 30.0408 175.5762 63 E 3.6629 8.0500 117.1872 56.9825 28.6805 174.0229 64 R 4.3295 7.6997 116.7965 54.8776 30.9602 176.0347 65 V 4.5463 8.3001 124.3194 62.5656 33.1154 175.1324 66 Q 4.7243 8.7419 123.0921 54.5134 33.4193 173.6460 67 E 5.3349 8.8614 121.2850 54.6120 33.3401 175.4197 68 V 4.6372 8.9614 122.1383 61.3458 34.9469 174.5074 69 R 5.1519 8.4868 125.2259 54.9014 34.4899 174.5658 70 G 4.0673 8.1992 108.0247 46.3629 0.0000 171.4953 71 L 4.8792 8.6769 119.3360 53.8013 43.7852 178.3196 72 G 3.7744 9.4174 114.7021 44.7750 0.0000 173.1246 73 V 4.0563 8.1078 111.3845 60.1017 33.5991 176.6475 74 V 2.8922 8.7084 126.0235 64.2683 29.3008 171.7298 75 G 4.0179 8.2777 101.1031 45.9009 0.0000 173.3495 76 Q 4.5644 7.5045 116.5767 54.5897 32.4088 173.0793 77 Q 4.7737 8.2470 120.2412 51.5813 29.5116 172.1606 78 P 4.1850 0.0000 0.0000 62.6189 33.0062 175.7969 79 L 4.8550 8.4198 125.8007 53.6374 42.4932 174.6534 80 L 4.6348 8.8700 126.9661 53.5293 43.0865 177.0708 81 A 4.4328 9.8837 127.8315 50.7709 19.1242 174.8891 82 P 5.2842 0.0000 0.0000 63.8212 31.6261 175.2584 83 G 4.1459 9.1828 111.9429 45.4430 0.0000 173.7612 84 E 4.5251 8.1125 117.3209 56.1367 31.2729 176.0414 85 T 5.3155 8.3448 109.5092 60.1730 72.6577 172.9608 86 F 4.9093 9.4658 124.5241 56.6479 42.6467 173.0595 87 E 5.7373 8.6268 123.2881 53.9377 32.7678 173.9761 88 Y 5.0150 8.1204 119.0278 56.0656 42.2421 173.2593 89 T 5.0740 8.3680 108.7303 58.8025 71.5838 173.0421 90 S 4.7090 7.6820 118.7385 56.3046 66.3825 172.6574 91 G 4.3603 8.4932 109.8821 45.3942 0.0000 173.5219 92 C 4.8142 9.0926 121.2144 57.5285 33.8820 171.1529 93 P 5.2888 0.0000 0.0000 62.7424 32.3847 175.6048 94 L 4.8209 9.3955 120.6372 53.4199 46.0849 175.1026 95 P 5.4297 0.0000 0.0000 63.4086 31.9223 176.3743 96 T 4.5115 7.5332 108.6562 58.6898 71.1919 173.5571 97 P 3.2272 0.0000 0.0000 64.1284 31.6323 175.7905 98 I 4.9951 6.6548 111.4519 59.2110 40.6468 174.0219 99 G 3.8604 7.7324 107.9378 46.7374 0.0000 171.0968 100 T 5.1384 7.5863 109.0009 58.7575 72.2261 172.7590 *102 R 4.3196 8.5270 115.9059 57.2244 31.1958 175.2159 103 G 3.6120 8.3871 107.0775 46.5971 0.0000 171.3327 104 T 4.7307 8.3233 115.7339 62.3417 73.6654 172.6073 105 Y 5.1079 8.2370 122.3969 56.6027 41.0121 174.2765 106 H 4.9881 9.1037 121.2971 54.5747 31.1391 173.8771 107 C 5.2526 8.6881 120.8059 58.2529 32.6881 173.0022 108 V 4.5270 7.7064 111.1334 60.3659 36.1106 175.2648 109 G 3.7330 8.8957 113.2487 45.2192 0.0000 174.4798 110 E 4.1874 8.6672 117.8428 58.9144 29.5912 177.6319 111 N 4.6390 7.6761 115.8133 52.6977 37.1103 176.8335 112 G 3.9187 7.9998 107.0802 46.4745 0.0000 174.6635 113 I 3.8687 7.6056 122.5214 60.3387 37.4880 173.9340 114 P 5.0001 0.0000 0.0000 62.9604 32.6147 175.1172 115 F 4.9181 8.4054 114.1004 56.3817 41.5322 172.3365 116 E 5.0355 9.0698 118.9728 54.7877 32.1320 176.4052 117 V 4.5036 8.3968 118.0947 58.7259 32.9624 173.5416 118 P 4.4608 0.0000 0.0000 62.8138 32.4748 176.2898 119 I 4.4469 8.4511 122.5349 59.2039 39.0568 174.8373 120 A 4.2198 8.8135 128.9023 52.0245 18.8900 176.6449 121 E 3.8296 8.9646 123.1433 56.3709 30.2569 175.8247 122 F 5.2217 8.0782 120.4934 54.8991 41.7086 173.7180 123 L 5.0585 8.5626 118.8437 53.9789 43.2695 175.4737 124 L 4.8027 8.8332 120.1565 51.8782 44.6150 174.0656 125 A 5.1686 8.9119 129.6668 51.9871 23.9116 177.3444 *127 P 4.1131 0.0000 0.0000 66.4638 30.4093 176.5351 128 R 4.8638 7.4340 132.5066 57.7302 30.6526 173.9697 129 T 4.1353 7.5428 113.5437 61.8804 69.0453 174.6027 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 7 P 0.00 4.22 0.00 2.18 2.16 0.00 3.86 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.95 0.00 8 V 8.24 2.92 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 0.65 0.00 0.00 0.88 0.00 0.00 9 K 7.63 4.28 0.00 1.67 1.69 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.40 7.81 10 P 0.00 4.51 0.00 1.59 2.12 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.77 0.00 11 Y 7.46 4.82 0.00 2.41 2.29 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 12 D 8.47 4.69 0.00 2.70 2.41 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 13 L 8.77 5.47 0.00 1.71 1.64 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 14 T 9.02 4.76 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 1.26 0.00 0.00 15 V 8.55 5.19 2.23 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 1.11 0.00 0.00 1.23 0.00 0.00 16 S 8.98 4.83 0.00 3.90 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 17 V 8.31 4.75 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.99 0.00 0.00 18 T 8.47 4.49 4.20 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 1.20 0.00 0.00 19 P 0.00 5.23 0.00 2.25 2.27 0.00 3.72 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 2.07 2.28 0.00 20 R 8.73 4.64 0.00 1.96 2.10 0.00 2.79 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.58 0.00 21 Y 9.17 3.97 0.00 2.84 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 22 V 7.45 3.85 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 0.80 0.00 0.00 0.88 0.00 0.00 23 P 0.00 3.93 0.00 2.17 2.16 0.00 3.50 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 24 E 8.08 3.97 0.00 1.84 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 2.28 2.34 0.00 25 Q 7.48 4.59 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.63 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 26 S 8.21 4.67 0.00 3.59 3.81 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 27 D 8.84 4.55 0.00 2.55 2.39 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 28 P 0.00 3.41 0.00 2.27 2.18 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.95 0.00 29 S 7.93 4.24 0.00 3.98 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 30 Q 7.19 4.49 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.86 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 31 Q 7.80 3.64 0.00 2.40 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 32 Q 7.86 4.73 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.54 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 33 Y 9.21 4.90 0.00 3.35 3.03 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 34 V 8.67 4.74 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 1.04 0.00 0.00 1.01 0.00 0.00 35 F 9.31 5.40 0.00 3.14 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 36 A 9.15 5.22 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 37 Y 8.63 5.13 0.00 2.92 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 38 T 8.28 4.58 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 1.18 0.00 0.00 39 V 8.33 4.50 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 1.26 0.00 0.00 1.12 0.00 0.00 40 R 8.94 4.50 0.00 1.89 1.88 0.00 3.13 0.00 0.00 3.19 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 41 I 9.16 5.02 2.02 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.93 0.94 0.00 0.00 42 T 8.78 5.06 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 1.25 0.00 0.00 43 N 9.15 4.97 0.00 2.90 2.99 0.00 0.00 6.52 6.70 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 44 T 8.57 4.73 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 1.30 0.00 0.00 45 G 7.93 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.92 4.42 0.00 3.66 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 47 H 7.74 5.25 0.00 2.73 3.29 0.00 5.86 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 5.03 0.00 2.16 2.03 0.00 3.91 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 2.17 2.15 0.00 49 A 8.69 4.82 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 8.99 5.00 0.00 2.03 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.92 0.00 0.00 0.00 0.00 0.00 2.11 2.30 0.00 51 V 8.33 3.67 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 0.38 0.00 0.00 0.61 0.00 0.00 52 I 8.81 4.28 1.93 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.00 0.84 0.00 0.00 53 S 7.69 5.29 0.00 3.96 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.65 5.11 0.00 1.67 2.22 0.00 3.11 0.00 0.00 3.45 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 55 H 9.25 5.14 0.00 3.09 3.01 0.00 5.54 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 W 9.46 5.34 0.00 3.23 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 57 I 9.06 4.89 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.45 0.88 0.00 0.00 58 I 8.55 4.41 1.69 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.65 0.74 0.00 0.00 59 T 8.72 4.93 4.12 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 1.18 0.00 0.00 60 D 8.69 4.76 0.00 2.91 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 61 G 8.63 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 7.84 4.48 0.00 1.92 1.91 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 2.19 2.19 0.00 63 E 8.05 3.66 0.00 2.08 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 0.00 2.18 2.29 0.00 64 R 7.70 4.33 0.00 1.90 1.85 0.00 3.54 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 65 V 8.30 4.55 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.91 0.00 0.00 66 Q 8.74 4.72 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.51 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 67 E 8.86 5.33 0.00 1.86 1.91 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 2.26 2.30 0.00 68 V 8.96 4.64 2.35 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 1.19 0.00 0.00 1.04 0.00 0.00 69 R 8.49 5.15 0.00 1.70 1.76 0.00 3.26 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.65 0.00 70 G 8.20 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 71 L 8.68 4.88 0.00 1.51 1.55 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 72 G 9.42 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.11 4.06 1.59 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 0.71 0.00 0.00 0.32 0.00 0.00 74 V 8.71 2.89 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.53 0.00 0.00 75 G 8.28 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 76 Q 7.50 4.56 0.00 2.31 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.25 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 77 Q 8.25 4.77 0.00 1.82 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.07 0.00 78 P 0.00 4.19 0.00 1.97 2.00 0.00 3.21 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.44 0.00 79 L 8.42 4.85 0.00 1.64 1.64 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.87 4.63 0.00 1.67 1.63 0.96 1.13 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 81 A 9.88 4.43 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 82 P 0.00 5.28 0.00 2.16 2.15 0.00 3.36 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 83 G 9.18 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.11 4.53 0.00 2.14 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 0.00 2.50 2.32 0.00 85 T 8.34 5.32 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 1.26 0.00 0.00 86 F 9.47 4.91 0.00 3.08 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.63 5.74 0.00 2.11 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 2.10 2.05 0.00 88 Y 8.12 5.01 0.00 3.08 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 89 T 8.37 5.07 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 1.12 0.00 0.00 90 S 7.68 4.71 0.00 4.02 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 91 G 8.49 4.36 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 0.00 92 C 9.09 4.81 0.00 3.06 2.93 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 93 P 0.00 5.29 0.00 2.19 2.10 0.00 3.89 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 94 L 9.40 4.82 0.00 1.82 1.72 0.70 1.05 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 95 P 0.00 5.43 0.00 2.12 2.18 0.00 4.01 0.00 0.00 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 96 T 7.53 4.51 4.12 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 1.32 0.00 0.00 97 P 0.00 3.23 0.00 1.98 1.77 0.00 3.36 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.76 0.00 98 I 6.65 5.00 1.78 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.62 0.84 0.00 0.00 99 G 7.73 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 0.00 0.00 0.00 100 T 7.59 5.14 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 1.07 0.00 0.00 *102 R 8.53 4.32 0.00 1.92 2.06 0.00 2.95 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 103 G 8.39 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.32 4.73 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 0.99 0.00 0.00 105 Y 8.24 5.11 0.00 2.90 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 0.00 106 H 9.10 4.99 0.00 2.97 3.12 0.00 5.55 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 0.00 107 C 8.69 5.25 0.00 1.37 2.41 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 0.00 108 V 7.71 4.53 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 0.49 0.00 0.00 0.80 0.00 0.00 109 G 8.90 3.73 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 0.00 0.00 0.00 110 E 8.67 4.19 0.00 2.17 2.21 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 2.60 2.40 0.00 111 N 7.68 4.64 0.00 2.92 3.03 0.00 0.00 6.98 6.88 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 0.00 112 G 8.00 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 0.00 113 I 7.61 3.87 1.76 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.83 0.92 0.00 0.00 114 P 0.00 5.00 0.00 2.03 1.98 0.00 3.79 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 1.98 1.93 0.00 115 F 8.41 4.92 0.00 3.09 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 0.00 116 E 9.07 5.04 0.00 1.89 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 2.26 2.36 0.00 117 V 8.40 4.50 2.25 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 1.30 0.00 0.00 1.10 0.00 0.00 118 P 0.00 4.46 0.00 2.07 2.06 0.00 3.78 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 119 I 8.45 4.45 2.01 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.97 1.19 0.00 0.00 120 A 8.81 4.22 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 0.00 121 E 8.96 3.83 0.00 1.90 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 2.18 2.13 0.00 122 F 8.08 5.22 0.00 3.06 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 0.00 123 L 8.56 5.06 0.00 1.66 1.59 0.90 0.59 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 0.00 124 L 8.83 4.80 0.00 0.53 0.13 0.41 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.91 5.17 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *127 P 0.00 4.11 0.00 2.26 2.25 0.00 3.73 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.09 0.00 128 R 7.43 4.86 0.00 1.84 1.88 0.00 3.22 0.00 0.00 3.27 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.36 0.00 129 T 7.54 4.14 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 * Residues marked with a * may have inaccurate shift predictions.