NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2830 8.2649 123.5822 51.8693 19.8660 176.9830 3 V 3.9036 7.5285 114.9656 59.4372 33.2069 174.5459 4 A 4.4524 8.6562 128.1867 50.5659 21.1916 175.2178 5 D 4.7286 8.4026 122.8655 52.4448 41.8562 177.0214 6 L 4.0022 8.4580 127.6893 57.5434 41.9194 179.1643 7 A 4.1669 8.1537 120.4166 54.0110 18.3433 178.0092 8 L 4.2859 7.4658 114.7128 55.5998 42.4320 176.9219 9 I 4.1289 7.4310 120.4085 59.1315 37.2164 174.0455 10 P 4.3889 0.0000 0.0000 62.8982 31.8307 176.1765 11 D 4.5331 8.8735 121.2148 56.8159 41.9503 176.3080 12 V 4.9199 7.6919 116.8363 61.0317 34.1460 174.7315 13 D 4.7384 9.0730 126.8401 52.6493 43.5010 173.4829 14 I 4.6813 8.1746 124.5922 58.7440 41.4495 174.2421 15 D 4.5723 7.5378 128.3058 54.0791 41.6128 176.2206 16 S 4.2070 8.3225 110.8688 57.9485 63.6065 173.7330 17 D 4.8138 8.5594 119.1477 55.7634 43.9381 174.7260 18 G 4.2176 7.8594 109.4364 45.7764 0.0000 171.6339 19 V 4.7174 8.6036 124.7733 61.7760 32.6670 175.8553 20 F 5.0535 7.8639 121.3713 55.3043 41.5015 173.7739 21 K 4.8132 8.6671 119.5591 56.5679 33.6297 175.4487 22 Y 5.0425 8.8359 120.4533 55.7609 42.3436 174.0744 23 V 4.4153 9.0084 111.8120 59.5037 36.8225 174.4011 24 L 5.0241 8.5533 125.7398 53.7420 43.7251 175.1130 25 I 5.0446 8.6912 127.3695 59.4756 40.7308 174.5415 26 R 5.0069 8.9196 126.6244 54.9128 31.4677 175.2519 27 V 4.6751 8.4761 119.9717 60.3607 34.2870 174.5765 28 H 5.0343 9.0629 124.1495 54.2761 32.2761 173.3100 29 S 4.6437 8.7101 121.0788 57.8148 63.4636 173.0527 30 A 4.4078 8.3032 124.7090 50.3164 19.3188 175.6590 31 P 4.2421 0.0000 0.0000 63.0742 30.1120 175.9505 *39 E 4.2304 8.3772 123.5097 55.4708 31.4811 175.0393 40 S 4.9787 7.9207 109.6831 58.5433 65.4281 173.7911 41 K 4.5950 8.3570 124.3072 56.3585 36.0027 173.6100 42 E 5.3650 8.6758 119.7199 54.5673 31.7908 175.8157 43 I 4.8118 9.2404 117.1191 59.1404 41.5523 174.1557 44 V 4.6212 9.3299 125.1694 61.8382 33.4454 175.0336 45 R 4.9570 8.2659 125.6602 54.2903 34.6625 174.3980 46 G 4.4195 7.5785 109.7412 45.0459 0.0000 171.3022 47 Y 4.5974 7.8237 120.6153 55.8458 42.0410 176.5987 48 K 4.2182 8.7848 121.5142 58.2791 32.4199 178.3655 49 W 4.4355 7.8002 114.0587 57.0527 28.7106 175.6255 50 A 4.7754 6.8196 122.3695 50.6018 19.5460 177.0458 51 E 3.9134 8.9472 123.3860 58.5997 29.9820 176.7674 52 Y 4.8959 7.7558 114.5272 55.6240 41.8375 176.2876 53 H 4.2580 8.9633 118.5295 59.0017 28.7978 177.8844 54 A 4.9877 8.2730 123.5662 54.8806 18.1080 179.2895 55 D 4.5634 8.1165 117.6511 57.6101 40.8513 179.0326 56 I 3.8479 7.7478 119.8614 64.6104 37.2239 177.5848 57 Y 4.0185 8.4051 120.4750 60.7773 38.5816 177.7990 58 D 4.3229 8.7723 120.1267 57.2857 41.0107 178.4366 59 K 3.8785 8.1965 120.0741 59.7234 32.0321 179.1478 60 V 3.6563 8.0117 118.3635 64.9380 31.5250 178.2364 61 S 4.1280 7.9950 114.3735 60.4277 62.6329 176.5566 62 G 3.7119 7.5900 109.0181 47.6198 0.0000 177.4131 63 D 4.5391 7.9105 122.2807 53.9419 40.8387 178.5819 *65 Q 4.3879 8.1676 120.2816 56.0300 30.7167 177.3174 66 K 4.2618 7.8160 114.4088 57.6477 32.1577 177.3284 67 Q 4.4857 7.8472 116.4268 54.9578 29.6408 175.2540 68 G 3.8549 7.9620 105.7472 47.1462 0.0000 173.5272 69 C 5.1198 8.0155 115.3781 57.5497 31.3813 173.6132 70 D 4.8604 8.7989 122.3778 53.5406 42.7141 174.8463 71 C 5.5438 8.5534 120.5851 58.2516 32.0114 173.4350 72 E 4.6804 8.7375 120.5652 55.1957 33.7960 173.9174 73 C 4.2414 8.3878 125.7450 58.4149 31.8692 172.5504 74 L 4.4258 8.7935 126.8601 54.5728 42.1567 175.6545 75 G 3.8632 7.5588 105.6037 44.0844 0.0000 172.9095 76 G 4.0485 7.9865 106.8659 45.5837 0.0000 172.7003 77 G 4.1808 6.9950 108.0699 46.1343 0.0000 172.5456 78 R 5.0305 8.5244 121.7410 54.3996 35.1525 174.1898 79 I 4.6546 8.3068 122.9452 59.4937 40.4307 174.5878 80 S 4.2704 9.2971 123.0163 57.0510 63.3561 171.9716 81 H 4.9168 8.5584 128.3612 55.1235 30.6687 175.1634 82 Q 4.7035 9.2928 127.2073 53.4319 28.0987 176.2515 83 S 4.3982 8.7753 118.4362 61.4076 63.5162 177.7373 84 Q 3.9561 8.1900 120.7452 59.2605 28.8804 176.3358 85 D 4.5418 8.0450 113.9115 53.4290 41.6413 176.5087 86 K 3.0624 7.3838 117.0650 57.3503 30.0481 174.7410 87 K 5.2682 8.2568 116.7573 54.8078 37.2264 177.6821 88 I 4.8668 8.5423 123.2121 60.1485 40.9369 173.4852 89 H 5.3239 9.0716 127.9089 54.3151 32.3053 173.3938 90 V 4.8022 8.5201 125.5559 61.4609 34.1940 174.0305 91 Y 4.3865 8.8217 125.6388 57.5028 41.2644 174.2397 92 G 3.7807 9.3662 107.7201 46.1318 0.0000 171.5074 93 Y 5.3356 7.3271 115.9544 56.3881 41.5748 173.4544 94 S 4.5669 8.1437 113.8120 57.0981 63.9801 173.8475 *96 A 4.0562 8.4767 118.9653 51.9432 20.1837 176.7913 97 Y 4.6262 7.2904 110.8678 56.3399 40.3361 176.5446 98 G 3.8746 8.5158 109.8925 43.6202 0.0000 171.0227 99 P 4.8069 0.0000 0.0000 62.4932 32.0402 175.5925 100 A 4.6723 7.9619 122.7739 50.8827 21.0579 178.2081 101 Q 4.0782 7.9996 120.8091 54.9269 27.4428 175.9047 102 H 4.0763 8.1058 122.4684 57.8543 29.0789 176.5026 103 A 2.8704 6.7101 122.4600 54.6113 18.2630 179.5432 104 I 3.6423 7.7080 118.6232 64.3821 37.1621 178.7907 105 S 4.0961 7.8492 115.8410 61.8389 62.6855 176.7151 106 T 3.9570 8.0490 112.2899 64.0999 68.6493 176.4419 107 E 3.8903 7.8026 122.2481 59.4143 29.3211 178.9443 108 K 4.0309 7.9254 118.2365 59.2413 31.9978 179.6561 109 I 3.8016 7.9030 120.2407 64.4221 36.9459 178.3492 110 K 4.0877 8.2322 119.0091 59.5297 31.9714 178.2822 111 A 4.1132 7.7650 120.0725 54.5509 18.3212 178.9010 112 K 3.9576 7.4189 116.5946 57.4159 34.0970 176.5655 113 Y 4.8512 7.8861 116.9502 55.3396 37.8561 174.2102 114 P 4.4542 0.0000 0.0000 65.8345 32.0619 178.6721 115 D 4.5205 8.2238 117.0331 56.3954 41.0582 175.9677 116 Y 4.4635 7.8066 116.4134 57.4863 39.4233 175.0534 117 E 4.4931 8.9274 123.6374 55.1074 30.8101 174.7046 118 V 4.9690 8.3985 127.4377 61.8002 33.5613 174.6370 119 T 5.0192 8.6685 116.0503 60.4600 72.7161 172.2207 120 W 5.6276 8.1143 117.5464 55.0531 31.4525 174.7047 121 A 4.3524 9.1038 123.2352 52.1790 18.2774 176.8843 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 A 8.26 4.28 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 3 V 7.53 3.90 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 0.70 0.00 0.00 0.93 0.00 0.00 4 A 8.66 4.45 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 5 D 8.40 4.73 0.00 2.68 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 6 L 8.46 4.00 0.00 1.78 1.69 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.15 4.17 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 8 L 7.47 4.29 0.00 1.76 1.73 0.92 1.08 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 9 I 7.43 4.13 1.87 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 1.36 0.37 0.92 0.00 0.00 10 P 0.00 4.39 0.00 2.18 2.06 0.00 3.79 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 11 D 8.87 4.53 0.00 2.68 2.74 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 12 V 7.69 4.92 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 0.89 0.00 0.00 0.97 0.00 0.00 13 D 9.07 4.74 0.00 2.80 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 14 I 8.17 4.68 1.93 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 1.52 1.21 0.99 0.00 0.00 15 D 7.54 4.57 0.00 1.58 2.19 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 16 S 8.32 4.21 0.00 3.81 3.79 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 17 D 8.56 4.81 0.00 2.62 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 18 G 7.86 4.22 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 0.00 19 V 8.60 4.72 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 0.87 0.00 0.00 0.95 0.00 0.00 20 F 7.86 5.05 0.00 3.19 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 21 K 8.67 4.81 0.00 1.54 1.35 0.00 1.37 0.00 0.00 1.51 0.00 0.00 2.75 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.32 7.81 22 Y 8.84 5.04 0.00 3.14 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.01 4.42 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 0.77 0.00 0.00 1.02 0.00 0.00 24 L 8.55 5.02 0.00 1.86 1.49 1.03 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 25 I 8.69 5.04 1.91 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.94 1.08 0.00 0.00 26 R 8.92 5.01 0.00 1.86 1.80 0.00 3.08 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.82 0.00 27 V 8.48 4.68 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.93 0.00 0.00 28 H 9.06 5.03 0.00 3.15 3.13 0.00 5.58 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.71 4.64 0.00 4.00 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 30 A 8.30 4.41 1.25 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 31 P 0.00 4.24 0.00 2.06 2.08 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 *39 E 8.38 4.23 0.00 1.99 1.93 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 2.15 2.27 0.00 40 S 7.92 4.98 0.00 3.72 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 41 K 8.36 4.59 0.00 1.82 1.85 0.00 1.51 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.39 1.46 7.81 42 E 8.68 5.36 0.00 1.84 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 0.00 2.21 2.26 0.00 43 I 9.24 4.81 1.98 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 1.30 0.82 0.92 0.00 0.00 44 V 9.33 4.62 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.93 0.00 0.00 45 R 8.27 4.96 0.00 1.72 1.68 0.00 3.55 0.00 0.00 3.31 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 46 G 7.58 4.42 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 0.00 47 Y 7.82 4.60 0.00 1.51 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 0.00 0.00 0.00 0.00 48 K 8.78 4.22 0.00 1.90 1.92 0.00 1.77 0.00 0.00 1.92 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.67 1.33 7.81 49 W 7.80 4.44 0.00 3.42 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 50 A 6.82 4.78 0.85 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 51 E 8.95 3.91 0.00 1.87 1.16 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 2.14 2.28 0.00 52 Y 7.76 4.90 0.00 3.14 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 53 H 8.96 4.26 0.00 3.41 3.60 0.00 5.83 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.27 4.99 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 55 D 8.12 4.56 0.00 3.03 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 56 I 7.75 3.85 2.07 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.58 0.96 0.00 0.00 57 Y 8.41 4.02 0.00 3.04 3.28 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 58 D 8.77 4.32 0.00 3.15 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 59 K 8.20 3.88 0.00 2.11 2.40 0.00 1.52 0.00 0.00 1.61 0.00 0.00 3.48 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.69 1.67 7.81 60 V 8.01 3.66 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 0.85 0.00 0.00 0.94 0.00 0.00 61 S 8.00 4.13 0.00 3.67 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 62 G 7.59 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 63 D 7.91 4.54 0.00 2.85 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 *65 Q 8.17 4.39 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.22 6.99 0.00 0.00 0.00 0.00 0.00 2.33 2.63 0.00 66 K 7.82 4.26 0.00 1.98 1.84 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.39 7.81 67 Q 7.85 4.49 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.45 2.25 0.00 68 G 7.96 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 69 C 8.02 5.12 0.00 2.82 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 70 D 8.80 4.86 0.00 2.95 2.55 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 0.00 71 C 8.55 5.54 0.00 2.78 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 72 E 8.74 4.68 0.00 1.84 1.78 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 2.25 2.29 0.00 73 C 8.39 4.24 0.00 1.23 1.78 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 74 L 8.79 4.43 0.00 1.47 1.60 0.92 0.86 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 75 G 7.56 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 76 G 7.99 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 0.00 0.00 0.00 77 G 6.99 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 0.00 0.00 0.00 0.00 78 R 8.52 5.03 0.00 0.67 1.35 0.00 2.89 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.25 0.00 79 I 8.31 4.65 1.01 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.83 0.62 0.00 0.00 80 S 9.30 4.27 0.00 3.91 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 81 H 8.56 4.92 0.00 3.29 3.33 0.00 5.76 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 9.29 4.70 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.50 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 83 S 8.78 4.40 0.00 4.13 4.52 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 84 Q 8.19 3.96 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.27 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 85 D 8.04 4.54 0.00 2.68 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 86 K 7.38 3.06 0.00 1.68 1.13 0.00 0.89 0.00 0.00 0.92 0.00 0.00 2.75 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.09 1.29 7.81 87 K 8.26 5.27 0.00 1.68 1.65 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.53 7.81 88 I 8.54 4.87 1.78 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.59 0.75 0.00 0.00 89 H 9.07 5.32 0.00 3.22 3.15 0.00 5.72 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.52 4.80 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 0.62 0.00 0.00 0.75 0.00 0.00 91 Y 8.82 4.39 0.00 3.05 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 G 9.37 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 0.00 0.00 0.00 93 Y 7.33 5.34 0.00 3.05 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 94 S 8.14 4.57 0.00 3.19 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 *96 A 8.48 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 7.29 4.63 0.00 2.83 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 98 G 8.52 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 99 P 0.00 4.81 0.00 2.21 2.14 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 100 A 7.96 4.67 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 0.00 101 Q 8.00 4.08 0.00 2.03 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.79 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 102 H 8.11 4.08 0.00 3.14 3.37 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 6.71 2.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.71 3.64 1.89 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.96 0.87 0.00 0.00 105 S 7.85 4.10 0.00 3.86 3.67 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 0.00 0.00 0.00 0.00 106 T 8.05 3.96 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 1.44 0.00 0.00 107 E 7.80 3.89 0.00 2.15 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 0.00 2.31 2.48 0.00 108 K 7.93 4.03 0.00 1.86 1.83 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.59 7.81 109 I 7.90 3.80 1.88 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.83 1.00 0.00 0.00 110 K 8.23 4.09 0.00 1.81 2.00 0.00 1.97 0.00 0.00 1.80 0.00 0.00 3.18 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.57 7.81 111 A 7.77 4.11 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 K 7.42 3.96 0.00 1.56 1.56 0.00 1.59 0.00 0.00 1.41 0.00 0.00 3.13 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.35 1.11 7.81 113 Y 7.89 4.85 0.00 2.84 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 0.00 114 P 0.00 4.45 0.00 2.22 2.22 0.00 3.89 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 2.05 2.01 0.00 115 D 8.22 4.52 0.00 2.74 2.77 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 0.00 116 Y 7.81 4.46 0.00 3.22 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 0.00 117 E 8.93 4.49 0.00 2.08 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 2.26 0.00 118 V 8.40 4.97 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 0.94 0.00 0.00 1.02 0.00 0.00 119 T 8.67 5.02 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 1.22 0.00 0.00 120 W 8.11 5.63 0.00 3.52 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 0.00 121 A 9.10 4.35 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 * Residues marked with a * may have inaccurate shift predictions.