NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 P 4.3479 0.0000 0.0000 62.6315 32.8114 175.0521 10 M 4.0872 8.9224 118.5060 53.8620 33.1228 177.0473 11 R 3.4124 8.2234 123.5343 58.6990 32.6909 176.5959 12 R 4.5993 8.3731 115.2126 55.7070 30.2396 176.8342 13 R 4.7491 7.8909 114.5495 56.1146 31.2429 175.3955 14 R 4.6726 7.9065 111.3370 55.2606 32.7235 175.7456 15 E 3.7420 8.6706 118.8120 56.4912 28.0048 176.5622 16 A 4.8533 10.1619 110.6180 50.7762 20.3588 177.2989 17 R 4.5093 8.6586 125.5128 57.1264 28.3902 176.7642 18 T 4.1915 7.3459 108.8098 63.3665 67.6689 172.8556 19 D 4.3295 9.0979 117.0633 56.5257 45.8345 178.7652 20 Y 3.9683 8.5386 119.0533 59.9326 40.0574 177.4127 21 H 3.8290 6.4891 116.7592 58.0885 28.8291 176.8497 22 Q 4.1527 10.1166 114.5773 57.2435 28.8776 177.4005 23 R 4.2012 8.7127 120.3582 59.1066 30.4706 178.0172 24 L 4.0063 7.9363 118.0250 57.4021 41.2370 179.1015 25 R 3.8444 7.9116 118.6767 59.8684 30.1739 178.2066 26 L 4.1451 7.9150 117.4440 56.8694 41.5054 178.5034 27 L 3.8020 8.0467 120.0027 59.2505 41.9720 179.4757 28 K 4.5348 7.0094 118.0122 56.9690 33.3133 175.9966 29 S 4.4672 7.6738 110.1677 57.7014 67.0862 174.5575 30 G 4.1243 9.3648 108.5290 45.3012 0.0000 174.7401 31 K 4.3362 7.8742 115.3849 54.7454 35.8057 172.0806 32 P 4.8891 0.0000 0.0000 62.9799 32.0959 177.8753 33 R 4.1968 9.1658 123.1846 57.8846 29.0693 176.8781 34 L 3.8226 7.3109 116.2369 55.0786 40.4117 178.5386 35 V 4.3779 12.0000 120.0403 64.0989 32.7182 174.5779 36 A 4.9433 8.7664 130.5895 50.1650 19.7279 175.3811 37 R 4.2656 9.0505 121.7009 56.4657 31.2430 176.3736 38 K 4.8184 8.3082 122.6501 55.1120 35.7754 176.3114 39 S 4.4268 8.7353 113.3166 59.2443 65.3744 180.1228 40 N 3.5035 8.9716 116.0453 53.9084 40.3173 175.6484 41 K 4.6109 6.9230 123.0439 57.1361 34.8366 174.0330 42 H 4.5527 12.0000 113.1846 55.4220 31.2309 173.1116 43 V 4.7826 7.5024 118.1503 61.2955 35.0835 174.4341 44 R 4.5954 9.7688 126.2597 54.7775 34.1314 173.9853 45 A 5.0855 8.1113 124.8765 49.5384 22.2452 176.4538 46 Q 4.5833 8.2168 117.9941 54.9655 31.7916 178.9590 47 L 4.5089 7.8250 115.0386 55.2876 43.3952 174.5139 48 V 4.7878 7.4615 119.2937 63.2406 32.8797 175.2044 49 T 4.6543 8.7031 125.4028 61.4576 70.6363 171.6038 *52 P 3.8932 0.0000 0.0000 64.7161 32.0322 177.1523 53 N 3.6497 9.3102 115.8166 55.2493 36.5793 177.0697 54 G 3.9088 7.5283 118.7453 46.4437 0.0000 174.6059 55 D 4.9276 9.1215 119.5778 53.1684 40.4441 173.8200 56 D 4.4539 7.4329 123.3009 53.6611 46.2515 178.0532 57 T 4.1660 8.8456 108.6636 61.6690 71.6145 173.2493 58 L 4.4139 8.5942 119.5434 58.9408 40.8732 178.4937 59 A 3.8627 6.9595 126.9917 54.4139 15.7563 177.3859 60 S 4.2363 7.7888 118.5675 60.3613 63.8244 175.4485 61 A 4.6662 7.6156 120.6957 51.6129 21.5241 174.5844 62 H 5.0968 8.3579 118.7637 54.1611 33.1251 174.7122 63 S 4.2983 8.4207 115.9952 60.8880 62.8521 176.3206 64 S 4.1936 8.1862 111.7115 61.7951 62.7844 177.1137 65 D 4.4242 6.8790 117.8949 56.7849 41.4674 177.5507 66 L 4.4032 7.6225 116.3568 54.4155 41.1550 175.5547 67 A 3.3275 8.5843 123.0974 53.2323 18.7235 176.9796 68 E 5.3764 8.2539 113.2116 54.9351 30.4786 178.2005 69 Y 2.9230 7.2313 116.3486 59.2915 36.4752 172.2588 70 G 3.8609 7.0157 107.3855 45.5408 0.0000 173.3671 71 W 5.1185 8.1501 117.5625 55.4207 30.0219 176.5335 72 E 3.4378 8.0454 114.8486 57.1826 29.7306 175.0086 *74 P 4.4101 0.0000 0.0000 62.9491 32.8166 178.8219 75 T 4.0704 9.5874 111.7682 62.5839 73.9110 176.8687 76 G 3.6218 8.8222 104.9214 47.9468 0.0000 176.0064 *80 S 4.2397 7.1526 115.2447 55.9327 65.8469 177.4656 81 A 2.9848 8.1717 114.4405 51.9925 19.9072 181.0343 82 Y 3.7316 7.5423 114.1896 58.8934 38.8990 175.3510 83 L 4.3640 9.5254 118.5817 55.2972 43.2799 180.2980 84 T 3.8149 7.9910 114.5608 66.5286 68.9252 175.7393 85 G 3.7213 8.3536 110.8663 45.8994 0.0000 177.3311 86 L 3.1702 7.7089 111.9578 54.0298 43.3956 178.6545 87 L 3.4474 7.2672 116.4654 57.9025 42.4667 180.0221 88 A 4.4825 8.2624 118.7388 55.3424 19.6901 179.4503 89 G 4.0447 8.7592 104.1536 46.9874 0.0000 175.4836 90 L 3.9738 9.8862 119.8597 57.4564 41.8983 178.8908 91 R 4.0512 8.0359 117.8643 59.9173 29.0815 177.7767 92 A 4.0949 8.1587 120.4556 54.8662 18.2867 179.1749 93 Q 4.0369 7.8433 114.6377 58.1637 28.7972 178.2582 94 E 4.2074 7.7206 119.5007 59.5432 30.2675 177.6219 95 A 4.1290 9.4306 120.8774 53.2681 18.3550 177.9442 96 G 4.3897 7.4657 115.8173 45.8471 0.0000 173.5569 97 V 4.0760 7.3688 128.2517 61.5100 31.0844 174.7609 98 E 5.0654 9.1610 118.6930 54.6751 24.7999 177.3756 99 E 4.3611 8.7202 125.1606 54.3878 30.6268 174.9519 100 A 4.9512 7.8373 125.0451 49.8013 21.4599 176.4359 101 V 3.9622 7.9204 119.7780 61.1843 33.0698 176.1127 102 L 4.4060 8.4075 122.7713 55.1215 42.9670 176.7115 103 D 4.5451 8.3746 119.4513 52.2533 42.6741 175.6073 104 I 3.7664 8.5640 121.6223 62.0253 37.2198 179.3849 105 G 3.6799 10.1430 106.2779 47.6026 0.0000 173.9223 106 L 4.0029 12.0000 125.7414 55.4788 45.2825 173.6611 107 N 3.6187 7.7490 125.4848 49.9795 43.5510 173.6914 108 S 4.2688 8.5225 114.2226 57.5468 64.2158 172.3206 109 P 3.4831 0.0000 0.0000 62.3793 30.9935 175.0663 110 T 3.8504 12.0000 114.1166 61.0901 68.4916 172.3394 111 P 4.6153 0.0000 0.0000 65.5865 33.0042 177.8508 *114 K 4.2671 8.1481 113.9656 56.3003 34.3176 180.5333 115 V 2.4806 9.3561 122.8736 62.8815 34.6072 177.6005 116 F 4.9230 5.5049 118.1454 60.9304 39.4020 176.3876 117 A 4.0760 10.1402 115.0538 55.0855 18.0288 180.5400 118 I 3.2664 8.4759 119.7054 62.8813 39.9839 175.4093 119 Q 3.4426 8.8157 115.5203 58.1084 28.6627 180.4541 120 E 3.8706 9.6564 119.4311 59.9314 29.6791 180.5881 121 G 3.4568 9.2274 99.7551 46.3420 0.0000 175.9763 122 A 3.4961 7.5558 119.0431 54.0449 19.0388 180.5315 123 I 2.8505 7.9707 110.8277 62.3884 38.0399 177.0340 124 D 4.8726 7.5697 124.8585 58.0726 41.7004 178.7946 125 A 4.1153 10.2321 119.9133 52.7584 18.1925 179.3683 126 G 3.9575 9.3892 104.8231 45.6531 0.0000 174.9088 127 L 4.3877 7.8367 122.5396 55.0016 40.6499 174.9436 128 D 4.3035 6.3784 121.7513 50.4388 43.2844 177.1964 129 I 3.7608 8.0148 121.2450 62.5028 38.1155 173.9832 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 9 P 0.00 4.35 0.00 2.16 2.17 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.96 0.00 10 M 8.92 4.09 0.00 2.21 1.97 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.65 0.00 11 R 8.22 3.41 0.00 1.95 2.09 0.00 3.01 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 12 R 8.37 4.60 0.00 2.00 2.06 0.00 2.21 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.44 0.00 13 R 7.89 4.75 0.00 1.73 2.06 0.00 3.19 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 14 R 7.91 4.67 0.00 1.89 1.96 0.00 3.37 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 15 E 8.67 3.74 0.00 1.95 1.72 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 2.30 2.31 0.00 16 A 10.16 4.85 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 17 R 8.66 4.51 0.00 1.84 2.41 0.00 3.44 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 18 T 7.35 4.19 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 1.41 0.00 0.00 19 D 9.10 4.33 0.00 2.86 2.51 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 20 Y 8.54 3.97 0.00 3.18 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 21 H 6.49 3.83 0.00 2.52 3.15 0.00 5.64 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 10.12 4.15 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.84 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 23 R 8.71 4.20 0.00 1.85 2.20 0.00 3.16 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 24 L 7.94 4.01 0.00 1.72 1.68 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.91 3.84 0.00 1.74 2.04 0.00 3.23 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 26 L 7.91 4.15 0.00 1.85 1.69 0.95 0.47 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 27 L 8.05 3.80 0.00 1.64 1.98 0.92 0.47 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 28 K 7.01 4.53 0.00 1.72 1.73 0.00 1.90 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.43 7.81 29 S 7.67 4.47 0.00 3.78 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 30 G 9.36 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 0.00 0.00 0.00 0.00 31 K 7.87 4.34 0.00 1.80 1.89 0.00 1.07 0.00 0.00 1.56 0.00 0.00 3.04 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.09 0.96 7.81 32 P 0.00 4.89 0.00 2.11 2.20 0.00 3.94 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 2.11 1.86 0.00 33 R 9.17 4.20 0.00 1.85 1.97 0.00 3.33 0.00 0.00 3.22 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 34 L 7.31 3.82 0.00 1.61 1.83 0.91 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 35 V 12.00 4.38 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 0.99 0.00 0.00 0.88 0.00 0.00 36 A 8.77 4.94 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 0.00 0.00 0.00 0.00 0.00 0.00 37 R 9.05 4.27 0.00 1.87 1.88 0.00 3.25 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 38 K 8.31 4.82 0.00 1.71 1.75 0.00 1.57 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.42 7.81 39 S 8.74 4.43 0.00 3.91 3.84 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 0.00 0.00 0.00 40 N 8.97 3.50 0.00 2.85 2.59 0.00 0.00 6.76 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 41 K 6.92 4.61 0.00 1.67 1.66 0.00 0.61 0.00 0.00 1.70 0.00 0.00 3.24 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.38 1.40 7.81 42 H 12.00 4.55 0.00 3.53 3.55 0.00 5.45 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 43 V 7.50 4.78 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 0.99 0.00 0.00 0.94 0.00 0.00 44 R 9.77 4.60 0.00 1.66 1.77 0.00 3.11 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 45 A 8.11 5.09 1.13 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 0.00 0.00 46 Q 8.22 4.58 0.00 1.93 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.26 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 47 L 7.83 4.51 0.00 1.47 1.56 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.46 4.79 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 1.17 0.00 0.00 0.94 0.00 0.00 49 T 8.70 4.65 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 1.26 0.00 0.00 *52 P 0.00 3.89 0.00 2.07 2.02 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.08 0.00 53 N 9.31 3.65 0.00 2.93 3.24 0.00 0.00 5.94 7.30 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 54 G 7.53 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 0.00 0.00 0.00 55 D 9.12 4.93 0.00 2.72 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 56 D 7.43 4.45 0.00 2.62 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 0.00 0.00 0.00 57 T 8.85 4.17 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 1.34 0.00 0.00 58 L 8.59 4.41 0.00 1.73 1.68 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 59 A 6.96 3.86 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 60 S 7.79 4.24 0.00 4.03 4.16 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 61 A 7.62 4.67 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 62 H 8.36 5.10 0.00 3.58 3.16 0.00 5.82 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 63 S 8.42 4.30 0.00 4.05 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 64 S 8.19 4.19 0.00 3.93 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 65 D 6.88 4.42 0.00 2.92 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 66 L 7.62 4.40 0.00 1.69 1.53 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.58 3.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.25 5.38 0.00 1.93 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 2.25 2.26 0.00 69 Y 7.23 2.92 0.00 2.68 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 0.00 0.00 0.00 70 G 7.02 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 71 W 8.15 5.12 0.00 3.25 3.05 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 72 E 8.05 3.44 0.00 2.12 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 2.30 2.42 0.00 *74 P 0.00 4.41 0.00 2.27 1.60 0.00 3.70 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 75 T 9.59 4.07 4.46 0.00 0.00 0.00 0.00 0.00 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 76 G 8.82 3.62 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 0.00 0.00 0.00 *80 S 7.15 4.24 0.00 4.04 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 81 A 8.17 2.98 1.14 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 0.00 0.00 82 Y 7.54 3.73 0.00 3.50 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 83 L 9.53 4.36 0.00 1.72 1.55 1.11 0.65 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 84 T 7.99 3.81 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 1.24 0.00 0.00 85 G 8.35 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 86 L 7.71 3.17 0.00 1.88 1.54 0.98 0.62 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 87 L 7.27 3.45 0.00 1.76 1.60 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.26 4.48 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 89 G 8.76 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 0.00 0.00 0.00 90 L 9.89 3.97 0.00 1.79 1.76 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.04 4.05 0.00 1.89 2.16 0.00 3.21 0.00 0.00 3.49 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 92 A 8.16 4.09 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 93 Q 7.84 4.04 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.82 0.00 94 E 7.72 4.21 0.00 2.10 2.31 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 2.21 2.67 0.00 95 A 9.43 4.13 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 96 G 7.47 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 0.00 0.00 0.00 0.00 97 V 7.37 4.08 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 0.86 0.00 0.00 0.94 0.00 0.00 98 E 9.16 5.07 0.00 2.21 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 2.07 2.07 0.00 99 E 8.72 4.36 0.00 1.97 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 2.24 2.23 0.00 100 A 7.84 4.95 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 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.92 3.96 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 0.80 0.00 0.00 0.93 0.00 0.00 102 L 8.41 4.41 0.00 1.53 1.63 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.37 4.55 0.00 2.69 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 8.56 3.77 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.64 0.88 0.00 0.00 105 G 10.14 3.68 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 0.00 0.00 0.00 106 L 12.00 4.00 0.00 1.58 1.37 0.95 1.04 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 0.00 107 N 7.75 3.62 0.00 2.68 2.72 0.00 0.00 6.85 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 0.00 108 S 8.52 4.27 0.00 4.01 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 0.00 109 P 0.00 3.48 0.00 1.21 1.35 0.00 3.60 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 110 T 12.00 3.85 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 1.14 0.00 0.00 111 P 0.00 4.62 0.00 2.15 2.20 0.00 3.83 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 2.10 2.25 0.00 *114 K 8.15 4.27 0.00 1.80 1.27 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.44 7.81 115 V 9.36 2.48 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 0.70 0.00 0.00 0.79 0.00 0.00 116 F 5.50 4.92 0.00 3.37 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 10.14 4.08 1.11 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 0.00 0.00 0.00 0.00 0.00 118 I 8.48 3.27 1.84 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 1.61 1.53 0.94 0.00 0.00 119 Q 8.82 3.44 0.00 2.53 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.27 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 120 E 9.66 3.87 0.00 1.95 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 2.08 2.37 0.00 121 G 9.23 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.56 3.50 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 0.00 123 I 7.97 2.85 2.05 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 1.65 0.82 0.93 0.00 0.00 124 D 7.57 4.87 0.00 2.81 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 0.00 125 A 10.23 4.12 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 0.00 126 G 9.39 3.96 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 0.00 0.00 0.00 127 L 7.84 4.39 0.00 1.59 1.62 0.93 1.69 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 0.00 128 D 6.38 4.30 0.00 3.58 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 0.00 129 I 8.01 3.76 1.88 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 1.55 0.51 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.