NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.1873 8.2229 123.5821 52.1628 20.5175 175.9016 10 S 4.5817 7.8905 112.2908 58.6842 62.0924 175.6815 11 N 4.6848 7.9100 116.5212 52.6000 40.9396 174.7212 *12 W 4.5123 7.9562 124.7552 54.9317 28.3886 176.5427 13 R 4.5714 8.0819 122.5747 55.3376 33.1527 172.1254 14 L 4.8603 8.2184 126.2829 53.2738 47.7964 174.9305 15 V 4.2815 7.8656 122.0206 62.7005 36.7665 178.3658 16 E 4.7036 7.6827 121.5031 56.5978 32.0591 177.1320 17 V 4.4029 8.6359 107.1985 59.5894 32.1462 170.6788 18 G 3.3293 8.3933 115.2345 44.5943 0.0000 172.4470 19 R 4.8412 8.6544 124.9169 57.4980 31.8652 177.6353 20 V 4.1325 9.2628 120.7145 61.0045 29.0278 171.4515 21 V 5.1735 7.7498 119.5806 59.9622 35.1659 177.3462 22 L 5.3122 8.7935 129.4498 53.9548 44.3603 172.3241 23 I 4.0600 8.0359 111.5975 64.1730 41.7499 167.0979 24 K 5.3912 7.9455 122.6239 56.2965 31.9621 174.0253 25 K 4.5343 8.4265 119.8142 55.8856 30.6054 174.8980 26 G 3.7969 7.7893 107.5241 50.2015 0.0000 173.3931 27 Q 3.4757 7.1855 115.0702 54.2558 31.9299 173.8465 28 S 4.7365 9.7705 105.4615 57.6666 62.6570 171.2063 29 A 4.4645 6.9021 129.7565 51.9383 20.5363 177.5691 30 G 4.0363 7.5799 114.5831 44.0664 0.0000 172.6635 31 K 4.0850 9.1175 132.0565 54.1374 31.5339 174.9243 32 L 4.5422 8.4261 123.5314 52.6233 40.3049 174.0811 33 A 4.9665 8.1942 125.2050 49.7495 21.9068 175.3823 34 A 5.5033 8.2126 124.1034 50.0059 23.0305 175.1165 35 I 4.3717 8.4187 118.5972 61.9212 36.5233 170.2240 36 V 4.0300 8.1785 125.8171 61.7791 33.0666 176.6107 37 E 4.3932 9.2690 124.8000 57.2547 32.4519 176.6533 38 I 4.6281 7.7894 114.0616 62.1741 39.5838 170.3548 39 I 4.6023 7.8228 111.9249 61.4375 36.1470 171.8403 40 D 4.5418 8.3081 123.4762 54.2693 39.6756 176.7153 41 Q 4.7500 8.5315 116.9004 55.1404 29.6411 178.6171 42 K 4.6207 8.4407 119.8225 54.0896 35.1229 179.0730 43 K 5.0308 7.6719 124.8149 56.2484 33.9095 180.3895 44 V 4.1740 7.4804 120.2813 61.3097 33.0028 178.4611 45 L 4.8361 8.0999 114.8844 55.3650 41.4468 173.2131 46 I 5.0252 7.9008 130.7404 60.4206 32.8243 176.8751 47 D 4.9535 7.7679 125.3181 51.9893 42.2402 179.5991 48 G 3.8741 8.8076 114.4985 43.7991 0.0000 173.5436 49 P 4.2379 0.0000 0.0000 65.7847 30.8214 178.4554 50 K 4.1696 8.3808 118.0114 55.9393 31.8188 179.3601 51 A 4.6141 8.2059 117.9992 50.3677 20.2636 175.9149 52 G 4.5809 7.6631 111.8633 46.7218 0.0000 173.6149 53 V 4.1866 8.2264 121.1221 59.4750 36.1142 168.7009 54 P 4.9074 0.0000 0.0000 60.7321 30.3723 173.1962 55 R 4.4671 8.5605 119.1297 61.1201 32.9648 173.3047 56 Q 4.1816 8.5396 113.8815 56.3717 27.4398 170.6921 57 A 4.9596 7.9312 118.7475 51.9648 18.0328 176.3045 58 I 3.5937 7.4111 122.6409 61.2085 36.3956 177.9709 59 N 4.6432 8.2568 124.0608 52.7054 39.7979 175.9788 60 L 4.7439 7.8989 119.3588 55.7525 39.7267 176.1351 61 G 3.9697 7.8052 110.2521 45.6879 0.0000 170.6022 62 Q 4.6047 8.4034 121.4785 54.7970 25.9713 180.7020 63 V 4.1203 8.3471 117.7547 61.4019 31.4881 178.8110 64 V 4.6936 9.2775 118.7839 61.9567 32.8856 170.4886 65 L 3.7522 7.9582 120.7118 57.1573 38.2741 178.1730 66 T 4.1644 7.0437 114.6074 58.5306 72.7941 174.4659 67 P 4.5284 0.0000 0.0000 65.6827 29.9084 180.4106 68 L 4.5254 8.8518 124.8744 56.5887 41.9512 177.3868 69 T 4.3543 8.6828 108.6297 63.0472 72.3042 170.4695 *70 F 3.1379 9.4012 117.8493 58.2121 37.7153 179.0081 71 A 3.6536 8.7363 121.6527 54.9823 18.3119 180.7222 72 L 4.2834 6.0475 122.1848 58.4496 42.4796 179.4667 73 P 4.3777 0.0000 0.0000 66.8696 30.1543 181.4662 74 R 4.3572 7.7787 122.6222 61.0215 30.3599 179.5833 75 G 4.2345 8.8145 104.5816 44.6752 0.0000 173.4718 76 A 4.7358 8.6361 126.4431 54.1481 26.2178 180.7436 77 R 4.2489 8.1140 110.7749 58.0686 28.9430 179.4345 78 T 4.6706 8.6127 108.8989 62.5401 74.7391 179.1958 79 A 4.3356 8.0486 122.3830 55.0069 17.8536 177.9088 80 T 4.8578 7.3996 110.5845 62.8771 76.4400 183.4098 81 V 3.9551 7.6245 119.1839 59.9693 30.6387 185.0000 82 S 3.2558 8.9518 114.0630 60.3238 63.3130 174.6235 83 K 4.7358 7.3371 130.8459 60.3029 32.6414 180.9281 84 K 4.4325 8.6287 127.3429 59.8031 31.3952 182.0790 *85 W 4.5142 8.7083 119.0435 58.9702 28.2169 179.8045 86 A 4.9406 8.5831 122.6368 52.6678 19.6195 178.0838 87 A 4.3575 7.7023 128.6973 52.7923 20.0403 176.9174 88 A 4.0790 8.4568 117.9979 53.5489 18.5455 177.2733 89 A 3.5286 8.3420 119.7883 53.2501 18.2691 182.1887 90 V 3.1147 6.8573 111.4091 63.0491 34.1365 181.1815 91 C 4.2177 9.4538 119.3800 61.2871 28.0947 178.3689 92 E 4.2794 8.1631 115.5575 57.3913 29.3952 179.8510 93 K 4.3342 9.5174 123.0867 57.9193 33.0898 185.0000 *94 W 4.2179 7.7976 119.1553 59.1418 28.5348 180.1041 95 A 3.9399 7.7740 121.7250 55.1581 17.8808 179.3479 96 A 3.9248 8.2310 120.5589 55.1101 18.9234 179.4716 97 S 4.4250 8.3498 115.1749 61.0539 63.0107 182.8130 98 S 4.5896 7.9518 115.3081 58.9953 61.6275 178.1030 *99 W 4.1712 8.1751 121.7721 60.4931 27.9637 181.5868 100 A 4.2529 8.6189 129.5092 52.6462 15.8403 177.0457 101 K 4.6393 7.9276 125.8484 52.8016 35.4310 177.7789 102 K 4.2551 8.6596 116.3588 57.4835 31.0918 171.8116 103 I 4.0202 6.7455 119.7553 60.4536 34.4738 178.1176 104 A 4.2699 7.9964 135.0000 52.4952 24.2089 178.4206 105 Q 4.6482 8.3390 113.5304 55.1876 28.3126 179.7502 106 R 4.7266 7.9336 123.0070 60.7437 31.4439 180.7646 107 E 4.2683 8.6808 119.2941 61.2457 29.5534 185.0000 108 R 4.1707 7.9667 121.8755 62.5798 29.8002 181.0525 109 R 4.0813 7.7125 121.1050 60.9638 29.2488 180.5699 110 A 4.2992 8.5572 120.9564 54.4485 18.5357 179.2974 111 A 4.1190 8.6854 119.8978 54.5590 17.8790 180.2721 112 L 3.8511 5.8957 126.3139 59.6949 42.3077 181.3100 113 T 4.1318 9.0058 118.2286 66.8657 68.1456 178.6733 114 D 4.6668 9.3590 125.3271 59.2551 39.7857 181.7604 *115 F 4.2566 8.4390 124.7023 62.0953 37.4027 179.6765 116 E 4.3462 8.1557 118.0808 61.8519 30.0124 184.4921 117 R 4.4150 8.3263 123.6031 61.4756 29.3845 180.4014 *118 F 4.2390 7.9903 120.1473 63.4458 37.5091 182.9989 119 Q 4.2822 8.5232 120.8692 61.7129 27.9038 181.5495 120 V 3.8991 7.6383 120.9703 67.8902 31.4604 181.1021 121 M 4.3721 8.4959 121.4300 60.2738 31.4089 181.7843 122 V 3.9080 8.3351 122.5252 67.0325 31.3446 180.1560 123 L 4.2983 8.9750 125.3479 59.6879 40.4152 182.7377 124 R 4.3958 7.8640 123.4294 61.2958 30.7414 180.9152 125 K 4.5378 8.0558 124.8784 52.9629 29.9104 179.9721 126 Q 5.2923 8.3788 130.7306 55.9722 27.4849 175.8313 127 K 4.2281 5.6600 122.6577 54.6892 31.0783 180.4243 128 R 4.2633 7.7106 122.1685 56.6279 30.0861 175.3986 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 A 8.22 4.19 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 10 S 7.89 4.58 0.00 3.80 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 11 N 7.91 4.68 0.00 2.58 2.67 0.00 0.00 6.74 7.96 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 *12 W 7.96 4.51 0.00 2.49 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 0.00 0.00 0.00 13 R 8.08 4.57 0.00 1.77 1.68 0.00 3.22 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.16 0.00 14 L 8.22 4.86 0.00 1.60 1.28 0.92 0.81 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 15 V 7.87 4.28 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 0.78 0.00 0.00 0.93 0.00 0.00 16 E 7.68 4.70 0.00 2.11 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 2.19 2.11 0.00 17 V 8.64 4.40 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 0.93 0.00 0.00 0.93 0.00 0.00 18 G 8.39 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 0.00 0.00 0.00 19 R 8.65 4.84 0.00 1.86 1.92 0.00 3.22 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.91 0.00 20 V 9.26 4.13 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 0.81 0.00 0.00 0.93 0.00 0.00 21 V 7.75 5.17 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 0.83 0.00 0.00 0.93 0.00 0.00 22 L 8.79 5.31 0.00 1.64 1.50 0.92 0.84 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 23 I 8.04 4.06 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 1.27 0.31 0.91 0.00 0.00 24 K 7.95 5.39 0.00 1.77 1.21 0.00 1.86 0.00 0.00 1.82 0.00 0.00 3.11 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.23 0.69 7.81 25 K 8.43 4.53 0.00 1.76 1.63 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.05 7.81 26 G 7.79 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 0.00 0.00 0.00 27 Q 7.19 3.48 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 7.42 0.00 0.00 0.00 0.00 0.00 2.25 1.96 0.00 28 S 9.77 4.74 0.00 3.59 3.69 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 29 A 6.90 4.46 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 30 G 7.58 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 31 K 9.12 4.09 0.00 1.88 1.84 0.00 1.84 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.32 0.99 7.81 32 L 8.43 4.54 0.00 1.65 1.58 0.92 0.80 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 33 A 8.19 4.97 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 34 A 8.21 5.50 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.42 4.37 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 1.20 0.76 0.91 0.00 0.00 36 V 8.18 4.03 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 0.84 0.00 0.00 0.93 0.00 0.00 37 E 9.27 4.39 0.00 1.89 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 2.30 1.87 0.00 38 I 7.79 4.63 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 1.27 0.89 0.91 0.00 0.00 39 I 7.82 4.60 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 1.27 0.67 0.91 0.00 0.00 40 D 8.31 4.54 0.00 2.82 2.42 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 41 Q 8.53 4.75 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.80 0.00 0.00 0.00 0.00 0.00 2.16 1.88 0.00 42 K 8.44 4.62 0.00 1.74 1.65 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.27 1.22 7.81 43 K 7.67 5.03 0.00 1.77 1.64 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.11 0.77 7.81 44 V 7.48 4.17 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 1.07 0.00 0.00 0.93 0.00 0.00 45 L 8.10 4.84 0.00 1.26 1.52 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.90 5.03 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 1.08 1.51 0.91 0.00 0.00 47 D 7.77 4.95 0.00 2.43 2.45 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 48 G 8.81 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 49 P 0.00 4.24 0.00 2.10 2.01 0.00 3.74 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 1.95 1.64 0.00 50 K 8.38 4.17 0.00 1.77 1.74 0.00 1.61 0.00 0.00 2.37 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 0.96 7.81 51 A 8.21 4.61 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 52 G 7.66 4.58 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 0.00 0.00 0.00 53 V 8.23 4.19 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 0.66 0.00 0.00 0.93 0.00 0.00 54 P 0.00 4.91 0.00 2.08 1.64 0.00 3.82 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 1.95 1.62 0.00 55 R 8.56 4.47 0.00 1.84 1.43 0.00 3.19 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.95 0.00 56 Q 8.54 4.18 0.00 2.02 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.98 0.00 0.00 0.00 0.00 0.00 2.20 1.85 0.00 57 A 7.93 4.96 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 58 I 7.41 3.59 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 1.27 0.73 0.91 0.00 0.00 59 N 8.26 4.64 0.00 2.85 2.70 0.00 0.00 6.64 7.79 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 60 L 7.90 4.74 0.00 1.74 1.85 0.92 0.87 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 61 G 7.81 3.97 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 0.00 0.00 0.00 62 Q 8.40 4.60 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.08 1.69 0.00 63 V 8.35 4.12 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 0.86 0.00 0.00 0.93 0.00 0.00 64 V 9.28 4.69 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 0.79 0.00 0.00 0.93 0.00 0.00 65 L 7.96 3.75 0.00 1.70 1.62 0.92 0.80 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 66 T 7.04 4.16 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 67 P 0.00 4.53 0.00 2.08 1.19 0.00 3.71 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 1.95 1.62 0.00 68 L 8.85 4.53 0.00 1.66 1.46 0.92 0.68 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 69 T 8.68 4.35 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 *70 F 9.40 3.14 0.00 2.27 2.27 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 71 A 8.74 3.65 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 72 L 6.05 4.28 0.00 1.81 1.55 0.92 0.84 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 73 P 0.00 4.38 0.00 2.07 1.92 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.67 0.00 74 R 7.78 4.36 0.00 1.91 1.86 0.00 3.23 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.33 0.00 75 G 8.81 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 0.00 0.00 0.00 0.00 76 A 8.64 4.74 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 77 R 8.11 4.25 0.00 1.84 1.83 0.00 3.30 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00 78 T 8.61 4.67 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 79 A 8.05 4.34 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 80 T 7.40 4.86 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 81 V 7.62 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 0.67 0.00 0.00 0.93 0.00 0.00 82 S 8.95 3.26 0.00 3.72 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 83 K 7.34 4.74 0.00 1.86 1.68 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.13 7.81 84 K 8.63 4.43 0.00 1.77 1.86 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.33 7.81 *85 W 8.71 4.51 0.00 2.45 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 86 A 8.58 4.94 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 87 A 7.70 4.36 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 88 A 8.46 4.08 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 89 A 8.34 3.53 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 90 V 6.86 3.11 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 0.72 0.00 0.00 0.93 0.00 0.00 91 C 9.45 4.22 0.00 2.70 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 E 8.16 4.28 0.00 1.98 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 2.23 1.87 0.00 93 K 9.52 4.33 0.00 1.68 1.79 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.24 7.81 *94 W 7.80 4.22 0.00 2.56 2.33 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 95 A 7.77 3.94 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 96 A 8.23 3.92 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 97 S 8.35 4.43 0.00 3.65 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 98 S 7.95 4.59 0.00 3.63 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 *99 W 8.18 4.17 0.00 2.51 2.24 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 0.00 100 A 8.62 4.25 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 0.00 101 K 7.93 4.64 0.00 1.66 1.69 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 0.96 7.81 102 K 8.66 4.26 0.00 1.68 1.81 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.00 7.81 103 I 6.75 4.02 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 1.23 1.09 0.91 0.00 0.00 104 A 8.00 4.27 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 0.00 105 Q 8.34 4.65 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.79 0.00 0.00 0.00 0.00 0.00 2.17 1.88 0.00 106 R 7.93 4.73 0.00 1.77 1.91 0.00 3.22 0.00 0.00 3.37 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.21 0.00 107 E 8.68 4.27 0.00 1.97 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 2.31 1.95 0.00 108 R 7.97 4.17 0.00 1.81 1.99 0.00 3.23 0.00 0.00 3.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.32 0.00 109 R 7.71 4.08 0.00 1.99 1.93 0.00 3.28 0.00 0.00 3.17 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 110 A 8.56 4.30 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 0.00 111 A 8.69 4.12 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 0.00 112 L 5.90 3.85 0.00 1.78 1.61 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 113 T 9.01 4.13 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 0.00 114 D 9.36 4.67 0.00 2.64 2.72 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 *115 F 8.44 4.26 0.00 2.27 2.36 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 0.00 116 E 8.16 4.35 0.00 1.99 1.97 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 2.22 2.18 0.00 117 R 8.33 4.42 0.00 1.80 1.97 0.00 3.26 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 *118 F 7.99 4.24 0.00 2.12 2.16 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 0.00 119 Q 8.52 4.28 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.02 0.00 120 V 7.64 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 0.71 0.00 0.00 0.93 0.00 0.00 121 M 8.50 4.37 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 122 V 8.34 3.91 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 0.90 0.00 0.00 0.93 0.00 0.00 123 L 8.98 4.30 0.00 1.59 1.64 0.92 0.12 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 0.00 124 R 7.86 4.40 0.00 1.93 1.92 0.00 3.24 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 125 K 8.06 4.54 0.00 1.77 1.68 0.00 1.94 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.27 7.81 126 Q 8.38 5.29 0.00 2.18 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.38 0.00 0.00 0.00 0.00 0.00 2.05 1.65 0.00 127 K 5.66 4.23 0.00 1.94 1.69 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.40 1.28 7.81 128 R 7.71 4.26 0.00 1.76 1.64 0.00 3.26 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.11 0.00 * Residues marked with a * may have inaccurate shift predictions.