NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3322 0.0000 0.0000 62.1005 32.2752 175.8953 3 K 3.7717 8.9231 124.0783 55.3796 30.7425 172.9925 4 K 4.2787 7.6328 122.5605 53.8116 34.2512 174.1959 5 V 5.0176 8.3871 126.7598 61.4459 34.6638 174.2337 6 L 4.7026 8.5866 122.5705 53.6102 46.5288 174.9391 7 T 5.1323 8.0831 118.0868 62.0090 71.1876 173.5292 8 G 4.5135 8.7419 111.7782 46.6877 0.0000 171.7913 9 V 4.6444 7.9606 119.8684 61.1753 33.3112 174.9110 10 V 4.0861 8.7280 128.6930 64.1099 31.8151 176.3685 11 V 4.4246 9.2685 121.9934 61.4663 33.2352 176.1873 12 S 4.6588 7.8537 115.8692 56.5020 65.4305 173.5581 13 D 4.9672 8.9258 125.3485 53.3001 39.6171 176.2001 14 K 4.5372 7.7226 118.5339 57.1071 32.6672 176.3462 15 M 4.7305 7.6866 116.6538 53.4078 35.4370 173.7692 16 Q 4.1149 8.6548 123.9439 57.1593 28.7907 175.9924 17 K 4.2273 9.8906 122.1063 57.0919 30.1745 175.6620 18 T 5.3021 7.6264 113.7994 62.4010 72.9544 173.8044 19 V 4.9145 8.5715 116.4105 58.7578 36.3696 174.9085 20 T 4.5504 8.5250 121.1083 63.3147 69.9696 173.6423 21 V 4.5768 9.2772 128.3392 60.6160 33.6853 174.4180 22 L 4.3795 8.7536 131.8890 55.2070 43.5117 176.1184 23 V 4.5534 8.9800 125.5175 61.0643 34.0734 174.4889 24 E 4.8927 8.8313 127.6503 56.6275 30.3220 176.9676 25 R 4.6045 8.9353 116.7360 55.6130 33.1063 174.5316 26 Q 4.8610 8.8774 122.0966 53.9081 31.2946 174.4734 27 F 4.7742 7.8874 111.7439 55.5633 40.1861 171.4846 28 P 4.6174 0.0000 0.0000 62.8018 32.0503 175.7560 29 H 4.0780 10.0819 125.8677 55.1937 30.1102 174.2068 30 P 4.3727 0.0000 0.0000 65.2110 30.9489 176.5742 31 L 4.5938 7.9438 116.6283 54.7061 43.8614 176.0630 32 Y 5.0573 8.0647 114.3704 56.9274 39.7659 178.4120 33 G 3.5757 8.5304 112.3559 46.8065 0.0000 177.6382 34 K 4.4442 9.0207 121.0896 56.6376 29.9496 172.2643 35 V 3.5090 7.7440 126.4902 61.9116 32.0357 175.2273 36 I 4.5419 8.2644 118.9623 58.7738 40.2006 174.9479 37 K 4.2539 8.7231 126.3078 56.7397 33.0023 175.8849 38 R 4.8263 8.3410 122.2613 56.0167 34.3705 173.0390 39 S 5.1703 8.2393 113.6607 57.8476 65.3946 174.4235 40 K 4.6748 8.8301 120.7604 54.9634 35.9280 174.7492 41 K 5.0394 8.4425 123.8181 55.2441 33.9494 175.4642 42 Y 4.5485 8.7969 120.6245 56.0951 41.6641 174.5660 43 L 5.1774 8.5438 122.2333 53.3170 43.8717 175.0651 44 A 5.7314 9.0164 126.4213 49.2460 22.2914 174.9708 45 H 4.5904 8.8408 121.7283 55.8746 31.1968 174.6937 46 D 5.1282 9.1682 125.0745 51.4945 41.0377 173.6982 47 P 4.2780 0.0000 0.0000 65.8929 31.2833 177.9622 48 E 4.1758 8.2126 115.6383 55.7575 29.7783 176.9544 49 E 4.0583 8.8752 117.4639 56.7227 27.9664 175.4230 50 K 3.8976 7.7617 116.6569 58.3119 32.7951 176.3270 51 Y 4.5239 8.4357 119.6723 56.2866 38.1933 175.7597 52 K 4.6549 9.0805 125.7435 55.1293 34.2662 175.7670 53 L 4.1667 8.2018 121.3818 56.5171 42.1127 176.3339 54 G 4.1294 8.7731 113.9960 45.2248 0.0000 172.9428 55 D 4.6784 7.9370 120.9250 54.7987 42.0979 175.6886 56 V 4.4154 8.7176 123.3673 62.1457 33.2250 175.1560 57 V 4.9128 8.7950 119.7386 59.9937 36.7660 173.5408 58 E 4.7154 8.9345 122.7153 55.7796 31.2859 175.5521 59 I 4.7593 9.2556 125.9805 59.5219 40.1227 174.3937 60 I 4.5744 8.9939 128.4427 59.2518 39.8373 174.2828 61 E 2.9771 9.0314 130.6309 56.8570 29.7811 175.9519 62 S 4.7737 7.9755 122.0326 55.9688 67.0515 173.9929 63 R 3.8822 8.4083 120.7238 55.4610 30.3085 174.0076 64 P 4.3536 0.0000 0.0000 63.4592 31.4583 176.3588 65 I 3.9655 8.4153 125.4106 63.5230 37.4962 176.0055 66 S 4.4669 7.6067 111.5654 56.9854 64.9106 175.0001 67 K 3.7588 8.1802 121.9708 57.5760 32.1455 177.6549 68 R 3.7689 8.6651 119.4290 56.7633 29.8516 176.0023 69 K 4.7510 8.0590 117.5078 54.0627 32.5787 175.0852 70 R 4.9387 8.6114 122.5670 55.2402 32.7818 174.4727 71 F 5.7575 8.1726 117.1066 55.4722 43.5284 173.9306 72 R 4.7532 9.0693 122.5936 54.6857 32.3126 176.0439 73 V 3.3530 7.9308 122.3002 63.2344 31.1888 175.3143 74 L 4.2668 8.9962 133.3399 56.6768 41.6666 177.3924 75 R 5.2901 7.3431 111.8922 55.0041 33.5288 173.1286 76 L 4.7366 8.6112 121.1841 55.1571 42.4582 176.2173 77 V 4.5106 9.1322 122.3191 61.8678 34.1802 175.6539 78 E 5.2777 7.6243 121.1984 56.0463 30.9037 176.7706 79 S 4.8587 8.1464 118.2108 56.9503 64.1192 173.0574 80 G 4.0239 8.5308 108.1661 47.2262 0.0000 173.8679 81 R 4.8246 7.5230 110.7868 55.2288 30.9714 178.2847 82 M 4.2098 8.2320 118.8659 57.9495 31.8933 177.6284 83 D 4.9875 8.0448 118.6554 56.2634 39.6346 178.3649 84 L 4.1244 8.0311 120.2906 57.6408 41.8043 179.0997 85 V 3.6923 7.9114 117.6612 66.5215 31.2869 177.5119 86 E 4.0657 9.6384 118.0930 60.1576 29.2578 178.7933 87 K 4.0350 8.5941 119.0404 58.8835 31.9718 178.4386 88 Y 4.1767 7.9214 117.7391 61.3002 39.0145 178.3572 89 L 3.2761 8.6336 120.8584 58.2515 42.3632 179.2991 90 I 3.5462 7.6615 119.4343 64.5292 36.8432 178.1771 91 R 3.6804 7.9440 118.2049 59.3496 30.0996 178.1660 92 R 3.1810 7.7902 118.6140 59.3278 29.7564 177.9376 93 Q 3.8299 8.5040 119.8642 59.7062 29.0076 178.7066 94 N 4.1555 7.9411 117.0536 56.4305 37.6645 176.4267 95 Y 4.3958 8.2422 118.4230 62.0033 37.7233 179.4441 96 E 4.2538 7.8040 118.8643 59.5197 29.6783 179.2565 97 S 4.6666 7.9010 110.2588 58.5375 63.1217 174.4454 98 L 4.5998 9.2203 121.0856 55.2721 43.2422 177.7917 99 S 4.6303 7.4018 116.3555 58.2453 63.8231 175.4300 100 K 4.2959 8.4051 114.7859 55.2647 31.5639 176.8219 *101 R 4.1415 7.9446 119.8349 56.1936 30.0213 176.0882 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 P 0.00 4.33 0.00 2.19 2.14 0.00 3.74 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 1.88 1.99 0.00 3 K 8.92 3.77 0.00 1.82 1.93 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.46 7.81 4 K 7.63 4.28 0.00 1.90 1.92 0.00 1.57 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.59 1.65 7.81 5 V 8.39 5.02 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 1.00 0.00 0.00 6 L 8.59 4.70 0.00 1.26 1.14 0.29 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.08 5.13 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 1.22 0.00 0.00 8 G 8.74 4.51 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 0.00 9 V 7.96 4.64 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 1.05 0.00 0.00 0.93 0.00 0.00 10 V 8.73 4.09 2.22 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 0.94 0.00 0.00 0.94 0.00 0.00 11 V 9.27 4.42 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 0.62 0.00 0.00 0.81 0.00 0.00 12 S 7.85 4.66 0.00 3.91 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 13 D 8.93 4.97 0.00 2.85 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 14 K 7.72 4.54 0.00 1.83 1.89 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.39 7.81 15 M 7.69 4.73 0.00 2.10 1.85 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 16 Q 8.65 4.11 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.30 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 17 K 9.89 4.23 0.00 2.05 2.04 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.44 7.81 18 T 7.63 5.30 4.27 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 1.30 0.00 0.00 19 V 8.57 4.91 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 1.19 0.00 0.00 0.91 0.00 0.00 20 T 8.52 4.55 4.31 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 1.12 0.00 0.00 21 V 9.28 4.58 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.86 0.00 0.00 22 L 8.75 4.38 0.00 1.52 1.41 0.87 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.98 4.55 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 0.81 0.00 0.00 0.75 0.00 0.00 24 E 8.83 4.89 0.00 1.90 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 0.00 2.33 2.31 0.00 25 R 8.94 4.60 0.00 1.91 2.00 0.00 2.91 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 26 Q 8.88 4.86 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.96 0.00 0.00 0.00 0.00 0.00 2.30 2.23 0.00 27 F 7.89 4.77 0.00 3.17 3.11 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 28 P 0.00 4.62 0.00 2.03 2.07 0.00 3.87 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 2.09 2.13 0.00 29 H 10.08 4.08 0.00 3.06 3.25 0.00 5.61 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.37 0.00 2.17 2.22 0.00 3.54 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.01 0.00 31 L 7.94 4.59 0.00 1.31 0.99 0.91 0.60 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 32 Y 8.06 5.06 0.00 2.57 2.67 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 33 G 8.53 3.58 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 34 K 9.02 4.44 0.00 1.79 2.22 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.42 7.81 35 V 7.74 3.51 2.04 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 0.87 0.00 0.00 0.92 0.00 0.00 36 I 8.26 4.54 1.73 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 0.38 0.07 0.88 0.00 0.00 37 K 8.72 4.25 0.00 1.68 1.81 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.44 7.81 38 R 8.34 4.83 0.00 2.15 1.92 0.00 3.46 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 39 S 8.24 5.17 0.00 3.90 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 40 K 8.83 4.67 0.00 1.81 1.78 0.00 1.22 0.00 0.00 0.96 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.84 1.18 7.81 41 K 8.44 5.04 0.00 1.57 1.60 0.00 1.44 0.00 0.00 1.22 0.00 0.00 2.69 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.17 1.34 7.81 42 Y 8.80 4.55 0.00 2.63 2.53 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 43 L 8.54 5.18 0.00 1.77 1.61 0.92 0.80 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 44 A 9.02 5.73 1.23 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 45 H 8.84 4.59 0.00 3.30 3.21 0.00 5.81 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 9.17 5.13 0.00 2.72 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.28 0.00 2.19 2.09 0.00 3.74 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.85 0.00 48 E 8.21 4.18 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 49 E 8.88 4.06 0.00 2.08 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 2.29 2.40 0.00 50 K 7.76 3.90 0.00 1.60 1.80 0.00 1.29 0.00 0.00 1.59 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 0.67 7.81 51 Y 8.44 4.52 0.00 3.34 2.95 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 52 K 9.08 4.65 0.00 1.88 1.97 0.00 1.48 0.00 0.00 1.53 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.86 1.52 7.81 53 L 8.20 4.17 0.00 1.79 1.66 1.03 1.18 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 54 G 8.77 4.13 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 0.00 55 D 7.94 4.68 0.00 2.72 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 56 V 8.72 4.42 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 0.96 0.00 0.00 0.94 0.00 0.00 57 V 8.79 4.91 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 0.63 0.00 0.00 0.89 0.00 0.00 58 E 8.93 4.72 0.00 1.91 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 2.27 2.27 0.00 59 I 9.26 4.76 1.75 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 0.96 1.01 0.89 0.00 0.00 60 I 8.99 4.57 1.87 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 1.07 1.38 0.98 0.00 0.00 61 E 9.03 2.98 0.00 1.89 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 0.00 2.03 1.75 0.00 62 S 7.98 4.77 0.00 3.69 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 63 R 8.41 3.88 0.00 1.73 1.80 0.00 3.42 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 64 P 0.00 4.35 0.00 2.06 2.02 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 65 I 8.42 3.97 1.83 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.36 0.66 0.00 0.00 66 S 7.61 4.47 0.00 3.90 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 67 K 8.18 3.76 0.00 1.80 1.75 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.46 7.81 68 R 8.67 3.77 0.00 1.94 2.01 0.00 3.24 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 69 K 8.06 4.75 0.00 1.87 1.91 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.35 1.51 7.81 70 R 8.61 4.94 0.00 2.00 1.82 0.00 3.22 0.00 0.00 3.38 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 71 F 8.17 5.76 0.00 2.90 2.95 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 72 R 9.07 4.75 0.00 1.74 1.84 0.00 3.14 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 73 V 7.93 3.35 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.78 0.00 0.00 0.70 0.00 0.00 74 L 9.00 4.27 0.00 1.66 1.63 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.34 5.29 0.00 1.95 2.04 0.00 3.20 0.00 0.00 3.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.52 0.00 76 L 8.61 4.74 0.00 1.87 1.68 1.09 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 77 V 9.13 4.51 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 0.87 0.00 0.00 0.94 0.00 0.00 78 E 7.62 5.28 0.00 2.22 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 0.00 2.13 2.07 0.00 79 S 8.15 4.86 0.00 3.86 3.83 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 80 G 8.53 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 81 R 7.52 4.82 0.00 2.12 1.96 0.00 3.39 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 82 M 8.23 4.21 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.57 0.00 83 D 8.04 4.99 0.00 2.83 2.82 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 84 L 8.03 4.12 0.00 1.89 1.77 0.93 0.64 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 85 V 7.91 3.69 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 1.15 0.00 0.00 1.00 0.00 0.00 86 E 9.64 4.07 0.00 2.24 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 87 K 8.59 4.03 0.00 2.02 1.79 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.75 1.61 7.81 88 Y 7.92 4.18 0.00 3.01 3.12 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 89 L 8.63 3.28 0.00 1.82 1.56 0.91 0.88 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 90 I 7.66 3.55 2.03 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 1.55 0.71 0.84 0.00 0.00 91 R 7.94 3.68 0.00 1.75 2.10 0.00 3.30 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.55 0.00 92 R 7.79 3.18 0.00 1.46 1.65 0.00 2.96 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 93 Q 8.50 3.83 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.52 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 94 N 7.94 4.16 0.00 2.80 2.75 0.00 0.00 6.96 7.35 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 95 Y 8.24 4.40 0.00 3.00 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 96 E 7.80 4.25 0.00 2.07 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 2.36 2.35 0.00 97 S 7.90 4.67 0.00 4.02 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 98 L 9.22 4.60 0.00 1.79 1.79 1.07 0.86 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 99 S 7.40 4.63 0.00 4.03 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 0.00 100 K 8.41 4.30 0.00 1.73 1.77 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.33 7.81 *101 R 7.94 4.14 0.00 1.57 1.74 0.00 3.23 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 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.