NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3943 8.0176 110.9451 60.7529 70.5703 174.7972 6 P 4.1555 0.0000 0.0000 65.3051 31.2994 177.5621 7 F 4.1551 9.1403 121.8819 60.9749 39.6970 177.6099 8 D 4.2625 8.2895 118.0112 57.3587 40.4895 178.8697 9 A 3.9496 7.5528 119.9389 55.0552 18.2291 179.3646 10 L 3.7803 7.4044 117.3830 58.0113 42.2108 178.5399 11 W 4.0412 8.1986 127.5875 60.6750 30.8326 177.6747 12 Q 4.1173 8.3340 117.9291 58.6970 28.1214 178.7391 13 R 3.9195 7.8206 115.4169 57.5746 29.8814 178.1515 *15 L 3.9303 7.8319 120.6045 54.6157 43.5514 178.9088 16 A 3.9670 7.7264 120.2604 55.2484 18.2451 178.7495 17 R 3.6343 6.7084 112.0634 57.2398 29.8917 177.7821 18 G 3.9327 8.1053 107.0066 44.6037 0.0000 173.9245 19 W 4.7044 7.4170 119.1404 56.9515 30.0847 175.4194 20 T 4.5481 8.3938 113.4266 59.5088 70.3306 172.5020 21 P 5.0069 0.0000 0.0000 62.7477 32.1901 176.0647 22 V 4.6046 8.6116 122.2262 60.1221 34.6619 174.6327 23 S 4.8442 8.4623 116.4339 56.0587 66.0592 174.4317 24 E 3.9759 8.8828 121.9786 59.7398 29.0430 179.3023 25 S 4.3038 8.1534 112.0098 60.4235 63.3027 175.2690 26 R 4.5815 7.8401 119.7472 55.2704 30.9554 176.9631 27 L 4.0214 7.6787 121.4662 58.5595 42.0010 178.4874 28 D 4.4080 8.2156 117.9746 57.6467 40.5704 178.4917 29 D 4.3620 8.0683 117.5770 57.0456 41.2438 178.2028 30 W 4.2356 8.4458 128.8541 60.4344 30.6839 177.8087 31 L 3.5804 8.7516 119.6087 58.1049 40.8876 179.7897 32 T 3.8633 7.9702 108.3579 63.7760 68.5486 175.3928 33 Q 4.4951 7.2189 118.2808 54.9685 30.3758 176.6835 34 A 4.4797 7.3892 122.8603 50.2784 20.3110 174.4603 35 P 4.3207 0.0000 0.0000 64.6588 33.0271 176.5828 36 D 5.2380 8.0174 120.9029 52.5715 42.6485 175.6072 37 G 4.8459 9.2208 110.5710 45.2971 0.0000 169.9128 38 V 5.1448 9.3134 118.6303 61.2026 35.4618 173.8664 39 V 4.5093 8.6287 127.0615 61.0214 34.1426 174.1241 40 L 4.4572 8.7548 129.2588 53.8499 43.1440 175.6328 41 L 4.6520 8.5726 125.0217 53.1254 43.3722 176.1262 42 S 5.0604 8.5337 118.8378 56.8721 66.5872 172.7041 43 S 4.9599 8.4364 116.2568 56.2536 67.0949 173.4241 44 D 4.3955 8.4935 120.1256 53.7482 41.1315 175.0630 45 P 4.5892 0.0000 0.0000 65.5722 31.8172 178.9376 46 K 4.0338 8.0627 117.5116 59.5622 32.1890 178.2665 47 R 3.9418 8.1694 117.1438 59.0156 30.1907 176.1665 48 T 4.4477 7.9178 113.7323 59.4190 68.2192 171.8630 49 P 4.6878 0.0000 0.0000 63.2395 31.2345 177.3534 50 E 4.2412 8.3557 120.7700 58.7439 29.8059 178.7763 51 V 3.7975 7.1132 115.6564 65.3155 31.6697 177.1115 52 S 4.4116 8.0119 114.5882 61.2548 63.3583 175.6120 53 D 4.5456 8.3480 120.5661 56.6448 40.4177 177.8638 54 N 4.2816 8.2339 116.5594 56.5995 39.0803 174.1350 55 P 4.5768 0.0000 0.0000 65.7545 31.0646 178.7755 56 V 3.3776 7.2793 112.9982 64.4048 32.0820 177.5088 *58 I 3.9752 7.9068 120.8032 60.9930 38.9305 178.0210 59 G 3.8999 8.2730 105.9905 48.0025 0.0000 175.3688 60 E 4.3569 8.1063 120.7350 59.2637 29.7834 178.8880 61 L 4.0411 8.2842 119.8303 58.4753 41.7841 178.9935 62 L 3.6116 7.8167 118.7425 57.8029 41.4361 178.6990 63 H 4.7409 7.8020 110.9310 56.9888 28.4946 176.1805 64 E 4.3849 7.9505 120.4219 57.0269 31.2497 176.4759 65 F 5.0539 8.6864 117.6885 55.1684 39.6488 173.7808 66 P 4.5460 0.0000 0.0000 65.4507 31.8418 178.0993 67 D 4.3503 8.3486 116.7777 56.2071 40.8500 175.7165 68 Y 4.3950 7.6026 115.7741 56.2707 41.1061 175.9887 69 T 4.3334 7.7423 117.3548 60.1504 66.2460 174.9454 70 W 4.9370 7.6727 121.6089 57.9800 30.4319 177.2771 71 Q 4.7078 9.2054 123.7155 54.4598 32.4776 173.5528 72 V 4.6709 8.6390 125.2448 61.1138 33.9196 174.0041 73 A 4.9033 8.9479 129.1543 49.7676 22.2921 174.8309 74 I 4.7954 8.3412 113.1581 58.9082 40.9691 174.1013 75 A 5.3762 8.4235 126.2584 50.0645 21.5524 176.8279 76 D 4.7939 8.6274 121.5294 52.4889 41.8510 177.2531 77 L 3.7555 7.7440 118.2198 58.1272 41.5444 179.6696 78 E 3.9457 7.9386 117.6557 59.6567 29.5726 179.3644 79 Q 4.0747 9.1553 118.3975 58.9016 28.6261 178.9291 80 S 4.2093 8.5155 116.8816 61.6632 62.7454 176.5852 81 E 4.1314 8.1529 120.8786 59.1523 29.2365 179.1261 82 A 3.9951 7.8623 120.4625 55.3079 18.3237 179.6163 83 I 3.8909 8.1527 117.4716 64.4485 37.5423 178.5786 84 G 3.9618 8.5819 106.8051 48.2067 0.0000 175.2232 85 D 4.1773 8.3279 122.2180 57.0851 40.6151 179.1369 86 R 3.9581 7.8380 117.7467 58.1723 30.1274 177.4264 87 F 4.5560 7.9807 114.9442 56.2757 39.6892 176.1657 88 G 3.7799 7.5601 105.0534 45.7986 0.0000 174.0591 89 A 4.3362 7.6331 122.5730 51.4460 17.6294 177.6172 90 F 4.5931 8.5930 120.7037 57.8168 39.6121 176.7712 91 R 4.4638 7.8796 121.2265 54.7430 30.6032 173.7419 92 F 5.2850 8.3210 122.2705 55.1215 40.8504 174.0589 93 P 4.6663 0.0000 0.0000 62.8846 32.5216 175.2546 94 A 5.1861 8.4556 123.3157 50.6653 23.4573 175.4108 95 T 4.7519 8.4960 115.1801 61.8370 72.5931 173.4826 96 L 4.6888 8.8005 127.8081 54.2257 43.3992 176.1717 97 V 4.8085 8.6489 123.6012 61.0979 34.2211 174.2233 98 F 5.4153 9.6061 125.8868 56.0673 42.7615 174.0729 99 T 4.7117 9.0874 119.9836 62.0459 72.0877 174.5628 100 G 3.9691 9.3536 115.4988 46.7627 0.0000 174.1625 101 G 3.9584 8.6181 103.9316 45.5920 0.0000 173.3792 102 N 5.0586 8.3003 117.9775 51.0206 40.7584 173.4393 103 Y 4.1146 8.7426 124.1394 57.5794 39.0504 175.2597 104 R 3.9585 9.0950 127.2631 55.6043 31.3460 177.2036 105 G 3.3828 5.3800 103.5378 44.6508 0.0000 170.5342 106 V 4.8390 7.4686 118.5666 59.9019 34.4672 175.1343 107 L 4.4870 8.9599 125.8036 53.7678 42.4627 175.4693 108 N 5.3572 8.7711 121.0354 52.0204 40.6856 175.2475 109 G 3.8014 8.4491 107.6059 44.6597 0.0000 172.1274 110 I 4.5053 7.7669 117.3215 59.3961 40.2754 174.3971 111 H 5.0185 8.5233 123.1468 52.9420 32.9261 171.3488 112 P 4.4718 0.0000 0.0000 62.4752 32.1312 177.3657 113 W 3.9054 9.1691 129.7687 60.9382 30.5667 178.2494 114 A 4.2842 8.3269 119.9696 55.0510 17.6920 178.4904 115 E 4.2650 7.9119 117.2174 57.0155 30.0174 177.9995 116 L 3.9758 7.4476 120.3292 58.0701 42.2501 177.9188 117 I 3.5179 6.9816 116.7664 64.1904 37.9484 177.0110 118 N 4.5930 7.7368 116.9366 55.6200 36.9237 177.6454 119 L 3.9783 7.1274 118.2306 54.9343 41.2408 177.9456 *121 R 4.5177 8.1661 121.6350 56.4682 31.5667 176.9865 122 G 3.8227 7.8898 104.0476 46.5977 0.0000 173.7232 123 L 4.3583 7.3418 118.2527 56.3099 43.0658 177.8361 124 V 4.1004 7.4075 109.0878 60.8573 31.6506 175.6858 125 E 4.4487 7.8862 126.6289 57.0403 29.3715 175.1891 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 5 T 8.02 4.39 4.29 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 1.24 0.00 0.00 6 P 0.00 4.16 0.00 2.45 2.39 0.00 3.77 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 2.18 2.14 0.00 7 F 9.14 4.16 0.00 3.11 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 8 D 8.29 4.26 0.00 2.99 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 9 A 7.55 3.95 1.41 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 0.00 0.00 10 L 7.40 3.78 0.00 1.61 1.63 0.91 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 11 W 8.20 4.04 0.00 2.84 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 12 Q 8.33 4.12 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.63 2.56 0.00 13 R 7.82 3.92 0.00 1.85 1.79 0.00 3.11 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 *15 L 7.83 3.93 0.00 1.66 1.58 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.73 3.97 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 17 R 6.71 3.63 0.00 0.67 0.91 0.00 2.21 0.00 0.00 2.95 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.73 0.00 18 G 8.11 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 0.00 0.00 0.00 19 W 7.42 4.70 0.00 3.10 2.84 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 20 T 8.39 4.55 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 1.33 0.00 0.00 21 P 0.00 5.01 0.00 2.10 2.46 0.00 3.64 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 2.12 1.98 0.00 22 V 8.61 4.60 1.55 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 0.46 0.00 0.00 0.77 0.00 0.00 23 S 8.46 4.84 0.00 4.00 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 24 E 8.88 3.98 0.00 2.05 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 2.44 2.36 0.00 25 S 8.15 4.30 0.00 4.08 4.01 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 26 R 7.84 4.58 0.00 1.89 2.01 0.00 3.18 0.00 0.00 3.14 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 27 L 7.68 4.02 0.00 1.94 1.87 0.90 1.50 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 28 D 8.22 4.41 0.00 2.77 2.75 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 29 D 8.07 4.36 0.00 2.90 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 30 W 8.45 4.24 0.00 3.38 3.39 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 31 L 8.75 3.58 0.00 2.03 1.64 0.50 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 32 T 7.97 3.86 4.21 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 0.00 0.00 1.29 0.00 0.00 33 Q 7.22 4.50 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.20 0.00 0.00 0.00 0.00 0.00 2.20 2.39 0.00 34 A 7.39 4.48 0.22 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 35 P 0.00 4.32 0.00 2.06 2.27 0.00 3.49 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 36 D 8.02 5.24 0.00 2.49 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 0.00 0.00 0.00 0.00 37 G 9.22 4.85 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 38 V 9.31 5.14 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 0.72 0.00 0.00 0.57 0.00 0.00 39 V 8.63 4.51 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 0.80 0.00 0.00 0.81 0.00 0.00 40 L 8.75 4.46 0.00 1.49 1.48 0.59 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.57 4.65 0.00 0.81 0.44 0.78 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.53 5.06 0.00 4.02 4.03 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 43 S 8.44 4.96 0.00 3.85 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 44 D 8.49 4.40 0.00 2.64 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 45 P 0.00 4.59 0.00 2.33 2.20 0.00 3.83 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 46 K 8.06 4.03 0.00 1.80 1.89 0.00 1.75 0.00 0.00 1.93 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.42 7.81 47 R 8.17 3.94 0.00 1.76 2.13 0.00 3.23 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 48 T 7.92 4.45 4.28 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 1.31 0.00 0.00 49 P 0.00 4.69 0.00 2.24 2.17 0.00 3.44 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 50 E 8.36 4.24 0.00 2.07 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 2.33 2.41 0.00 51 V 7.11 3.80 2.20 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 0.93 0.00 0.00 1.06 0.00 0.00 52 S 8.01 4.41 0.00 3.94 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 53 D 8.35 4.55 0.00 2.90 2.75 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 54 N 8.23 4.28 0.00 2.71 2.91 0.00 0.00 6.95 7.69 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 55 P 0.00 4.58 0.00 2.29 2.35 0.00 3.72 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 2.19 2.27 0.00 56 V 7.28 3.38 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 1.00 0.00 0.00 1.00 0.00 0.00 *58 I 7.91 3.98 1.91 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 0.86 0.56 0.00 0.00 59 G 8.27 3.90 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 0.00 0.00 0.00 60 E 8.11 4.36 0.00 2.37 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 2.71 2.61 0.00 61 L 8.28 4.04 0.00 1.57 1.72 0.66 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.82 3.61 0.00 1.91 1.57 0.68 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 63 H 7.80 4.74 0.00 3.39 3.55 0.00 5.55 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 E 7.95 4.38 0.00 2.52 1.85 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 2.49 3.01 0.00 65 F 8.69 5.05 0.00 3.74 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 66 P 0.00 4.55 0.00 2.11 2.23 0.00 3.80 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.44 0.00 67 D 8.35 4.35 0.00 2.02 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 68 Y 7.60 4.39 0.00 1.46 1.75 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 69 T 7.74 4.33 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 1.13 0.00 0.00 70 W 7.67 4.94 0.00 3.30 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 71 Q 9.21 4.71 0.00 2.19 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 72 V 8.64 4.67 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 -0.41 0.00 0.00 0.48 0.00 0.00 73 A 8.95 4.90 -0.32 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 74 I 8.34 4.80 1.74 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.55 0.92 0.00 0.00 75 A 8.42 5.38 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 76 D 8.63 4.79 0.00 2.55 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 0.00 0.00 0.00 77 L 7.74 3.76 0.00 1.40 1.54 0.55 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 78 E 7.94 3.95 0.00 2.10 1.95 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 2.34 2.40 0.00 79 Q 9.16 4.07 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 80 S 8.52 4.21 0.00 4.08 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 81 E 8.15 4.13 0.00 2.18 2.01 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 2.35 2.62 0.00 82 A 7.86 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.15 3.89 1.98 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 1.54 0.74 0.97 0.00 0.00 84 G 8.58 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 85 D 8.33 4.18 0.00 2.93 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 86 R 7.84 3.96 0.00 1.77 2.14 0.00 3.22 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.36 0.00 87 F 7.98 4.56 0.00 2.92 2.85 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 88 G 7.56 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 89 A 7.63 4.34 1.41 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 0.00 0.00 90 F 8.59 4.59 0.00 3.02 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 91 R 7.88 4.46 0.00 1.77 1.90 0.00 3.33 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 92 F 8.32 5.29 0.00 2.90 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 93 P 0.00 4.67 0.00 2.08 1.97 0.00 3.60 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 2.16 2.17 0.00 94 A 8.46 5.19 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 95 T 8.50 4.75 4.10 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 1.01 0.00 0.00 96 L 8.80 4.69 0.00 1.72 1.54 0.14 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.65 4.81 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 0.94 0.00 0.00 0.71 0.00 0.00 98 F 9.61 5.42 0.00 3.19 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 99 T 9.09 4.71 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 1.38 0.00 0.00 100 G 9.35 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 0.00 101 G 8.62 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 0.00 102 N 8.30 5.06 0.00 2.95 2.75 0.00 0.00 6.64 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 8.74 4.11 0.00 2.81 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 0.00 104 R 9.09 3.96 0.00 1.51 1.90 0.00 3.53 0.00 0.00 3.12 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 105 G 5.38 3.38 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 0.00 106 V 7.47 4.84 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 0.85 0.00 0.00 0.97 0.00 0.00 107 L 8.96 4.49 0.00 1.47 1.54 0.68 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.77 5.36 0.00 2.85 2.81 0.00 0.00 6.43 7.00 0.00 0.00 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 G 8.45 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 0.00 110 I 7.77 4.51 1.87 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 1.41 1.00 0.88 0.00 0.00 111 H 8.52 5.02 0.00 3.03 3.14 0.00 5.97 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.47 0.00 2.24 2.06 0.00 3.67 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 2.16 2.13 0.00 113 W 9.17 3.91 0.00 3.49 3.31 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 0.00 114 A 8.33 4.28 1.46 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 0.00 115 E 7.91 4.27 0.00 2.11 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 2.33 2.34 0.00 116 L 7.45 3.98 0.00 1.64 1.03 0.61 0.22 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 0.00 117 I 6.98 3.52 1.18 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.95 0.95 0.00 0.00 118 N 7.74 4.59 0.00 3.09 3.06 0.00 0.00 7.02 6.55 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 0.00 119 L 7.13 3.98 0.00 1.74 1.58 0.64 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 *121 R 8.17 4.52 0.00 2.20 2.16 0.00 3.25 0.00 0.00 3.49 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 122 G 7.89 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 0.00 0.00 0.00 123 L 7.34 4.36 0.00 1.56 1.51 0.72 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 124 V 7.41 4.10 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 0.37 0.00 0.00 0.85 0.00 0.00 125 E 7.89 4.45 0.00 1.95 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 2.18 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.