NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 N 4.7066 8.2714 118.2114 52.4099 38.8336 174.8344 12 G 3.5369 8.3350 104.4567 46.2921 0.0000 170.8570 13 V 3.6648 8.1129 120.7976 65.9932 31.9865 175.4870 14 H 4.1495 8.8891 118.4440 59.5217 29.6004 176.7582 15 D 4.2480 7.8095 119.5036 57.3919 40.6189 178.2861 16 F 3.9620 8.2217 121.0699 61.7282 39.2671 177.5993 17 I 3.7572 8.0370 118.8821 64.3107 36.9940 178.3569 18 L 3.9339 8.0264 119.9893 57.9388 41.3070 179.7271 19 V 3.5354 7.9604 118.1772 65.9336 31.2449 178.0211 20 R 3.9984 7.3897 116.7564 58.1859 30.1727 178.6002 21 A 3.9733 8.3506 121.3760 55.5079 18.4775 179.7985 22 T 3.8689 8.1444 108.0656 64.9850 68.7333 176.3960 23 A 4.1319 7.8835 123.4262 54.7399 18.2936 179.8308 24 I 3.7020 7.5332 118.2245 64.4390 37.2589 178.5507 25 V 3.6653 7.7757 119.0334 66.2976 31.3600 178.0575 26 L 4.1153 8.4504 118.9302 58.2026 41.4192 179.7410 27 T 3.9473 8.1166 115.7725 66.3975 68.2259 176.8060 28 L 4.0905 8.0591 121.0757 58.0457 41.6853 178.6360 29 Y 3.2460 8.2116 119.4725 60.7701 38.5010 178.4713 30 I 3.6459 8.0956 120.6228 64.3555 37.0903 178.4734 31 I 3.7424 7.8309 120.7528 64.3427 36.8885 177.8813 32 Y 4.1647 8.2172 120.5917 61.1934 38.7627 178.0348 33 M 3.9102 8.0884 119.9434 58.1153 31.8934 179.0473 34 V 3.7586 8.2970 118.9938 65.9819 31.5341 177.8394 35 G 3.8772 7.9891 104.3540 48.4584 0.0000 174.5874 36 F 3.7654 7.9702 123.2253 60.9325 38.9854 177.0488 37 F 3.7960 8.2585 117.0185 60.3844 38.9533 176.8659 38 A 4.4426 7.9928 117.7222 52.1737 20.0206 177.5713 39 T 4.6054 7.5435 107.5496 59.4889 68.7739 173.9881 40 S 4.4063 7.7423 111.6455 58.0084 69.1517 177.6402 41 G 3.4827 7.7588 110.5502 47.6296 0.0000 174.2727 42 E 3.6862 8.0055 124.4190 56.0281 28.5382 178.0678 43 L 4.4741 8.0885 129.0414 53.4703 40.5785 177.3502 44 T 4.1776 7.4861 112.2152 61.5248 71.3617 174.7041 45 Y 4.3015 8.7477 122.6090 60.9109 38.6981 178.3285 46 E 3.8496 8.2503 119.8869 59.2927 29.9960 178.9581 47 V 3.7484 7.7643 112.2248 63.9553 31.4687 178.1838 48 W 4.4069 8.3793 128.3937 60.7781 30.4937 177.8664 49 I 3.6404 8.1357 118.7324 63.7883 37.0957 178.1908 50 G 3.5840 7.9847 106.0943 47.6412 0.0000 174.9876 51 F 4.2076 8.0164 123.2396 61.1815 39.1508 176.9225 52 F 3.7816 7.3991 113.8879 58.6438 38.7529 176.7027 53 A 4.1982 7.3131 120.3346 52.7615 19.1814 177.9265 54 S 4.0232 7.3684 112.8820 58.1620 63.3182 174.5870 55 A 3.9386 8.9055 129.5434 55.3653 17.9777 179.3377 56 F 3.8352 8.2328 118.3569 61.9627 39.4720 177.3853 57 T 3.7992 7.4768 114.3034 66.3202 68.0814 176.7860 58 K 3.8338 8.0313 120.4674 59.4547 32.0627 179.2811 59 V 3.4120 7.6029 118.1439 66.1231 31.4588 177.5695 60 F 4.0506 7.9295 120.2304 61.8127 39.0392 177.3691 61 T 3.4981 8.0260 115.0907 66.4692 68.2863 176.8046 62 L 3.7937 7.8518 120.9300 57.4721 41.4806 179.1874 63 L 3.9852 8.2353 120.4631 58.3189 41.9604 178.9441 64 A 3.8554 7.8353 120.4779 55.0944 18.1380 179.6498 65 L 3.9334 7.7165 117.5219 57.7935 41.6793 179.6266 66 F 4.0602 8.3638 117.7891 60.8031 38.9284 177.8396 67 S 4.2570 8.4993 114.9144 61.8338 62.5642 176.9592 68 I 3.9501 8.2860 122.9130 63.9437 36.8566 178.0921 69 L 4.0137 7.9901 121.3563 58.3777 41.9820 179.2873 70 I 3.8742 7.9754 119.4415 64.7370 37.1742 178.0055 71 H 4.1291 8.8868 119.2209 59.3221 29.7703 177.1213 72 A 4.2147 8.6923 122.8280 54.2502 18.2955 179.4427 73 W 4.4952 8.1904 126.8519 60.8965 30.8992 178.0261 74 I 3.3135 7.6484 119.7148 64.2194 36.6860 178.6266 75 G 3.5357 7.9812 106.1746 48.2736 0.0000 175.7368 76 M 4.1323 8.4988 122.0971 57.4318 31.8896 178.6316 77 W 3.7699 7.7510 128.6837 60.3393 30.4961 178.0212 78 Q 3.6190 7.7819 116.7814 58.7816 28.4647 178.6785 79 V 3.4413 7.4176 118.6629 65.9701 31.5944 177.9991 80 L 3.9487 8.0221 119.3056 57.8655 41.2944 179.0551 81 T 3.8307 7.1432 106.5735 62.8471 68.7844 175.6690 82 D 4.2595 7.2491 121.9718 56.4977 41.3908 176.7417 83 Y 4.6891 7.4376 113.4798 57.7887 39.4288 175.7309 84 V 4.2330 7.8796 119.7509 60.9538 31.5393 175.1443 85 K 4.1100 8.5342 126.4120 58.3813 32.8009 177.3355 86 P 4.3050 0.0000 0.0000 62.2136 32.2960 176.7056 87 L 3.9370 8.6418 124.3923 58.2024 42.1474 178.8753 88 A 3.9784 7.9314 120.0290 55.2569 18.4528 179.1477 89 L 3.9332 7.9354 118.3238 58.2602 42.1012 179.0762 90 R 3.9386 7.9394 118.2601 59.2569 29.9855 178.4282 91 L 4.0878 8.1277 118.8738 58.0258 41.5677 179.2384 92 M 4.0541 8.0418 118.6044 58.6919 31.9995 178.9722 93 L 4.0571 8.0149 118.7388 57.7217 41.6926 179.6878 94 Q 4.3158 8.3309 118.4326 58.6814 28.7207 178.1568 95 L 3.8454 8.2672 121.7911 58.1025 42.0968 179.1460 96 V 3.5388 7.9413 118.0616 66.2470 31.5525 177.8777 97 I 3.7214 7.8216 119.4257 64.3987 36.8593 178.7195 98 V 3.3060 8.1516 119.2645 65.9052 31.3930 178.0128 99 V 3.4340 7.6609 117.7623 65.9939 31.2582 177.6662 100 A 3.7292 8.1782 120.5419 55.2572 18.1686 179.5195 101 L 3.5442 7.5296 117.2694 57.7529 41.6253 180.1686 102 V 3.4638 7.8246 118.3677 65.8174 31.5221 177.8996 103 V 3.6119 8.1398 118.4291 66.5595 31.1884 177.1066 104 Y 4.5222 8.3369 116.4641 61.6267 37.8250 179.1039 105 V 3.5386 7.7186 118.1322 66.1458 31.7122 178.2173 106 I 3.8139 7.9591 119.2892 64.7471 37.0392 177.6474 107 Y 4.3865 8.8399 120.8212 60.8980 38.4688 178.6418 108 G 3.4737 8.4946 106.7042 47.7497 0.0000 175.7063 109 F 3.9672 8.2894 120.2175 60.1544 37.9281 177.8008 110 V 3.7552 7.6358 117.3638 65.4695 31.2102 178.2960 111 V 3.6208 7.4059 117.3575 65.7067 31.3994 177.8760 112 V 3.9342 7.7584 114.1770 64.0362 31.6731 178.8136 *113 W 4.3208 7.9380 120.7001 59.8081 28.0852 179.2361 114 G 4.3352 7.2185 104.1249 45.4848 0.0000 173.9415 115 V 3.9725 7.3406 126.4337 62.5297 31.6515 175.1322 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 11 N 8.27 4.71 0.00 2.96 3.02 0.00 0.00 6.02 6.35 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 12 G 8.34 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.11 3.66 2.23 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 1.04 0.00 0.00 0.89 0.00 0.00 14 H 8.89 4.15 0.00 3.35 3.45 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 7.81 4.25 0.00 2.91 2.68 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 16 F 8.22 3.96 0.00 3.29 3.29 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 17 I 8.04 3.76 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.78 0.94 0.00 0.00 18 L 8.03 3.93 0.00 1.67 1.69 0.77 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.96 3.54 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 0.86 0.00 0.00 0.75 0.00 0.00 20 R 7.39 4.00 0.00 2.03 1.83 0.00 2.21 0.00 0.00 2.69 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.32 0.00 21 A 8.35 3.97 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 22 T 8.14 3.87 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 1.31 0.00 0.00 23 A 7.88 4.13 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 24 I 7.53 3.70 2.08 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.67 0.95 0.00 0.00 25 V 7.78 3.67 2.28 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 1.15 0.00 0.00 0.96 0.00 0.00 26 L 8.45 4.12 0.00 1.75 1.76 0.89 0.78 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 27 T 8.12 3.95 4.44 0.00 0.00 0.00 0.00 0.00 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 28 L 8.06 4.09 0.00 2.20 2.07 1.02 0.89 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 29 Y 8.21 3.25 0.00 2.70 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 30 I 8.10 3.65 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.74 0.92 0.00 0.00 31 I 7.83 3.74 2.11 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.84 1.00 0.00 0.00 32 Y 8.22 4.16 0.00 3.12 2.88 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 33 M 8.09 3.91 0.00 2.13 1.95 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.83 0.00 34 V 8.30 3.76 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 1.10 0.00 0.00 0.95 0.00 0.00 35 G 7.99 3.88 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 0.00 0.00 0.00 36 F 7.97 3.77 0.00 2.25 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 37 F 8.26 3.80 0.00 3.30 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 38 A 7.99 4.44 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 39 T 7.54 4.61 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 1.18 0.00 0.00 40 S 7.74 4.41 0.00 3.60 3.36 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 41 G 7.76 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.01 3.69 0.00 1.97 1.91 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 2.30 2.33 0.00 43 L 8.09 4.47 0.00 1.60 1.59 0.98 0.99 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 44 T 7.49 4.18 4.34 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 1.25 0.00 0.00 45 Y 8.75 4.30 0.00 3.13 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 46 E 8.25 3.85 0.00 2.19 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 2.41 2.44 0.00 47 V 7.76 3.75 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 0.81 0.00 0.00 1.13 0.00 0.00 48 W 8.38 4.41 0.00 3.52 3.25 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 49 I 8.14 3.64 1.35 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.06 0.78 0.00 0.00 50 G 7.98 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 51 F 8.02 4.21 0.00 2.74 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.40 3.78 0.00 2.64 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 53 A 7.31 4.20 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 54 S 7.37 4.02 0.00 3.85 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 55 A 8.91 3.94 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 56 F 8.23 3.84 0.00 3.14 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 57 T 7.48 3.80 3.88 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 0.12 0.00 0.00 58 K 8.03 3.83 0.00 1.85 1.76 0.00 1.63 0.00 0.00 1.53 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.52 7.81 59 V 7.60 3.41 1.81 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 0.84 0.00 0.00 0.87 0.00 0.00 60 F 7.93 4.05 0.00 2.65 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 61 T 8.03 3.50 4.41 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 1.27 0.00 0.00 62 L 7.85 3.79 0.00 1.61 1.52 0.38 -0.62 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 63 L 8.24 3.99 0.00 1.77 1.93 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.84 3.86 0.56 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 0.00 0.00 65 L 7.72 3.93 0.00 1.75 1.63 0.84 1.14 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 66 F 8.36 4.06 0.00 3.24 3.10 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 0.00 67 S 8.50 4.26 0.00 4.05 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 68 I 8.29 3.95 2.09 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 1.47 0.76 1.08 0.00 0.00 69 L 7.99 4.01 0.00 1.85 2.03 0.89 0.69 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 70 I 7.98 3.87 1.97 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 1.53 1.02 0.98 0.00 0.00 71 H 8.89 4.13 0.00 3.26 3.45 0.00 5.77 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 72 A 8.69 4.21 1.53 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 73 W 8.19 4.50 0.00 3.55 3.37 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 74 I 7.65 3.31 1.90 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 1.28 0.66 0.82 0.00 0.00 75 G 7.98 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 M 8.50 4.13 0.00 2.08 2.31 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.90 0.00 77 W 7.75 3.77 0.00 2.05 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 78 Q 7.78 3.62 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.72 0.00 0.00 0.00 0.00 0.00 2.53 2.74 0.00 79 V 7.42 3.44 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 1.12 0.00 0.00 0.91 0.00 0.00 80 L 8.02 3.95 0.00 1.48 1.60 1.02 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 81 T 7.14 3.83 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 0.16 0.00 0.00 82 D 7.25 4.26 0.00 2.00 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 0.00 0.00 0.00 83 Y 7.44 4.69 0.00 2.93 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 84 V 7.88 4.23 2.18 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 0.81 0.00 0.00 0.97 0.00 0.00 85 K 8.53 4.11 0.00 1.79 1.84 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.40 7.81 86 P 0.00 4.31 0.00 2.16 1.99 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 87 L 8.64 3.94 0.00 1.77 1.68 0.96 0.99 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 88 A 7.93 3.98 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 89 L 7.94 3.93 0.00 1.78 1.69 0.94 0.86 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 90 R 7.94 3.94 0.00 2.08 2.02 0.00 3.15 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 91 L 8.13 4.09 0.00 1.77 1.75 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 92 M 8.04 4.05 0.00 2.09 2.28 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.61 0.00 93 L 8.01 4.06 0.00 1.90 1.78 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 8.33 4.32 0.00 2.45 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.79 0.00 0.00 0.00 0.00 0.00 3.17 2.65 0.00 95 L 8.27 3.85 0.00 1.81 1.87 0.86 0.96 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 96 V 7.94 3.54 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 1.01 0.00 0.00 0.98 0.00 0.00 97 I 7.82 3.72 2.16 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.79 1.17 0.00 0.00 98 V 8.15 3.31 1.81 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 0.72 0.00 0.00 -0.17 0.00 0.00 99 V 7.66 3.43 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 0.89 0.00 0.00 0.93 0.00 0.00 100 A 8.18 3.73 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 0.00 101 L 7.53 3.54 0.00 1.78 1.70 1.15 0.81 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 0.00 102 V 7.82 3.46 2.11 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 0.94 0.00 0.00 0.85 0.00 0.00 103 V 8.14 3.61 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 1.05 0.00 0.00 0.94 0.00 0.00 104 Y 8.34 4.52 0.00 3.24 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 0.00 105 V 7.72 3.54 2.12 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 0.66 0.00 0.00 0.75 0.00 0.00 106 I 7.96 3.81 2.05 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 1.38 1.07 0.95 0.00 0.00 107 Y 8.84 4.39 0.00 3.07 3.13 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 0.00 108 G 8.49 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.29 3.97 0.00 3.36 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 0.00 110 V 7.64 3.76 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 0.98 0.00 0.00 0.98 0.00 0.00 111 V 7.41 3.62 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 0.67 0.00 0.00 0.26 0.00 0.00 112 V 7.76 3.93 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 0.66 0.00 0.00 0.86 0.00 0.00 *113 W 7.94 4.32 0.00 2.63 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 0.00 0.00 0.00 0.00 114 G 7.22 4.34 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 0.00 115 V 7.34 3.97 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 0.74 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.