NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.8139 8.2676 118.2311 52.3501 39.6421 175.7312 4 I 3.4577 7.9484 113.8469 62.9201 37.0237 174.1114 5 E 4.2039 8.9757 124.0981 58.7183 29.8279 179.8103 6 K 4.0105 8.3243 118.5818 59.2872 32.1108 179.0494 7 L 3.6530 7.4582 120.0409 58.0003 41.6750 178.5943 8 E 4.1830 8.0440 119.8392 58.8850 29.4364 179.1910 9 Q 3.9775 8.1902 119.4421 59.4174 28.9435 178.4359 10 S 4.1760 7.9213 114.8523 61.6586 62.9213 176.4306 11 L 4.1465 8.0582 120.8154 55.2250 41.6855 176.9616 12 T 3.3471 7.7005 107.1673 62.8111 67.1595 171.5405 13 Y 4.3071 7.8759 122.2710 56.8835 40.9685 173.1372 14 E 4.7566 7.7999 128.5097 54.0013 30.7035 175.4170 15 F 4.2723 8.9804 126.1398 57.4661 39.7170 175.9589 16 K 3.9513 9.5447 125.8256 59.0665 32.2404 177.1018 17 D 4.7646 8.6722 122.5576 52.4577 40.7800 176.6990 18 K 4.0429 8.5479 127.7138 59.4250 31.9999 178.8976 19 N 4.4286 8.2525 116.3779 55.9799 38.3405 177.1817 20 L 3.9846 7.9229 122.1491 57.8485 42.2324 178.7309 21 L 3.3052 7.1479 119.7875 57.9282 41.7794 178.7551 22 I 3.6578 7.3149 118.6019 64.5483 37.3020 177.4717 23 H 4.1492 8.6138 119.1557 59.3739 29.4767 177.1987 24 A 3.9785 7.7080 120.9959 54.6547 18.4307 178.6318 25 L 4.5102 7.6831 115.5071 54.6099 42.1029 176.5285 26 T 4.4971 7.4887 117.8333 61.9639 68.2424 173.9493 27 H 4.6077 8.7739 127.6160 55.4118 30.4767 176.5615 28 K 4.0176 8.1585 124.0359 59.5121 32.3331 178.1946 29 S 4.3447 7.8836 113.0811 60.3987 63.6504 175.3212 30 F 4.4930 8.3807 123.5412 60.5528 39.4574 175.5200 31 K 4.4131 7.8216 120.3749 54.3380 35.0061 174.5761 32 K 3.9827 8.6855 127.3894 58.1958 32.3934 176.1750 33 S 3.8020 9.0876 120.0750 59.2482 60.2834 171.0760 34 Y 4.5071 7.9297 121.3953 56.6305 39.8739 173.4771 35 N 4.9275 8.0525 123.5061 51.0328 40.2055 174.3277 36 N 4.6319 8.7566 114.2415 53.3010 37.3812 176.7771 37 E 3.9453 8.5327 123.4172 59.8869 29.5403 179.3995 38 R 3.9165 7.8153 117.6109 59.2719 30.2293 178.9393 39 L 4.0197 7.7757 118.3236 57.6510 41.5369 179.0089 40 E 3.9884 8.4892 119.6529 59.0895 29.4420 178.5262 41 F 4.0958 8.2803 120.7364 61.2777 39.4423 176.8806 42 L 3.9204 8.2509 119.9358 58.1803 41.8721 179.1595 43 G 3.5436 8.4899 106.1031 47.7192 0.0000 175.1462 44 D 4.9664 8.5554 121.6340 56.6772 41.1840 178.2289 45 A 3.8443 7.5217 121.4680 54.8888 18.2857 179.6488 46 V 3.5709 7.7638 116.7596 66.4027 31.5469 178.3896 47 L 4.1338 8.2284 118.8868 57.8238 41.3950 179.2258 48 D 4.3912 8.3530 119.1074 57.1435 40.6181 178.6465 49 L 3.9474 7.8421 120.5904 57.9421 42.1620 178.8344 50 V 3.7726 8.3462 118.7480 66.4017 31.3845 178.2605 51 V 3.8648 8.3116 118.1249 65.7618 31.3395 178.0674 52 G 3.7506 8.3428 105.6459 47.9110 0.0000 175.2051 53 E 3.9947 8.6577 122.3529 59.0359 29.6303 178.0299 54 Y 4.1976 8.2474 119.5595 61.0339 38.8335 178.3763 55 L 3.9443 8.4566 119.8751 57.5767 41.5100 179.0222 56 F 4.0432 8.3711 120.0161 61.8081 39.3278 176.7503 57 H 4.3519 8.2656 114.4160 58.7590 28.6905 177.4386 58 K 3.7754 7.7962 120.3340 57.7061 33.4170 176.9279 59 F 4.8625 7.7076 117.9283 55.1467 38.6567 175.5508 60 A 3.8457 8.0231 125.5465 54.0149 18.7657 178.8472 61 K 4.3717 7.7601 112.6660 56.2420 33.1404 176.3904 62 D 4.3532 7.7456 120.1299 53.7650 41.3619 176.8896 63 A 4.2308 8.3047 125.1745 51.4316 20.5327 177.9407 64 E 3.9808 8.8276 121.4163 59.6809 29.5766 179.4911 65 G 3.6546 8.0522 105.0018 47.8421 0.0000 175.2736 66 D 4.3092 7.9640 120.6456 57.1324 40.8836 178.5680 67 L 4.0006 8.0375 119.5436 57.7921 41.5464 179.5391 68 S 4.0799 8.4499 113.3154 61.4972 62.4038 176.4724 69 K 3.9609 8.1021 121.0821 59.3907 31.6890 179.4220 70 L 3.9642 8.1882 119.6139 57.6856 41.5118 179.5059 71 R 3.9796 8.3507 118.6999 59.4747 29.8281 178.4360 72 A 4.0615 8.0622 119.3072 55.0153 18.4156 179.0753 73 A 4.0153 7.8273 117.8617 53.9149 18.4771 178.6224 74 L 4.2389 7.0391 114.8083 54.8135 44.0158 177.1261 75 V 3.5074 7.7509 120.4804 61.0295 30.1956 174.6302 76 N 4.5753 6.4890 121.9157 50.0827 40.9142 174.7417 77 E 4.1158 8.4502 122.6381 58.8765 29.6979 178.9493 78 K 3.9724 8.0296 117.7797 59.6728 32.1911 179.3645 79 S 4.3632 8.6260 115.6555 61.8187 62.7357 176.8775 80 F 4.7007 8.1776 120.3737 60.4995 38.5208 177.6641 81 A 4.1563 8.6367 121.1187 54.8098 18.1325 179.5608 82 K 3.8765 8.2661 118.2038 59.8093 32.1781 179.0946 83 I 3.8643 8.0656 119.7737 64.2947 37.0420 178.0637 84 A 4.0820 8.5226 122.0072 55.6103 18.1940 179.5279 85 N 4.3613 8.5151 115.1711 56.3678 38.3448 177.7987 86 S 4.1861 7.9774 114.8769 60.6018 63.0844 175.5053 87 L 4.4697 7.3766 120.2895 53.3245 42.1657 175.7602 88 N 4.2969 8.4592 116.1848 54.0775 36.9121 176.6251 89 L 4.2822 8.2811 119.7908 57.7932 42.0937 180.2196 90 G 3.7781 8.2231 106.6452 48.5595 0.0000 174.2001 91 D 4.2789 8.0519 118.6865 55.8784 40.8778 176.9311 92 F 4.7827 7.9596 116.2016 57.4560 41.1102 176.0119 93 I 4.0691 7.7415 121.2833 61.2437 37.8306 175.4101 94 L 4.3424 8.7633 127.3393 53.3172 42.9486 175.6004 95 M 5.3427 8.1265 120.2752 53.5410 34.5876 174.7647 96 S 4.5224 9.0057 114.6963 57.9760 64.2309 175.5871 97 V 3.5705 8.6391 120.1131 66.3000 31.1650 177.9294 98 A 4.0038 8.0017 119.8271 55.1366 18.2468 179.0122 99 E 3.8838 8.3308 117.7738 59.3800 29.7575 178.6210 100 E 3.9131 8.4141 119.4682 59.5163 29.5283 178.6155 101 N 4.4524 8.4295 115.4358 55.7466 38.5433 176.0371 102 N 4.8458 7.8808 116.3435 52.7628 38.9392 175.5129 103 G 3.8908 8.1897 108.9831 45.9225 0.0000 176.2813 104 G 3.6760 8.2762 111.8208 48.2486 0.0000 176.8564 105 K 4.0122 8.0522 117.9889 58.5118 32.1386 177.3044 106 E 4.5225 7.8285 115.9908 55.8186 30.3174 176.6175 107 K 4.1775 7.8887 121.1866 55.5132 33.1008 176.0225 108 P 4.3348 0.0000 0.0000 65.5660 31.2666 178.8477 109 S 4.2678 8.0625 112.6962 61.6226 62.9085 176.6048 110 I 3.7522 7.6961 122.9774 63.8772 36.9555 178.2231 111 L 3.9879 7.9542 119.8278 57.8311 41.3835 179.4655 112 S 4.1976 8.4157 113.2748 61.6462 62.3092 175.8173 113 D 4.3815 8.4178 121.4973 57.4430 40.5018 178.7639 114 A 4.0918 8.0838 121.1712 54.9530 18.3546 179.4397 115 L 3.8144 7.9449 118.8211 58.4081 42.2045 179.0574 116 E 3.6675 8.2293 118.4206 59.2703 29.2437 179.2429 117 A 4.1084 8.2721 121.1058 55.1236 18.3521 179.7420 118 I 3.6349 7.9406 118.5165 64.6357 37.1137 178.7231 119 I 3.6981 7.7763 120.7855 64.1866 36.7850 178.6807 120 G 3.5797 8.2760 106.5202 47.8168 0.0000 175.6189 121 A 4.0667 8.2521 123.5341 54.8878 18.3230 179.8651 122 I 3.0198 7.9207 118.5018 64.3677 36.9728 177.9834 123 H 4.1643 8.2570 119.2693 59.2396 29.4590 176.8655 124 L 3.9184 7.9297 120.9292 58.2896 41.9885 178.1897 125 E 4.1848 8.1147 117.4509 57.8240 29.8202 176.6149 126 A 4.5165 8.3858 118.4718 50.9101 20.7601 176.6536 127 G 3.9949 8.1712 101.7388 44.9681 0.0000 174.7282 128 F 4.2449 8.8355 120.0945 61.4747 39.3868 177.0620 129 E 3.6611 8.2470 117.6321 59.1142 29.2571 179.0653 130 F 3.9953 8.0741 119.9161 61.3358 39.5258 176.7851 131 A 3.8415 7.8886 120.4342 54.9159 18.0329 179.4850 132 K 3.6086 7.8955 118.3560 59.9707 32.2369 179.2025 133 T 3.8381 7.7451 115.9039 66.5537 68.3870 176.7614 134 I 3.6831 7.9372 121.4653 64.3570 37.0880 178.3926 135 A 3.9600 8.1945 121.8439 55.1815 18.1766 179.6647 136 L 3.8063 8.2820 117.9771 57.7181 41.5671 179.6996 137 R 3.8666 7.9428 118.6536 59.4781 30.1823 178.5665 138 L 3.9965 7.8182 118.5020 57.8541 41.5711 179.6599 139 I 3.9436 8.0401 119.8694 64.6574 36.8892 178.4923 140 E 4.1426 8.3849 118.3426 59.1400 29.2843 179.2618 141 K 4.1302 8.1921 118.3013 58.9470 32.1842 178.3683 142 N 4.4712 7.8058 114.7741 53.4413 40.2779 175.5471 143 F 4.9016 8.1672 118.4060 55.0587 39.3491 174.1090 144 P 4.5595 0.0000 0.0000 62.7828 31.0681 177.5931 *146 I 4.0647 7.8321 125.2898 62.7284 37.4522 175.6212 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 3 N 8.27 4.81 0.00 3.01 3.19 0.00 0.00 5.85 6.92 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 4 I 7.95 3.46 1.77 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.86 0.95 0.00 0.00 5 E 8.98 4.20 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 2.39 2.34 0.00 6 K 8.32 4.01 0.00 2.25 2.03 0.00 1.83 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.54 7.81 7 L 7.46 3.65 0.00 0.27 1.25 0.70 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.04 4.18 0.00 2.22 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 2.66 2.31 0.00 9 Q 8.19 3.98 0.00 2.36 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 10 S 7.92 4.18 0.00 4.03 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 11 L 8.06 4.15 0.00 1.86 1.80 1.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 12 T 7.70 3.35 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 13 Y 7.88 4.31 0.00 2.86 2.71 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 14 E 7.80 4.76 0.00 1.79 1.58 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 2.12 2.28 0.00 15 F 8.98 4.27 0.00 3.17 3.17 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 0.00 0.00 0.00 0.00 16 K 9.54 3.95 0.00 1.91 1.88 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.50 7.81 17 D 8.67 4.76 0.00 2.73 2.81 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 18 K 8.55 4.04 0.00 1.81 1.84 0.00 1.78 0.00 0.00 1.99 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.49 7.81 19 N 8.25 4.43 0.00 2.99 2.95 0.00 0.00 6.56 7.31 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 20 L 7.92 3.98 0.00 1.87 1.95 0.95 0.76 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 21 L 7.15 3.31 0.00 0.27 1.26 0.62 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.31 3.66 2.04 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 1.40 0.76 0.99 0.00 0.00 23 H 8.61 4.15 0.00 3.40 3.34 0.00 5.61 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 24 A 7.71 3.98 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 25 L 7.68 4.51 0.00 1.84 1.80 0.87 0.68 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 26 T 7.49 4.50 4.37 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 1.51 0.00 0.00 27 H 8.77 4.61 0.00 3.14 3.35 0.00 5.60 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.16 4.02 0.00 1.85 1.86 0.00 1.62 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.99 1.33 7.81 29 S 7.88 4.34 0.00 4.12 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 0.00 30 F 8.38 4.49 0.00 3.02 3.24 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 31 K 7.82 4.41 0.00 1.66 1.78 0.00 1.74 0.00 0.00 1.58 0.00 0.00 2.67 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.34 7.81 32 K 8.69 3.98 0.00 1.73 1.72 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.55 7.81 33 S 9.09 3.80 0.00 4.11 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 34 Y 7.93 4.51 0.00 2.79 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 35 N 8.05 4.93 0.00 2.89 2.78 0.00 0.00 6.28 8.04 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 36 N 8.76 4.63 0.00 2.98 3.21 0.00 0.00 7.44 7.14 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 37 E 8.53 3.95 0.00 2.09 2.03 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 2.32 2.43 0.00 38 R 7.82 3.92 0.00 1.78 1.94 0.00 3.08 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 39 L 7.78 4.02 0.00 1.72 1.83 0.70 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.49 3.99 0.00 2.13 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 0.00 2.43 2.48 0.00 41 F 8.28 4.10 0.00 3.15 3.19 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 42 L 8.25 3.92 0.00 1.94 1.84 0.91 1.02 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 43 G 8.49 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 44 D 8.56 4.97 0.00 2.90 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 45 A 7.52 3.84 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 46 V 7.76 3.57 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 1.14 0.00 0.00 0.88 0.00 0.00 47 L 8.23 4.13 0.00 1.78 1.84 0.44 1.11 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 48 D 8.35 4.39 0.00 2.89 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 49 L 7.84 3.95 0.00 1.65 1.82 0.80 0.42 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 50 V 8.35 3.77 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 0.94 0.00 0.00 1.03 0.00 0.00 51 V 8.31 3.86 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 1.12 0.00 0.00 0.99 0.00 0.00 52 G 8.34 3.75 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 0.00 0.00 0.00 53 E 8.66 3.99 0.00 2.11 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 0.00 2.46 2.41 0.00 54 Y 8.25 4.20 0.00 3.21 3.26 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 55 L 8.46 3.94 0.00 2.03 1.90 1.10 1.32 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 56 F 8.37 4.04 0.00 3.13 3.27 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 57 H 8.27 4.35 0.00 3.17 3.32 0.00 5.71 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.80 3.78 0.00 0.88 0.88 0.00 1.08 0.00 0.00 0.99 0.00 0.00 2.73 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.30 0.79 7.81 59 F 7.71 4.86 0.00 3.16 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 60 A 8.02 3.85 1.18 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 0.00 0.00 0.00 61 K 7.76 4.37 0.00 1.73 1.82 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.36 7.81 62 D 7.75 4.35 0.00 2.90 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 63 A 8.30 4.23 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 64 E 8.83 3.98 0.00 2.03 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 2.41 2.36 0.00 65 G 8.05 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.96 4.31 0.00 2.88 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 67 L 8.04 4.00 0.00 1.90 1.80 1.02 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.45 4.08 0.00 4.09 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 69 K 8.10 3.96 0.00 1.82 1.80 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.58 7.81 70 L 8.19 3.96 0.00 1.75 1.74 0.66 0.98 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 71 R 8.35 3.98 0.00 1.99 2.09 0.00 3.14 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 72 A 8.06 4.06 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 73 A 7.83 4.02 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 74 L 7.04 4.24 0.00 1.68 1.52 0.95 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 75 V 7.75 3.51 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 1.01 0.00 0.00 1.01 0.00 0.00 76 N 6.49 4.58 0.00 2.88 2.84 0.00 0.00 5.75 7.66 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 77 E 8.45 4.12 0.00 2.09 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 2.42 2.33 0.00 78 K 8.03 3.97 0.00 1.97 1.87 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.54 7.81 79 S 8.63 4.36 0.00 3.48 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 80 F 8.18 4.70 0.00 3.09 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 81 A 8.64 4.16 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 82 K 8.27 3.88 0.00 1.91 2.15 0.00 1.56 0.00 0.00 1.30 0.00 0.00 2.40 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.46 1.41 7.81 83 I 8.07 3.86 2.19 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.87 0.98 0.00 0.00 84 A 8.52 4.08 1.48 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 85 N 8.52 4.36 0.00 2.95 2.90 0.00 0.00 6.84 8.22 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 86 S 7.98 4.19 0.00 4.02 4.09 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 87 L 7.38 4.47 0.00 1.81 1.76 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.46 4.30 0.00 3.13 3.09 0.00 0.00 6.98 6.25 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 89 L 8.28 4.28 0.00 1.78 1.80 0.94 0.78 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 90 G 8.22 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 91 D 8.05 4.28 0.00 1.94 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 0.00 0.00 0.00 0.00 92 F 7.96 4.78 0.00 2.95 2.99 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 93 I 7.74 4.07 1.86 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 1.35 0.66 0.88 0.00 0.00 94 L 8.76 4.34 0.00 0.93 0.13 0.77 0.33 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 95 M 8.13 5.34 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 96 S 9.01 4.52 0.00 4.10 4.32 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 97 V 8.64 3.57 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 1.11 0.00 0.00 0.96 0.00 0.00 98 A 8.00 4.00 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 99 E 8.33 3.88 0.00 2.16 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 2.21 2.31 0.00 100 E 8.41 3.91 0.00 2.08 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 0.00 2.31 2.35 0.00 101 N 8.43 4.45 0.00 2.86 2.88 0.00 0.00 7.09 7.56 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 0.00 102 N 7.88 4.85 0.00 2.84 2.84 0.00 0.00 7.10 6.94 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 0.00 103 G 8.19 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.28 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 0.00 105 K 8.05 4.01 0.00 1.74 1.87 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.41 1.44 7.81 106 E 7.83 4.52 0.00 1.96 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 2.25 2.24 0.00 107 K 7.89 4.18 0.00 1.94 1.75 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.68 7.81 108 P 0.00 4.33 0.00 2.37 2.13 0.00 3.62 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 109 S 8.06 4.27 0.00 4.08 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 0.00 110 I 7.70 3.75 1.98 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.73 0.88 0.00 0.00 111 L 7.95 3.99 0.00 1.90 1.76 1.01 0.85 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 0.00 112 S 8.42 4.20 0.00 4.18 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 0.00 113 D 8.42 4.38 0.00 2.93 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 4.09 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 0.00 115 L 7.94 3.81 0.00 1.78 1.76 0.88 0.99 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 0.00 116 E 8.23 3.67 0.00 1.94 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 1.53 2.35 0.00 117 A 8.27 4.11 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 0.00 118 I 7.94 3.63 1.97 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 1.46 0.65 0.94 0.00 0.00 119 I 7.78 3.70 1.85 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.71 0.82 0.00 0.00 120 G 8.28 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 0.00 121 A 8.25 4.07 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.92 3.02 1.64 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 0.64 -0.00 0.00 0.00 123 H 8.26 4.16 0.00 3.24 3.50 0.00 5.79 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 0.00 124 L 7.93 3.92 0.00 1.80 1.93 0.96 1.27 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 0.00 125 E 8.11 4.18 0.00 2.08 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 2.32 2.36 0.00 126 A 8.39 4.52 1.04 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 0.00 127 G 8.17 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 0.00 0.00 0.00 128 F 8.84 4.24 0.00 3.28 3.17 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 0.00 0.00 0.00 0.00 129 E 8.25 3.66 0.00 2.09 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 2.44 2.52 0.00 130 F 8.07 4.00 0.00 3.02 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 0.00 131 A 7.89 3.84 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 0.00 132 K 7.90 3.61 0.00 0.88 1.53 0.00 1.74 0.00 0.00 1.46 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.36 7.81 133 T 7.75 3.84 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 1.15 0.00 0.00 134 I 7.94 3.68 1.92 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.20 0.86 0.00 0.00 135 A 8.19 3.96 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 0.00 136 L 8.28 3.81 0.00 1.66 1.66 0.93 0.50 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 0.00 137 R 7.94 3.87 0.00 1.90 2.10 0.00 3.11 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 138 L 7.82 4.00 0.00 1.94 1.74 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 139 I 8.04 3.94 1.94 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 1.66 0.84 0.87 0.00 0.00 140 E 8.38 4.14 0.00 1.97 2.03 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 2.34 2.33 0.00 141 K 8.19 4.13 0.00 1.84 1.85 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.63 7.81 142 N 7.81 4.47 0.00 2.69 2.09 0.00 0.00 6.80 6.76 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 0.00 143 F 8.17 4.90 0.00 3.08 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 0.00 144 P 0.00 4.56 0.00 2.20 2.16 0.00 3.79 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 *146 I 7.83 4.06 2.07 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 1.39 0.86 1.24 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.