NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 H 4.9336 8.4449 117.3747 54.8628 31.1027 173.9161 1 M 4.5761 8.0165 117.0223 55.9995 31.7939 178.3047 2 A 4.1483 7.7306 129.1653 53.4704 19.6417 178.0785 3 T 4.5250 8.2969 108.9770 60.8526 70.4644 174.3887 4 A 4.0660 8.1888 124.9023 51.6433 18.9126 175.4860 5 P 4.3463 0.0000 0.0000 62.6821 32.0112 176.2983 6 R 3.2395 8.0092 120.2592 55.1174 30.5451 174.9010 7 P 4.5555 0.0000 0.0000 62.7566 33.0251 175.2963 8 L 5.2733 8.8354 121.9999 52.9926 44.3107 178.1733 9 R 4.4040 8.1632 115.6783 58.6662 29.6493 178.7946 10 E 4.2479 8.1846 115.9835 58.9321 29.7258 178.0213 11 Q 3.9742 8.0529 117.8660 57.6615 28.8802 175.6799 12 Y 4.5781 8.1149 115.6177 56.1425 40.3119 175.2570 13 L 4.5659 8.8004 122.1920 55.6306 43.7191 176.5689 14 H 4.9239 7.6536 117.4045 54.1295 33.3679 172.1341 15 F 5.4056 8.5911 122.6046 55.7336 41.8326 174.5841 16 Q 4.5974 9.2818 123.6833 53.5779 31.9617 172.5439 17 P 4.6527 0.0000 0.0000 63.2452 31.2805 176.0366 18 I 4.6951 8.4665 122.3537 59.8240 41.4234 174.8264 19 S 4.4838 8.8059 122.6482 57.9401 63.8706 174.1964 20 T 4.5633 8.4112 113.4260 61.6168 69.8949 173.6495 21 R 4.6717 9.4932 122.2896 53.8011 33.4843 176.7331 22 W 2.6424 8.2313 130.7635 60.7063 30.4904 177.0841 23 H 4.4502 8.0426 114.0534 56.3613 29.4065 175.5144 24 D 4.3870 8.3306 121.4522 57.0227 40.8245 176.8948 25 N 4.7406 7.3051 114.9977 53.1521 39.1344 174.4397 26 D 4.8326 8.2187 121.9931 51.3290 41.9885 176.5287 27 I 2.9538 8.0439 117.9360 64.2630 37.7045 176.2381 28 Y 4.6235 7.6222 115.3340 58.0553 37.9579 176.3064 29 G 3.8696 9.2244 110.2816 44.9786 0.0000 172.6487 30 H 5.0951 7.6503 115.5093 53.0852 33.1473 173.1734 31 V 4.1033 8.8522 120.4998 63.3713 31.8052 175.4656 32 N 4.5224 8.8631 127.3614 53.5471 39.3847 175.5110 33 N 4.2043 8.8746 122.0618 55.9226 37.8180 177.4068 34 V 3.8502 8.3086 118.4288 66.1454 31.4679 178.1318 35 T 3.5524 7.8222 115.2736 66.5273 68.0326 176.0525 36 Y 3.9080 7.6669 117.4649 61.1978 37.7186 178.2833 37 Y 3.5128 7.7460 117.3526 60.4979 37.9168 177.9749 38 A 3.9379 7.5942 121.4883 54.9183 18.4234 179.5054 39 F 4.5497 7.7887 116.5956 60.7329 38.9692 177.7894 40 F 4.5294 8.6478 117.8935 60.9179 38.9330 177.1727 41 D 4.3029 8.4072 117.6488 57.6153 40.9419 178.5280 42 T 3.9391 8.3078 116.0201 66.4996 68.4662 176.5221 43 A 4.3219 8.4083 124.3544 54.6552 18.3762 179.6783 44 V 3.4298 7.9250 116.5265 66.4500 31.5929 178.0440 45 N 4.4598 8.1629 115.6253 56.5789 38.3625 177.5151 46 T 3.9207 8.0692 117.2690 66.7604 68.5050 175.9395 47 Y 3.9422 7.9602 120.9014 60.7900 38.9488 177.9917 48 L 4.0372 8.3856 120.1331 57.8624 41.8594 179.7433 49 I 3.6785 8.4270 119.8552 64.6494 36.9298 178.4562 50 E 4.0756 8.4275 118.2537 58.4837 29.4061 178.5598 51 R 4.4303 8.0293 116.5213 55.8720 31.8393 177.5350 52 G 3.9979 7.6610 102.3811 43.4917 0.0000 173.8172 53 G 3.8512 7.4859 107.1488 45.5897 0.0000 173.8232 54 L 3.8030 7.6200 121.2496 55.4362 42.3427 176.5123 55 D 4.7786 8.5205 125.8893 52.3675 40.7553 176.2051 56 I 3.8804 8.1050 120.1746 63.1724 38.3457 178.0030 57 Q 4.1796 8.3473 119.8244 58.2151 28.7520 176.8149 58 G 4.1412 8.5180 101.6573 44.4110 0.0000 173.0155 59 G 3.7950 8.1890 109.1765 45.8697 0.0000 173.5578 60 E 4.4277 8.6687 119.2008 56.5143 31.3357 175.7355 61 V 5.0257 7.8331 119.5814 60.8843 33.7050 174.5932 62 I 4.7414 8.9997 120.9309 59.0686 41.4083 174.4189 63 G 3.3496 8.4700 109.9457 44.4369 0.0000 172.9308 64 L 4.7438 8.2371 126.5228 53.0994 43.9471 176.1129 65 V 4.5623 8.4257 123.6203 62.9274 31.6122 175.7566 66 V 4.5320 8.4324 120.5107 61.9754 33.9789 175.8577 67 S 4.8565 7.9682 113.0356 57.7995 65.8856 173.6885 68 S 5.4572 8.5369 114.2229 58.1917 65.5705 173.4709 69 S 4.9872 9.8764 114.7549 57.9621 66.5387 172.5925 70 C 5.0317 8.5964 120.0030 58.1491 34.6353 172.5123 71 D 4.6758 8.8113 125.1551 52.4655 43.9528 174.4586 72 Y 4.2922 7.8892 119.6628 56.4370 39.7406 175.9279 73 F 4.6704 9.1766 123.2717 58.7847 40.8419 176.4969 74 A 4.6665 7.7382 118.3194 49.9974 21.8854 173.8279 75 P 4.7296 0.0000 0.0000 62.8914 32.7219 175.5169 76 V 4.8476 8.2216 113.2092 59.7975 36.0074 174.1796 77 A 5.1505 9.1632 121.9160 50.1974 22.7435 175.9592 78 F 4.3968 9.5412 123.9498 58.0339 39.9378 173.4075 79 P 4.1174 0.0000 0.0000 61.2820 31.5479 175.6557 80 Q 4.0676 8.0453 117.7243 57.2654 29.3607 176.0734 81 R 4.6777 8.3183 118.9480 54.9175 32.1386 175.6226 82 I 5.1152 7.8733 114.1494 59.1427 41.8043 174.0228 83 E 5.0890 8.8720 123.2127 55.1120 33.1440 173.8524 84 M 4.9024 9.3776 127.7390 54.7840 33.7711 175.5500 85 G 4.0151 9.0241 111.0757 44.5596 0.0000 172.3149 86 L 5.5022 8.5610 124.5244 53.1765 46.0432 175.3027 87 R 4.8948 9.0465 120.0832 54.9011 33.5058 173.6097 88 V 4.5028 8.5753 120.9939 61.7960 32.5117 176.1397 89 A 4.3283 8.8329 129.9687 53.3017 20.3749 177.3585 90 R 4.3911 7.4669 115.0188 55.2883 33.6972 173.3473 91 L 4.7514 8.6855 128.5033 53.4166 44.3202 175.5274 92 G 4.2349 8.9019 116.2252 43.4529 0.0000 172.1594 93 N 4.4363 8.7786 116.5760 56.2530 39.1399 176.3087 94 S 5.1942 8.0749 109.5700 57.6775 65.1273 173.0388 95 S 5.4738 7.9671 114.5743 57.5158 67.2617 172.9148 96 V 4.7205 8.4523 118.7717 60.5637 34.9148 172.7924 97 Q 4.7196 8.5432 126.2859 54.9620 30.5583 173.6643 98 Y 5.0257 8.5835 124.5747 56.5374 40.5635 174.3374 99 E 5.0539 9.3620 122.6861 54.7068 32.5770 175.1549 100 L 5.6256 9.0208 122.3697 51.9167 46.4031 175.3146 101 A 4.7855 7.5763 121.6220 50.0466 23.0060 174.4906 102 L 4.9253 8.4667 121.9771 53.7755 44.3785 175.5068 103 F 5.2751 9.0590 123.1531 55.3179 43.9714 174.1446 104 L 4.6118 8.5975 121.3819 54.4317 42.5360 176.1148 105 E 4.6655 8.2231 125.8551 57.9193 29.5348 176.0452 106 G 4.3239 9.4362 122.8441 45.9010 0.0000 173.9399 107 Q 4.1340 7.5131 120.4720 56.3796 29.7120 177.5628 108 R 4.3248 8.5650 118.3499 57.2675 31.8104 177.1834 109 E 4.6740 8.1361 112.2769 54.9622 30.7178 179.9640 110 A 3.8818 8.0091 125.9070 51.6198 18.5154 177.4590 111 C 4.5406 9.1013 119.8100 62.1119 29.8121 173.5522 112 A 4.9779 7.7682 117.5663 51.0655 22.5042 175.1369 113 A 4.9226 8.6678 120.3842 50.9594 23.3044 175.9878 114 G 4.7598 9.3518 108.8446 45.2010 0.0000 171.2992 115 R 5.5750 9.4725 115.0030 53.9336 33.3552 174.0961 116 F 5.5694 8.6173 113.7097 55.8526 42.2559 172.8016 117 V 4.7769 8.9670 119.4217 61.4917 33.9012 174.4473 118 H 5.2811 8.9790 125.3098 55.4738 30.5082 174.4659 119 V 4.8417 8.7611 121.3725 61.2195 34.6925 174.1971 120 F 5.1456 9.1328 125.8636 56.4620 41.0129 175.3496 121 V 5.0395 8.9295 115.1395 59.2682 36.8627 174.2363 122 E 4.2799 8.9530 124.0502 56.5396 29.7948 177.4711 123 R 3.9113 8.9644 130.8388 60.6436 30.2267 178.8972 124 R 4.1112 8.2628 116.0996 59.0445 29.5061 179.5388 125 S 4.4532 8.0135 112.2940 57.7885 63.9767 175.3764 126 S 3.8994 8.6772 118.2091 59.7898 60.7977 171.8700 127 R 4.1451 7.4205 122.7059 56.1199 29.9800 177.7741 128 P 4.8311 0.0000 0.0000 62.4616 31.7428 175.9982 129 V 4.6696 8.7977 122.4281 59.3825 34.9557 174.9846 130 A 4.2015 8.7416 123.2026 52.5446 18.7593 177.4755 131 I 3.3547 8.3761 123.6074 60.9911 37.6736 174.7887 132 P 4.2955 0.0000 0.0000 62.1800 32.2595 176.9494 133 Q 3.8992 8.8582 122.3642 59.6263 28.7746 179.1597 134 E 3.8937 8.0380 118.6802 59.3490 29.5773 179.0535 135 L 3.8750 7.7386 118.3036 57.7923 41.6730 179.0750 136 R 3.8201 8.0236 118.7878 59.8629 29.7981 178.0726 137 D 4.3289 8.5737 118.3946 57.4109 40.5865 178.7997 138 A 4.0872 7.7621 120.0676 55.0944 18.6769 179.3157 139 L 4.2008 8.7802 117.7431 58.0019 41.7021 179.6334 140 A 4.0463 8.4705 120.8036 54.8455 18.0999 178.8690 141 A 4.2731 7.6746 116.5169 53.3978 18.5225 177.6819 142 L 4.6591 7.7522 116.2475 54.0250 43.4164 176.5975 143 Q 4.6998 8.0982 118.1694 55.0540 29.3251 176.4043 144 S 4.2906 8.4183 114.5735 58.6427 63.3449 174.0173 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 *0 H 8.44 4.93 0.00 2.95 2.96 0.00 7.11 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.02 4.58 0.00 2.00 1.37 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 2.66 2.59 0.00 2 A 7.73 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.30 4.53 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 1.25 0.00 0.00 4 A 8.19 4.07 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 5 P 0.00 4.35 0.00 2.16 2.06 0.00 3.83 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 2.01 2.00 0.00 6 R 8.01 3.24 0.00 1.45 1.56 0.00 3.09 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.84 0.00 7 P 0.00 4.56 0.00 2.36 2.21 0.00 3.35 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 2.26 2.20 0.00 8 L 8.84 5.27 0.00 1.68 1.80 0.93 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 9 R 8.16 4.40 0.00 1.82 0.72 0.00 2.21 0.00 0.00 2.85 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.28 0.00 10 E 8.18 4.25 0.00 2.11 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 0.00 2.30 2.28 0.00 11 Q 8.05 3.97 0.00 2.31 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 12 Y 8.11 4.58 0.00 2.79 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 13 L 8.80 4.57 0.00 1.56 1.64 0.92 1.05 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 14 H 7.65 4.92 0.00 3.03 2.83 0.00 5.80 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 8.59 5.41 0.00 2.89 2.92 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 16 Q 9.28 4.60 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.97 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 17 P 0.00 4.65 0.00 2.12 2.05 0.00 3.84 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 2.02 2.02 0.00 18 I 8.47 4.70 1.57 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 1.31 0.98 0.79 0.00 0.00 19 S 8.81 4.48 0.00 4.06 3.91 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 0.00 0.00 0.00 20 T 8.41 4.56 4.55 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 1.28 0.00 0.00 21 R 9.49 4.67 0.00 1.99 1.83 0.00 3.20 0.00 0.00 3.13 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 22 W 8.23 2.64 0.00 2.97 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 23 H 8.04 4.45 0.00 3.25 3.24 0.00 5.80 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.33 4.39 0.00 2.81 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.31 4.74 0.00 2.46 2.58 0.00 0.00 6.97 7.94 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 26 D 8.22 4.83 0.00 2.74 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 27 I 8.04 2.95 1.69 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 1.25 0.74 0.31 0.00 0.00 28 Y 7.62 4.62 0.00 3.19 2.87 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 29 G 9.22 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 30 H 7.65 5.10 0.00 3.11 3.43 0.00 5.64 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.85 4.10 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 0.56 0.00 0.00 0.99 0.00 0.00 32 N 8.86 4.52 0.00 2.83 2.59 0.00 0.00 6.52 6.87 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 33 N 8.87 4.20 0.00 2.10 2.50 0.00 0.00 5.80 7.68 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 34 V 8.31 3.85 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 0.92 0.00 0.00 35 T 7.82 3.55 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 0.52 0.00 0.00 36 Y 7.67 3.91 0.00 2.85 2.50 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 37 Y 7.75 3.51 0.00 3.12 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 38 A 7.59 3.94 1.12 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 0.00 0.00 39 F 7.79 4.55 0.00 3.35 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 40 F 8.65 4.53 0.00 3.24 3.22 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 41 D 8.41 4.30 0.00 2.94 2.65 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 42 T 8.31 3.94 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 43 A 8.41 4.32 1.45 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 0.00 0.00 44 V 7.93 3.43 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 0.46 0.00 0.00 0.40 0.00 0.00 45 N 8.16 4.46 0.00 3.04 2.93 0.00 0.00 7.12 6.42 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 46 T 8.07 3.92 4.50 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 1.29 0.00 0.00 47 Y 7.96 3.94 0.00 3.06 3.20 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 48 L 8.39 4.04 0.00 1.96 1.83 1.36 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.43 3.68 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.95 0.92 0.00 0.00 50 E 8.43 4.08 0.00 1.86 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 2.35 2.65 0.00 51 R 8.03 4.43 0.00 0.70 1.57 0.00 3.19 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.32 0.00 52 G 7.66 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 0.00 0.00 0.00 53 G 7.49 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 0.00 0.00 0.00 54 L 7.62 3.80 0.00 1.69 1.67 1.05 1.26 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 55 D 8.52 4.78 0.00 2.78 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 56 I 8.11 3.88 1.90 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 1.44 0.73 0.96 0.00 0.00 57 Q 8.35 4.18 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 58 G 8.52 4.14 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 0.00 0.00 0.00 59 G 8.19 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 60 E 8.67 4.43 0.00 1.95 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 2.31 0.00 61 V 7.83 5.03 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 0.98 0.00 0.00 0.97 0.00 0.00 62 I 9.00 4.74 1.89 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 1.20 1.17 0.96 0.00 0.00 63 G 8.47 3.35 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 0.00 64 L 8.24 4.74 0.00 1.57 1.57 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.43 4.56 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 0.85 0.00 0.00 0.95 0.00 0.00 66 V 8.43 4.53 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 0.78 0.00 0.00 1.05 0.00 0.00 67 S 7.97 4.86 0.00 3.91 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 68 S 8.54 5.46 0.00 4.25 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 69 S 9.88 4.99 0.00 3.93 4.06 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 70 C 8.60 5.03 0.00 2.24 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 71 D 8.81 4.68 0.00 2.45 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 0.00 0.00 0.00 72 Y 7.89 4.29 0.00 2.75 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.18 4.67 0.00 3.10 3.08 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 74 A 7.74 4.67 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 75 P 0.00 4.73 0.00 1.92 1.96 0.00 3.71 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 1.90 1.80 0.00 76 V 8.22 4.85 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 0.88 0.00 0.00 1.01 0.00 0.00 77 A 9.16 5.15 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 78 F 9.54 4.40 0.00 3.05 2.87 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 79 P 0.00 4.12 0.00 1.66 0.49 0.00 3.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.50 0.00 80 Q 8.05 4.07 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.82 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 81 R 8.32 4.68 0.00 1.74 1.82 0.00 3.04 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 82 I 7.87 5.12 1.71 0.00 0.00 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 0.73 0.76 0.85 0.00 0.00 83 E 8.87 5.09 0.00 2.08 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 2.41 2.35 0.00 84 M 9.38 4.90 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.61 0.00 85 G 9.02 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 86 L 8.56 5.50 0.00 1.58 1.44 0.96 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 87 R 9.05 4.89 0.00 1.77 1.83 0.00 2.58 0.00 0.00 2.77 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.49 0.00 88 V 8.58 4.50 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 0.82 0.00 0.00 0.90 0.00 0.00 89 A 8.83 4.33 1.19 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 0.00 0.00 90 R 7.47 4.39 0.00 1.80 1.66 0.00 3.09 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 91 L 8.69 4.75 0.00 1.56 1.46 0.87 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 92 G 8.90 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 93 N 8.78 4.44 0.00 2.77 2.83 0.00 0.00 6.42 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.07 5.19 0.00 4.18 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 95 S 7.97 5.47 0.00 4.00 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 96 V 8.45 4.72 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 0.60 0.00 0.00 0.53 0.00 0.00 97 Q 8.54 4.72 0.00 2.08 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.82 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 98 Y 8.58 5.03 0.00 2.51 2.58 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 99 E 9.36 5.05 0.00 1.86 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 2.20 2.35 0.00 100 L 9.02 5.63 0.00 0.44 0.98 0.75 0.52 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 0.00 101 A 7.58 4.79 0.48 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 0.00 102 L 8.47 4.93 0.00 1.95 1.64 0.87 0.91 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 0.00 103 F 9.06 5.28 0.00 3.05 2.86 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 0.00 104 L 8.60 4.61 0.00 1.67 1.64 0.95 0.79 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 0.00 105 E 8.22 4.67 0.00 2.02 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 2.30 2.26 0.00 106 G 9.44 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 0.00 0.00 0.00 107 Q 7.51 4.13 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.73 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 108 R 8.56 4.32 0.00 1.70 1.89 0.00 3.24 0.00 0.00 3.37 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.15 0.00 109 E 8.14 4.67 0.00 1.98 1.76 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 2.20 1.87 0.00 110 A 8.01 3.88 1.09 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 0.00 0.00 111 C 9.10 4.54 0.00 3.00 3.32 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 0.00 112 A 7.77 4.98 0.80 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 0.00 113 A 8.67 4.92 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 0.00 114 G 9.35 4.76 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 0.00 0.00 0.00 115 R 9.47 5.57 0.00 2.11 2.02 0.00 3.15 0.00 0.00 3.31 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.28 0.00 116 F 8.62 5.57 0.00 3.43 3.28 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 0.00 117 V 8.97 4.78 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 1.04 0.00 0.00 0.94 0.00 0.00 118 H 8.98 5.28 0.00 3.27 2.80 0.00 5.62 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 0.00 119 V 8.76 4.84 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 1.02 0.00 0.00 0.96 0.00 0.00 120 F 9.13 5.15 0.00 3.13 3.01 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 0.00 121 V 8.93 5.04 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 0.76 0.00 0.00 0.95 0.00 0.00 122 E 8.95 4.28 0.00 2.18 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 2.30 2.13 0.00 123 R 8.96 3.91 0.00 2.12 1.97 0.00 3.48 0.00 0.00 3.28 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 124 R 8.26 4.11 0.00 1.87 1.82 0.00 3.31 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.00 125 S 8.01 4.45 0.00 4.00 4.14 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 0.00 126 S 8.68 3.90 0.00 4.02 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 0.00 127 R 7.42 4.15 0.00 1.62 1.83 0.00 3.31 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.49 0.00 128 P 0.00 4.83 0.00 1.95 2.10 0.00 3.61 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 129 V 8.80 4.67 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 0.81 0.00 0.00 0.95 0.00 0.00 130 A 8.74 4.20 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 0.00 131 I 8.38 3.35 1.73 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 0.80 0.66 0.55 0.00 0.00 132 P 0.00 4.30 0.00 2.08 1.91 0.00 3.25 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 133 Q 8.86 3.90 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.67 0.00 134 E 8.04 3.89 0.00 2.01 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 0.00 2.37 2.38 0.00 135 L 7.74 3.87 0.00 1.61 1.52 0.64 0.85 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 0.00 136 R 8.02 3.82 0.00 1.77 2.06 0.00 3.07 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 137 D 8.57 4.33 0.00 2.80 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.76 4.09 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 0.00 139 L 8.78 4.20 0.00 1.80 1.74 0.95 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.47 4.05 1.36 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 0.00 0.00 141 A 7.67 4.27 1.44 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 0.00 0.00 0.00 142 L 7.75 4.66 0.00 1.60 1.51 0.14 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 143 Q 8.10 4.70 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.96 0.00 0.00 0.00 0.00 0.00 2.34 2.22 0.00 144 S 8.42 4.29 0.00 3.93 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 * Residues marked with a * may have inaccurate shift predictions.