NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4076 8.3049 120.3444 55.2365 33.4549 175.0667 2 T 3.7970 8.2832 123.0554 62.7216 69.9608 169.7814 3 E 4.8873 9.0755 126.6636 54.6894 32.8488 173.8875 4 Y 4.7773 8.8305 125.3367 56.3903 40.2596 175.1828 5 K 4.8409 8.8823 124.7748 55.5587 33.3735 175.7026 6 L 5.0573 9.0867 126.2795 52.8210 44.4952 175.9440 7 V 4.6927 8.4234 123.0186 61.0065 34.5108 174.1802 8 V 4.7981 8.1946 127.2965 61.4556 32.8229 175.1366 9 V 4.4890 10.3107 121.0213 59.0232 35.6182 174.8501 10 G 3.9260 8.2708 108.9145 43.4296 0.0000 172.6902 11 A 4.3294 7.5066 122.8404 51.1087 18.8690 177.6223 12 G 3.7188 8.5053 109.6449 47.1457 0.0000 174.2574 13 G 4.0130 9.0048 111.8215 45.2498 0.0000 174.5501 14 V 3.7581 7.1608 111.4478 62.3180 31.9895 177.1082 15 G 4.2779 8.5119 109.2443 45.5803 0.0000 175.7027 16 K 3.8802 8.5669 121.2252 59.3648 31.9083 178.4594 17 N 4.2732 8.1415 116.3298 56.6162 38.9431 176.5843 18 A 3.9490 7.9634 121.7152 55.1087 18.5343 179.3457 19 L 4.0113 8.3813 117.9062 58.2832 41.6338 179.9907 20 T 3.6688 7.7548 115.1532 66.7301 68.3545 176.8858 21 I 3.4272 7.7053 121.8693 64.2761 37.1653 178.3205 22 Q 4.0409 8.2441 120.6150 58.8592 28.6305 178.0992 23 L 3.7771 7.5035 120.4618 58.4113 42.2168 178.7264 24 I 3.7620 7.5758 118.7265 63.8722 36.5595 177.7287 25 Q 4.2620 8.4857 117.3569 55.1351 28.7924 176.1980 26 N 4.6145 8.7100 116.5701 54.0654 37.2507 172.7890 27 H 4.9530 7.3693 106.2244 53.7046 31.6197 172.0650 28 F 4.8296 8.8386 124.9616 57.3801 40.7220 174.9153 29 V 4.0814 6.9518 124.4209 61.6446 37.7277 171.1665 *38 D 4.1821 7.7484 118.8707 53.8691 41.7879 175.2076 39 S 4.8717 8.1561 120.9035 57.4298 64.7287 172.3517 40 Y 4.8548 8.8246 119.0376 56.3486 42.3526 174.9847 41 R 5.6916 8.6517 120.9003 53.4759 33.7989 174.3528 42 K 4.5714 8.5860 125.1603 54.3912 35.3207 174.4621 43 Q 4.8198 8.7940 129.2346 55.7566 29.8832 175.0938 44 V 4.5273 8.7699 124.7112 60.5531 35.3763 173.0665 45 V 4.4760 8.3187 122.9641 61.8789 32.6149 175.1101 46 I 4.1678 8.5583 129.4159 60.3745 39.2604 175.5875 47 D 4.5309 9.7788 126.6648 55.3782 38.2065 175.0454 48 G 3.9318 8.3886 106.6836 45.2797 0.0000 173.3897 49 E 4.3377 7.8393 121.6426 55.0046 30.2937 174.7946 50 T 4.6415 8.4404 123.9760 63.4384 69.2222 173.6798 51 C 5.0474 9.2572 120.8507 56.6682 34.4668 172.4255 52 L 5.0077 8.9131 121.3124 53.2965 44.0697 174.9843 53 L 4.8461 8.8647 127.6827 54.1082 43.2814 175.4968 54 D 5.1757 9.4337 125.6223 52.7928 42.5445 174.7410 55 I 4.9402 9.1614 130.7327 59.7271 38.5012 177.1437 56 L 4.6434 8.7127 135.0000 54.9032 41.5342 174.8899 57 D 4.3746 9.4926 119.8427 58.9264 40.3520 177.1035 *72 M 4.5625 8.0575 116.7024 54.0732 33.9032 176.4788 73 R 3.9695 8.7657 114.3692 56.8188 27.2057 175.9166 74 T 4.6077 7.2611 113.6463 61.7192 71.5621 173.9571 75 G 3.8077 8.6702 115.5388 44.5999 0.0000 172.5586 76 E 4.4600 8.6747 119.1073 56.8541 30.8525 176.8390 77 G 4.2823 7.3893 105.4765 44.6502 0.0000 171.7421 78 F 5.3653 9.1771 121.0183 55.3319 42.8009 174.2734 79 L 4.6170 9.3019 124.8724 54.2487 42.7386 176.1572 80 C 4.9149 9.1494 124.2906 58.7466 28.8689 172.9176 81 V 4.9313 8.8200 125.5451 61.0629 33.6488 174.5952 82 F 5.1560 9.0333 121.4140 55.2602 42.3811 172.7692 83 A 5.2044 8.9281 120.3280 49.9920 21.2012 177.8225 84 I 4.1186 8.6463 115.1858 62.4555 38.0465 176.9491 85 N 5.3739 8.0178 117.1486 51.8378 37.2850 174.9670 86 N 4.9215 8.2784 118.7102 51.2643 39.8429 174.4314 87 T 3.9797 8.4413 121.0549 66.3968 68.8429 175.5803 88 K 4.1965 8.1828 120.9356 59.5603 32.0612 178.7578 89 S 4.3045 9.0389 114.0341 61.3415 63.1504 176.1300 90 F 4.0436 8.0025 124.0878 61.2189 38.9437 177.1297 91 E 3.8232 8.0620 116.7030 59.1301 29.5482 178.5909 92 D 4.5520 8.2239 118.4887 56.2484 40.9696 178.3616 93 I 3.8999 7.4149 120.7241 64.9858 37.1199 177.4498 94 H 4.2792 8.1193 119.4795 58.7265 29.6653 177.0118 95 Q 3.8493 7.9072 119.2496 59.2132 28.0596 178.5242 96 Y 3.9788 7.8007 117.0509 61.0714 37.9174 178.5802 97 R 3.7191 8.1069 119.5901 59.3244 30.1413 178.3116 98 E 3.8015 8.0463 118.4481 59.2464 29.3600 179.1279 99 Q 3.8294 7.9145 119.4186 59.2739 29.1058 178.1431 100 I 3.3764 7.5018 120.6843 64.4652 37.1491 178.5437 101 K 4.0739 8.1373 120.7253 58.7607 31.8912 179.4936 102 R 3.8140 7.9664 118.9507 59.3651 29.8444 178.6909 103 V 3.5778 7.8262 117.1042 65.8688 31.6852 177.4280 104 K 4.2523 8.1628 114.9944 55.8422 32.1322 176.2220 105 D 4.4150 7.6992 117.2903 54.7104 40.0404 172.6513 106 S 4.7158 7.7525 108.6188 56.1772 65.7312 173.6453 107 D 4.4963 8.6874 122.5886 54.6726 41.7873 175.9650 108 D 4.7799 7.7160 118.4475 51.1803 38.7008 174.3964 109 V 4.3189 7.7568 125.3075 60.4045 33.7790 173.3695 110 P 4.5386 0.0000 0.0000 63.5139 31.9839 175.0337 111 M 5.2611 8.4821 120.5924 54.2469 34.1668 174.0834 112 V 4.5332 8.5802 119.7759 61.0312 35.2577 173.9827 113 L 4.9425 9.0085 129.8885 54.4110 43.4911 175.1755 114 V 4.5693 9.4300 127.1594 61.1309 34.1215 174.5478 115 G 3.3637 8.5027 116.0296 43.8084 0.0000 172.6031 116 N 5.0531 8.7371 126.6059 51.3541 41.5086 174.4919 117 K 3.8711 8.7010 116.5122 57.2942 29.1267 177.4021 118 C 4.3648 8.0358 112.8128 59.4867 29.3663 173.8056 119 D 4.4824 7.7924 120.0832 54.4849 39.8294 176.0551 120 L 4.3013 7.5813 120.3090 53.9601 42.5412 176.8176 121 A 4.1031 8.4400 124.1806 54.1399 19.8627 178.1585 122 A 4.3147 7.6239 121.3431 51.1495 17.4452 177.2793 123 R 4.5757 7.6218 122.1337 55.8813 31.0149 175.8489 124 T 4.3702 8.9952 115.0084 61.0816 70.2640 174.0816 125 V 4.1374 7.4915 121.9646 60.7281 32.7923 174.8079 126 E 4.1416 9.1357 128.2146 55.8987 30.2269 178.0620 127 S 4.1726 8.8554 116.5921 61.8037 62.2226 176.6465 128 R 3.8324 7.9453 120.6334 59.4739 29.8086 178.1814 129 Q 3.8948 7.7639 117.0554 59.0992 28.7154 178.9662 130 A 3.9913 7.4909 121.0152 54.9770 18.2835 179.5188 131 Q 3.9136 7.9909 116.8420 59.1959 28.8087 178.7218 132 D 4.2954 8.2455 120.1139 57.1637 40.7341 178.6204 133 L 3.5487 7.9056 120.4548 58.0386 42.1308 178.8317 134 A 4.0522 8.2398 121.0921 55.2359 18.4392 179.5539 135 R 3.8949 8.4441 117.8835 59.5487 29.9263 178.9281 136 S 4.1653 7.8048 113.0949 61.0701 62.9954 175.2948 137 Y 4.7804 7.6987 119.2495 57.5540 37.7527 176.1835 138 G 3.8125 7.9538 107.5758 46.4782 0.0000 173.1897 139 I 4.8355 7.7102 111.2631 57.7789 40.9416 173.3923 140 P 4.6104 0.0000 0.0000 62.7978 33.0456 174.5527 141 Y 5.4005 8.6292 123.0372 56.0606 41.7153 174.3043 142 I 4.2966 8.2826 126.5106 59.4142 41.4083 174.0604 143 E 4.7564 8.3205 125.9693 55.3310 30.4564 175.3646 144 T 4.8386 8.5908 113.1479 60.0684 73.3637 173.0175 145 S 4.5596 8.8870 116.0712 56.8123 64.4413 174.4575 146 A 4.1435 8.5173 131.0780 54.6740 18.6162 178.7499 147 K 2.6223 7.6443 116.5852 58.9001 32.2425 177.8430 148 T 4.0520 7.2890 105.4484 61.4068 69.6235 175.5876 149 R 3.9838 8.3920 122.6303 55.8240 30.1838 175.2454 150 Q 3.9994 7.5381 118.5611 58.4398 29.3212 177.6308 151 G 3.8887 8.8867 111.9627 46.2800 0.0000 175.3974 152 V 3.5351 7.5346 119.3024 66.1357 31.5664 177.5652 153 E 3.7088 8.0154 117.6535 59.5618 29.1971 178.9593 154 D 4.3494 7.9625 117.9834 57.2017 40.8328 178.5326 155 A 3.8524 8.1165 121.3023 55.2282 18.4372 179.7282 156 F 4.0462 7.9736 115.3959 60.9636 39.0629 177.5928 157 Y 4.2201 8.7622 116.7788 61.5662 37.7954 178.9167 158 T 3.9171 8.3533 116.8944 66.4375 68.5231 176.4573 159 L 3.9500 7.8684 122.3599 58.1215 42.1280 179.1130 160 V 3.3084 7.7871 118.1585 66.0994 31.1574 178.2300 161 R 3.9923 7.6423 116.2992 58.7368 29.6134 178.4451 162 E 4.1966 7.9690 118.5528 59.1269 29.5137 179.1158 163 I 3.8472 7.8013 120.0285 64.4475 36.9757 178.6702 164 R 4.1740 7.9581 117.7218 58.6597 29.9563 178.1038 165 Q 4.3389 7.6136 114.7406 56.4673 29.0954 175.2715 166 H 4.4939 8.0415 125.4810 56.1274 29.9650 173.8295 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 1 M 8.30 4.41 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 2 T 8.28 3.80 4.15 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 0.00 0.00 0.76 0.00 0.00 3 E 9.08 4.89 0.00 1.85 1.68 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 2.13 2.41 0.00 4 Y 8.83 4.78 0.00 2.93 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 5 K 8.88 4.84 0.00 1.70 1.73 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.39 7.81 6 L 9.09 5.06 0.00 1.64 1.62 1.13 0.63 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 7 V 8.42 4.69 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 1.11 0.00 0.00 0.69 0.00 0.00 8 V 8.19 4.80 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 0.82 0.00 0.00 1.07 0.00 0.00 9 V 10.31 4.49 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 0.84 0.00 0.00 0.96 0.00 0.00 10 G 8.27 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 11 A 7.51 4.33 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 12 G 8.51 3.72 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 0.00 0.00 0.00 13 G 9.00 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 0.00 0.00 0.00 14 V 7.16 3.76 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 0.80 0.00 0.00 1.00 0.00 0.00 15 G 8.51 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 0.00 0.00 0.00 0.00 16 K 8.57 3.88 0.00 1.83 1.91 0.00 1.84 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.50 7.81 17 N 8.14 4.27 0.00 2.78 2.81 0.00 0.00 7.03 7.95 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 18 A 7.96 3.95 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.38 4.01 0.00 1.97 1.92 0.84 0.58 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 20 T 7.75 3.67 4.08 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 0.55 0.00 0.00 21 I 7.71 3.43 1.75 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.83 0.80 0.00 0.00 22 Q 8.24 4.04 0.00 2.31 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 23 L 7.50 3.78 0.00 1.33 1.36 0.76 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.58 3.76 1.71 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 1.47 0.77 0.93 0.00 0.00 25 Q 8.49 4.26 0.00 1.88 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.06 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 26 N 8.71 4.61 0.00 2.82 2.92 0.00 0.00 7.13 7.89 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 27 H 7.37 4.95 0.00 3.24 3.24 0.00 5.76 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.84 4.83 0.00 3.14 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 29 V 6.95 4.08 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 0.76 0.00 0.00 0.93 0.00 0.00 *38 D 7.75 4.18 0.00 2.59 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 39 S 8.16 4.87 0.00 3.87 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 40 Y 8.82 4.85 0.00 2.84 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 41 R 8.65 5.69 0.00 1.64 1.81 0.00 3.18 0.00 0.00 3.80 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.44 0.00 42 K 8.59 4.57 0.00 1.76 1.58 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.38 7.81 43 Q 8.79 4.82 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.47 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 44 V 8.77 4.53 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 0.51 0.00 0.00 0.96 0.00 0.00 45 V 8.32 4.48 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 0.84 0.00 0.00 0.93 0.00 0.00 46 I 8.56 4.17 1.60 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.16 0.46 0.57 0.00 0.00 47 D 9.78 4.53 0.00 2.75 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 48 G 8.39 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 49 E 7.84 4.34 0.00 2.03 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 2.29 2.29 0.00 50 T 8.44 4.64 4.24 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 1.21 0.00 0.00 51 C 9.26 5.05 0.00 3.24 3.15 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 0.00 0.00 0.00 52 L 8.91 5.01 0.00 1.74 1.55 0.96 0.86 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 53 L 8.86 4.85 0.00 1.64 1.61 0.95 0.72 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 54 D 9.43 5.18 0.00 2.75 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 55 I 9.16 4.94 2.00 0.00 0.00 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 1.18 0.48 1.14 0.00 0.00 56 L 8.71 4.64 0.00 1.44 0.64 0.92 0.89 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 57 D 9.49 4.37 0.00 2.71 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 *72 M 8.06 4.56 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.64 0.00 73 R 8.77 3.97 0.00 2.08 2.12 0.00 3.30 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 74 T 7.26 4.61 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 1.26 0.00 0.00 75 G 8.67 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 0.00 0.00 0.00 76 E 8.67 4.46 0.00 1.85 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 2.27 2.23 0.00 77 G 7.39 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 0.00 0.00 0.00 0.00 78 F 9.18 5.37 0.00 2.92 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 79 L 9.30 4.62 0.00 1.50 1.51 0.70 -0.21 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 80 C 9.15 4.91 0.00 2.98 2.98 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 0.00 0.00 0.00 81 V 8.82 4.93 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 0.95 0.00 0.00 0.90 0.00 0.00 82 F 9.03 5.16 0.00 3.14 3.23 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 83 A 8.93 5.20 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 84 I 8.65 4.12 1.93 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.83 0.96 0.00 0.00 85 N 8.02 5.37 0.00 2.92 2.94 0.00 0.00 6.08 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 86 N 8.28 4.92 0.00 2.77 2.92 0.00 0.00 7.20 6.50 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 87 T 8.44 3.98 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 1.31 0.00 0.00 88 K 8.18 4.20 0.00 1.87 1.99 0.00 1.76 0.00 0.00 1.92 0.00 0.00 3.22 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.70 1.54 7.81 89 S 9.04 4.30 0.00 4.18 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 90 F 8.00 4.04 0.00 2.73 3.21 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 0.00 91 E 8.06 3.82 0.00 2.10 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 0.00 2.39 2.66 0.00 92 D 8.22 4.55 0.00 3.05 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 93 I 7.41 3.90 1.86 0.00 0.00 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 1.75 1.01 1.05 0.00 0.00 94 H 8.12 4.28 0.00 3.24 3.30 0.00 5.92 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 7.91 3.85 0.00 2.03 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 96 Y 7.80 3.98 0.00 3.16 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 97 R 8.11 3.72 0.00 1.55 1.55 0.00 2.25 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.31 0.00 98 E 8.05 3.80 0.00 2.07 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 0.00 2.10 2.26 0.00 99 Q 7.91 3.83 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 100 I 7.50 3.38 1.68 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.46 0.03 0.00 0.00 101 K 8.14 4.07 0.00 1.81 1.78 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.32 7.81 102 R 7.97 3.81 0.00 1.90 2.02 0.00 3.07 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 103 V 7.83 3.58 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 0.95 0.00 0.00 0.97 0.00 0.00 104 K 8.16 4.25 0.00 1.73 1.87 0.00 2.01 0.00 0.00 2.01 0.00 0.00 3.23 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.58 1.59 7.81 105 D 7.70 4.41 0.00 2.77 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 0.00 106 S 7.75 4.72 0.00 3.87 3.63 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 0.00 0.00 0.00 0.00 107 D 8.69 4.50 0.00 2.65 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 0.00 108 D 7.72 4.78 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 0.00 109 V 7.76 4.32 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 1.06 0.00 0.00 0.92 0.00 0.00 110 P 0.00 4.54 0.00 2.27 1.99 0.00 3.77 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 2.19 2.06 0.00 111 M 8.48 5.26 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.72 0.00 112 V 8.58 4.53 2.05 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 1.01 0.00 0.00 0.94 0.00 0.00 113 L 9.01 4.94 0.00 2.08 2.01 1.34 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 114 V 9.43 4.57 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 0.84 0.00 0.00 0.78 0.00 0.00 115 G 8.50 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 0.00 0.00 0.00 116 N 8.74 5.05 0.00 2.68 2.77 0.00 0.00 7.07 6.24 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 0.00 117 K 8.70 3.87 0.00 2.00 1.87 0.00 2.17 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.35 7.81 118 C 8.04 4.36 0.00 3.13 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 0.00 119 D 7.79 4.48 0.00 2.75 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 0.00 120 L 7.58 4.30 0.00 1.76 1.62 0.92 0.53 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 0.00 121 A 8.44 4.10 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 0.00 122 A 7.62 4.31 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 0.00 123 R 7.62 4.58 0.00 1.78 1.85 0.00 3.19 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 124 T 9.00 4.37 4.24 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 1.22 0.00 0.00 125 V 7.49 4.14 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 -0.23 0.00 0.00 0.78 0.00 0.00 126 E 9.14 4.14 0.00 1.94 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 2.29 2.18 0.00 127 S 8.86 4.17 0.00 3.99 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 0.00 128 R 7.95 3.83 0.00 1.89 1.87 0.00 3.24 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 129 Q 7.76 3.89 0.00 1.98 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 130 A 7.49 3.99 0.34 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 0.00 131 Q 7.99 3.91 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.56 2.67 0.00 132 D 8.25 4.30 0.00 2.78 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 0.00 133 L 7.91 3.55 0.00 1.64 1.71 0.36 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.24 4.05 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 0.00 0.00 0.00 0.00 0.00 135 R 8.44 3.89 0.00 1.90 2.10 0.00 3.10 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 136 S 7.80 4.17 0.00 3.98 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 0.00 137 Y 7.70 4.78 0.00 3.13 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 0.00 138 G 7.95 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 0.00 0.00 0.00 139 I 7.71 4.84 2.22 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.95 1.05 0.00 0.00 140 P 0.00 4.61 0.00 2.14 2.04 0.00 3.76 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 141 Y 8.63 5.40 0.00 3.09 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 0.00 142 I 8.28 4.30 1.67 0.00 0.00 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 1.12 0.52 0.74 0.00 0.00 143 E 8.32 4.76 0.00 1.67 1.73 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 2.12 2.03 0.00 144 T 8.59 4.84 4.15 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 0.00 0.00 1.08 0.00 0.00 145 S 8.89 4.56 0.00 3.75 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 A 8.52 4.14 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 0.00 147 K 7.64 2.62 0.00 0.79 1.33 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.99 0.56 7.81 148 T 7.29 4.05 4.16 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 0.00 0.00 0.00 1.09 0.00 0.00 149 R 8.39 3.98 0.00 1.99 2.10 0.00 3.17 0.00 0.00 3.06 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 150 Q 7.54 4.00 0.00 2.03 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.59 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 151 G 8.89 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 0.00 152 V 7.53 3.54 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 1.17 0.00 0.00 1.00 0.00 0.00 153 E 8.02 3.71 0.00 1.76 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 2.07 2.22 0.00 154 D 7.96 4.35 0.00 2.84 2.66 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 0.00 0.00 0.00 0.00 155 A 8.12 3.85 1.13 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 0.00 156 F 7.97 4.05 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 0.00 157 Y 8.76 4.22 0.00 3.00 2.98 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 0.00 0.00 0.00 158 T 8.35 3.92 4.46 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 1.22 0.00 0.00 159 L 7.87 3.95 0.00 1.81 1.88 0.98 0.88 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 0.00 160 V 7.79 3.31 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 0.06 0.00 0.00 0.73 0.00 0.00 161 R 7.64 3.99 0.00 1.98 1.97 0.00 3.22 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.91 0.00 162 E 7.97 4.20 0.00 2.25 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 2.53 2.52 0.00 163 I 7.80 3.85 2.11 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 1.73 0.82 1.15 0.00 0.00 164 R 7.96 4.17 0.00 1.96 2.05 0.00 3.09 0.00 0.00 3.24 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.85 0.00 165 Q 7.61 4.34 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.76 0.00 0.00 0.00 0.00 0.00 2.39 2.66 0.00 166 H 8.04 4.49 0.00 3.13 3.39 0.00 5.98 0.00 0.00 0.00 0.00 6.91 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.