NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9780 8.2127 109.7408 44.9997 0.0000 173.9668 3 L 3.8253 8.4260 119.3938 57.7537 41.6477 177.5050 4 L 4.0018 8.0325 119.0310 57.6565 41.6036 178.6933 5 S 4.0951 7.9964 112.6824 61.3561 62.4547 176.1277 6 R 3.9539 8.1104 120.7868 59.4041 29.8324 179.0805 7 L 4.0421 8.1645 118.7479 57.8197 41.4037 179.7280 8 R 4.2349 7.9273 116.9076 58.2850 29.9764 178.1030 9 K 4.3784 7.3308 115.6654 54.9900 32.4637 176.2956 10 R 3.8619 8.0923 117.4028 57.1390 28.2210 175.9276 11 E 4.4495 7.9866 116.6635 54.2998 30.6588 175.1710 12 P 4.3963 0.0000 0.0000 62.5027 32.0478 176.1057 13 I 3.8725 8.1453 122.0614 61.1145 37.6722 177.0361 14 S 4.4871 8.5148 120.5845 57.6261 65.2742 175.3839 15 I 3.6658 8.2988 122.5292 64.8550 36.8821 177.7877 16 Y 4.1650 8.2015 120.6135 61.2069 38.5628 178.3715 17 D 4.4007 8.2871 119.7709 57.1227 40.7866 178.8483 18 K 4.1397 8.0863 118.3556 58.8908 32.7996 178.2127 19 I 4.2276 7.3296 112.4931 60.4605 37.6256 175.9924 20 G 3.9642 7.9896 109.9971 45.0319 0.0000 175.5337 21 G 3.1653 8.2155 109.1289 45.3552 0.0000 174.4834 22 H 4.0658 8.6467 116.6938 59.6422 29.9440 178.0633 23 E 3.9509 8.1840 119.4622 59.3419 29.3263 179.0392 24 A 3.9444 7.5537 119.8358 55.2336 18.3645 179.8033 25 I 3.5849 7.5943 118.2886 64.3602 37.1569 178.4195 26 E 3.9498 8.2262 119.5628 59.4556 29.3354 179.6727 27 V 3.5636 7.5847 117.5920 65.8691 31.6050 178.0473 28 V 3.4887 7.7748 117.9914 66.2111 31.4766 178.1871 29 V 3.6588 8.0627 118.1974 65.7806 31.1896 177.5627 30 E 4.0068 8.3763 119.1693 59.4409 29.0326 178.3671 31 D 4.3043 8.1776 118.0829 57.0530 41.1842 177.5867 32 F 4.1761 8.7569 121.6330 61.9696 39.2273 176.9421 33 Y 3.4968 7.8110 115.3462 60.1888 37.3417 178.2805 34 V 3.5252 7.2674 119.0704 66.0478 31.7917 177.8847 35 R 3.9311 7.7715 117.5946 59.2597 30.0402 179.2697 36 V 3.2615 7.4110 117.9624 65.8877 31.2750 177.9757 37 L 4.1314 7.8835 116.8804 56.6751 41.5410 178.2452 38 A 4.5308 7.3216 119.1617 51.4161 19.3610 176.3538 39 D 4.6104 7.5835 118.4410 52.6493 41.2034 176.8040 40 D 4.4832 8.6969 127.1466 55.9475 39.5727 177.4318 41 Q 4.3554 8.3070 117.9933 57.3717 29.3127 176.5677 42 L 5.0366 8.2271 117.2989 55.4779 44.6159 178.7230 43 S 4.3354 8.5042 112.8125 61.3974 62.9381 176.3843 44 A 4.0392 8.1377 123.2466 54.6589 18.2812 179.2592 45 F 3.8850 8.0400 113.8954 59.8106 39.1492 176.1392 46 F 4.7520 8.2448 117.8343 56.9416 39.3090 177.1073 47 S 4.0903 7.8010 117.4628 61.2517 62.0561 175.3004 48 G 4.0398 8.0237 105.8055 45.4459 0.0000 172.7480 49 T 4.4435 7.7070 116.5022 61.6052 70.2333 175.1865 50 N 4.5572 8.4862 123.9277 53.1395 38.8332 175.3795 51 M 3.9175 8.4196 128.8147 58.1770 32.1327 178.6003 52 S 4.0851 7.9942 115.0083 61.5306 62.9268 176.7991 53 R 3.8243 8.0384 120.7197 59.4396 29.9848 177.6086 54 L 3.9198 7.7875 120.0389 58.4610 42.0013 178.8155 55 K 4.0734 8.3688 118.4808 59.6423 31.9415 179.4509 56 G 3.6934 8.0410 105.6057 47.9743 0.0000 175.9236 57 K 4.1913 8.4052 121.7190 59.1562 32.0134 179.3114 58 Q 4.2700 8.9338 120.4460 59.0689 28.9831 178.3352 59 V 3.8222 8.1992 119.5809 65.9707 31.6040 177.9457 60 E 4.0721 8.2285 118.4504 59.4237 29.4268 178.8411 61 F 3.4812 8.7474 121.0300 61.3538 39.4728 177.2502 62 F 4.0400 8.7498 117.3511 60.3192 38.7531 177.4227 63 A 4.2606 8.4262 120.3239 55.4681 18.3761 179.6427 64 A 3.8770 8.0239 118.8753 55.1047 18.1551 179.7220 65 A 3.7567 7.6248 118.5555 54.3720 18.5672 178.8284 66 L 4.5561 7.5309 115.1701 54.4378 41.8766 177.9083 67 G 4.0387 7.7224 106.8812 44.9575 0.0000 174.6476 68 G 2.4442 7.8603 109.0296 44.3433 0.0000 172.1251 69 P 4.4460 0.0000 0.0000 62.7925 32.1448 176.2708 70 E 4.1419 7.6537 119.3558 55.5841 30.0630 174.8562 71 P 4.3838 0.0000 0.0000 62.4563 32.0817 175.3957 72 Y 4.5413 8.6013 123.7277 57.4709 39.1612 175.4586 73 T 4.2183 9.0680 117.4466 61.2446 69.1295 174.7506 74 G 3.6852 5.3800 110.8305 43.4597 0.0000 173.3638 75 A 4.4711 8.1339 121.6018 50.3944 20.0712 176.2949 76 P 4.6297 0.0000 0.0000 62.4992 33.5120 177.8553 77 M 4.0482 8.6314 121.0766 58.5611 32.0334 179.0677 78 K 4.2276 7.9729 120.4605 59.0226 32.2235 178.4445 79 Q 3.9529 7.9660 118.1417 59.1852 29.1902 177.7418 80 V 3.6910 7.6343 118.0640 66.1455 32.0015 177.0337 81 H 4.5531 8.1143 114.6041 56.1822 29.2366 175.4426 82 Q 4.1102 7.5043 121.4719 57.8312 29.1736 176.9409 83 G 3.9978 8.9943 112.5774 45.6499 0.0000 173.9517 84 R 4.2822 8.0277 117.7954 55.5915 30.2478 177.0293 85 G 3.9123 8.0271 105.3318 46.5209 0.0000 173.7356 86 I 4.0129 7.2765 118.4163 60.4646 37.6531 176.4005 87 T 5.0812 8.5761 116.3957 60.4181 72.0564 175.1565 88 M 4.0333 8.4240 119.3170 58.7525 32.0961 177.2410 89 H 4.1170 7.9811 118.6583 59.6356 29.9205 176.9802 90 H 4.1248 8.0264 117.2398 58.8621 28.5980 177.2399 91 F 3.9591 8.4252 122.5583 61.5089 39.1025 177.4062 92 S 4.2062 8.6134 114.9043 61.5547 62.7937 176.4100 93 L 3.8913 7.8469 121.6795 57.9955 41.4250 179.8789 94 V 3.6428 8.0316 117.9270 65.9434 31.4285 177.8499 95 A 3.9856 8.2065 121.0383 54.9779 18.0701 179.8325 96 G 3.5044 8.1075 104.2699 48.3909 0.0000 175.7201 97 H 4.2890 8.0740 118.5170 58.2708 28.5603 177.7392 98 L 3.6774 8.2508 122.1178 58.0155 41.8960 178.8954 99 A 3.9212 8.0724 120.7436 55.1473 18.2228 179.3228 100 D 4.2590 8.4585 117.5256 57.4322 41.0609 178.8627 101 A 4.2199 8.1079 122.6773 54.6145 18.3918 179.6324 102 L 3.8485 8.0902 117.7581 58.1886 41.7186 179.7211 103 T 3.7899 8.2938 115.7662 66.8545 68.2440 176.4668 104 A 4.0259 8.1899 121.0046 54.6389 18.4290 178.5325 105 A 4.3473 7.5716 116.4897 52.0756 18.9530 178.0547 106 G 3.7908 7.8318 105.7551 45.3916 0.0000 174.0310 107 V 3.6836 7.4158 119.7394 61.4152 32.2213 174.3645 108 P 4.3514 0.0000 0.0000 62.8657 32.0509 177.4614 109 S 4.1379 8.6997 116.7879 61.6143 62.9247 176.4314 110 E 3.9477 8.1427 122.4030 59.4583 29.3092 178.7777 111 T 4.0064 7.9247 115.5904 66.3455 68.4408 176.9946 112 I 3.6938 7.5922 121.5702 64.5323 37.1574 178.3620 113 T 3.8885 7.9937 116.7460 66.5044 68.0280 176.3281 114 E 3.9447 7.7650 119.8384 59.2743 29.9542 178.6596 115 I 3.8787 8.0352 120.0719 64.4935 37.1667 178.3927 116 L 4.1408 8.4394 120.2814 57.7875 41.1452 179.8963 117 G 3.6760 7.8977 105.0184 47.4295 0.0000 175.5316 118 V 3.8791 7.6799 119.7579 65.5460 31.8882 177.7647 119 I 4.0977 7.7643 118.8086 63.7658 37.2680 177.6333 120 A 4.3007 8.5144 122.2394 55.1282 18.3231 177.9580 121 P 4.2838 0.0000 0.0000 65.1255 31.4193 178.5772 122 L 4.1153 8.4135 118.1433 57.0728 41.3708 178.8681 123 A 3.3433 7.6954 121.1589 54.6118 17.6688 179.6111 124 V 3.4225 7.1603 115.8086 66.5105 31.8638 177.6996 125 D 4.4913 7.9547 117.6593 56.7096 40.5988 178.7219 126 V 3.7130 7.5709 118.5682 64.4346 32.0703 176.4622 127 T 4.2780 7.6667 111.1577 61.4763 69.8202 175.4442 *128 S 4.2852 9.5466 121.5146 58.4281 63.0217 171.4297 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 2 G 8.21 3.98 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 0.00 0.00 0.00 3 L 8.43 3.83 0.00 2.05 1.72 0.95 0.29 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 4 L 8.03 4.00 0.00 1.74 1.70 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 5 S 8.00 4.10 0.00 3.89 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 6 R 8.11 3.95 0.00 2.09 1.98 0.00 3.20 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 7 L 8.16 4.04 0.00 1.83 1.72 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 8 R 7.93 4.23 0.00 1.96 2.00 0.00 3.15 0.00 0.00 3.23 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.93 0.00 9 K 7.33 4.38 0.00 1.97 1.82 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.69 7.81 10 R 8.09 3.86 0.00 1.90 2.00 0.00 3.15 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 11 E 7.99 4.45 0.00 2.08 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.23 0.00 12 P 0.00 4.40 0.00 2.18 2.06 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 13 I 8.15 3.87 1.88 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 1.48 0.55 0.93 0.00 0.00 14 S 8.51 4.49 0.00 4.27 4.04 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 15 I 8.30 3.67 2.05 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 1.54 0.81 0.93 0.00 0.00 16 Y 8.20 4.17 0.00 3.05 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 17 D 8.29 4.40 0.00 3.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.09 4.14 0.00 1.91 1.95 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.69 1.43 7.81 19 I 7.33 4.23 1.80 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 1.66 0.51 0.87 0.00 0.00 20 G 7.99 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.22 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 0.00 0.00 0.00 22 H 8.65 4.07 0.00 3.47 3.38 0.00 5.88 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 23 E 8.18 3.95 0.00 2.02 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 2.43 2.41 0.00 24 A 7.55 3.94 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.59 3.58 1.96 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 1.44 0.73 0.97 0.00 0.00 26 E 8.23 3.95 0.00 2.13 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 2.32 2.25 0.00 27 V 7.58 3.56 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 0.97 0.00 0.00 0.92 0.00 0.00 28 V 7.77 3.49 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 0.67 0.00 0.00 0.90 0.00 0.00 29 V 8.06 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 1.32 0.00 0.00 0.93 0.00 0.00 30 E 8.38 4.01 0.00 2.27 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 2.33 2.38 0.00 31 D 8.18 4.30 0.00 2.84 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 8.76 4.18 0.00 2.79 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 33 Y 7.81 3.50 0.00 3.08 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.27 3.53 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 0.80 0.00 0.00 0.98 0.00 0.00 35 R 7.77 3.93 0.00 1.91 1.76 0.00 3.31 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 1.62 1.77 0.00 36 V 7.41 3.26 1.49 0.00 0.00 0.00 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 0.05 0.00 0.00 37 L 7.88 4.13 0.00 1.65 1.69 0.84 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.32 4.53 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.58 4.61 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 40 D 8.70 4.48 0.00 2.86 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.31 4.36 0.00 2.40 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 42 L 8.23 5.04 0.00 1.98 1.88 1.05 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.50 4.34 0.00 4.09 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 0.00 44 A 8.14 4.04 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 45 F 8.04 3.89 0.00 2.57 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 F 8.24 4.75 0.00 3.37 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 47 S 7.80 4.09 0.00 3.83 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 48 G 8.02 4.04 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 0.00 49 T 7.71 4.44 4.52 0.00 0.00 0.00 0.00 0.00 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 50 N 8.49 4.56 0.00 2.75 2.73 0.00 0.00 7.21 7.65 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 51 M 8.42 3.92 0.00 1.85 2.01 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.69 0.00 52 S 7.99 4.09 0.00 3.95 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 53 R 8.04 3.82 0.00 1.87 2.07 0.00 3.20 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 54 L 7.79 3.92 0.00 1.76 1.63 1.05 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.37 4.07 0.00 1.82 1.96 0.00 1.80 0.00 0.00 1.52 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.96 1.57 7.81 56 G 8.04 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.41 4.19 0.00 2.06 2.15 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.74 1.65 7.81 58 Q 8.93 4.27 0.00 2.54 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 3.06 3.31 0.00 59 V 8.20 3.82 2.37 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 1.04 0.00 0.00 1.08 0.00 0.00 60 E 8.23 4.07 0.00 2.49 2.34 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 2.45 2.57 0.00 61 F 8.75 3.48 0.00 2.88 3.11 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 62 F 8.75 4.04 0.00 3.44 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 63 A 8.43 4.26 1.60 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 0.00 0.00 64 A 8.02 3.88 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.62 3.76 1.08 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 0.00 0.00 66 L 7.53 4.56 0.00 1.89 1.84 1.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.72 4.04 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 0.00 68 G 7.86 2.44 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 0.00 69 P 0.00 4.45 0.00 2.12 2.07 0.00 3.34 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.91 0.00 70 E 7.65 4.14 0.00 1.99 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 2.41 0.00 71 P 0.00 4.38 0.00 2.05 1.99 0.00 3.69 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 72 Y 8.60 4.54 0.00 2.95 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 73 T 9.07 4.22 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 1.20 0.00 0.00 74 G 5.38 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.13 4.47 1.28 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 76 P 0.00 4.63 0.00 2.23 2.06 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 77 M 8.63 4.05 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.37 0.00 78 K 7.97 4.23 0.00 1.84 1.83 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.37 7.81 79 Q 7.97 3.95 0.00 2.11 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 80 V 7.63 3.69 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 0.71 0.00 0.00 1.00 0.00 0.00 81 H 8.11 4.55 0.00 3.32 3.47 0.00 5.88 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 7.50 4.11 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.51 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 83 G 8.99 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 84 R 8.03 4.28 0.00 2.17 2.09 0.00 3.27 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 85 G 8.03 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 0.00 0.00 0.00 86 I 7.28 4.01 1.88 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 0.76 0.98 0.85 0.00 0.00 87 T 8.58 5.08 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 1.33 0.00 0.00 88 M 8.42 4.03 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.65 0.00 89 H 7.98 4.12 0.00 3.25 3.24 0.00 5.84 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 90 H 8.03 4.12 0.00 3.34 3.11 0.00 5.88 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 91 F 8.43 3.96 0.00 3.14 3.18 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 92 S 8.61 4.21 0.00 4.13 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 93 L 7.85 3.89 0.00 1.87 1.71 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 94 V 8.03 3.64 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 1.17 0.00 0.00 0.99 0.00 0.00 95 A 8.21 3.99 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 96 G 8.11 3.50 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 0.00 97 H 8.07 4.29 0.00 3.43 3.33 0.00 5.63 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.25 3.68 0.00 1.22 1.63 -0.05 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.07 3.92 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 0.00 100 D 8.46 4.26 0.00 2.92 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 A 8.11 4.22 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 0.00 102 L 8.09 3.85 0.00 1.76 1.66 0.82 0.60 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 0.00 103 T 8.29 3.79 4.43 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 1.19 0.00 0.00 104 A 8.19 4.03 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 0.00 105 A 7.57 4.35 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 7.83 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.42 3.68 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 0.75 0.00 0.00 0.87 0.00 0.00 108 P 0.00 4.35 0.00 2.20 1.96 0.00 3.63 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 109 S 8.70 4.14 0.00 4.03 4.11 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 0.00 110 E 8.14 3.95 0.00 2.05 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 2.37 2.40 0.00 111 T 7.92 4.01 4.35 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 1.20 0.00 0.00 112 I 7.59 3.69 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.81 0.87 0.00 0.00 113 T 7.99 3.89 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 1.21 0.00 0.00 114 E 7.76 3.94 0.00 2.10 2.16 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 2.33 2.36 0.00 115 I 8.04 3.88 2.00 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 1.53 0.67 0.91 0.00 0.00 116 L 8.44 4.14 0.00 1.81 1.76 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 117 G 7.90 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 0.00 118 V 7.68 3.88 2.26 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 0.89 0.00 0.00 0.99 0.00 0.00 119 I 7.76 4.10 1.96 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 1.87 1.04 1.00 0.00 0.00 120 A 8.51 4.30 1.42 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 0.00 0.00 0.00 121 P 0.00 4.28 0.00 2.19 2.11 0.00 3.71 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 122 L 8.41 4.12 0.00 1.95 1.78 1.08 0.60 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 0.00 123 A 7.70 3.34 -0.09 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 0.00 124 V 7.16 3.42 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 0.83 0.00 0.00 0.86 0.00 0.00 125 D 7.95 4.49 0.00 2.83 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 V 7.57 3.71 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 0.91 0.00 0.00 0.85 0.00 0.00 127 T 7.67 4.28 4.30 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 1.17 0.00 0.00 *128 S 9.55 4.29 0.00 3.49 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 * Residues marked with a * may have inaccurate shift predictions.