NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.2761 8.2531 123.5791 51.9990 20.8852 177.7383 4 G 3.9054 7.8249 102.0659 45.3534 0.0000 170.9452 5 V 4.0153 8.1376 124.9834 65.3204 32.2485 179.9234 6 A 4.2176 8.2531 119.1610 55.6058 17.8796 178.6680 7 A 4.1838 7.5816 115.2268 53.2570 18.5383 178.4830 8 W 4.7296 8.6855 120.2568 58.2563 30.1238 179.0018 9 L 4.1414 7.7412 121.6108 58.7245 40.2613 182.2237 10 P 4.5815 0.0000 0.0000 65.9521 30.8048 178.5375 11 F 4.4050 7.3329 116.6086 60.1382 38.9271 177.2680 12 A 4.2509 8.1046 122.6409 56.0135 18.3859 180.2401 13 R 3.7845 8.4661 119.2167 61.5651 28.4338 180.6503 14 A 4.1837 8.1907 119.7110 55.3190 18.1985 179.0426 15 A 4.0687 8.0671 116.7344 53.4743 18.4572 179.3477 16 A 3.2559 7.7198 120.3204 53.8599 18.4243 177.5443 17 I 3.5586 6.2750 117.0828 62.8236 37.1175 175.6472 18 G 4.2903 8.9468 112.9048 45.5225 0.0000 173.9208 19 W 4.3912 7.6865 117.5428 58.1995 31.3647 172.3304 20 M 2.9327 9.4245 122.6687 54.8135 29.9414 174.9144 21 P 4.7738 0.0000 0.0000 62.4369 32.0204 179.0752 22 V 3.4089 8.6758 110.5371 61.7580 30.0552 168.2804 23 A 4.2456 6.9221 128.8075 51.9150 24.9078 176.9736 24 N 4.6811 7.8216 123.4808 53.7251 40.6655 177.5355 25 C 4.8869 7.0547 109.4661 56.4625 30.2315 177.4576 26 P 4.2182 0.0000 0.0000 66.8923 31.1107 178.4418 27 M 4.2190 7.8490 115.8019 53.4414 31.7453 176.5084 28 P 4.2316 0.0000 0.0000 64.8943 32.6542 177.9726 29 L 4.9011 8.7313 116.7175 52.9864 42.5826 179.2029 30 A 4.6365 7.7608 135.0000 51.5198 17.4301 176.2533 31 P 4.7172 0.0000 0.0000 64.0320 36.8349 174.6633 32 A 4.4971 8.0713 124.0479 52.0512 20.1793 177.3141 33 D 4.1637 8.2629 124.3071 53.4996 43.0711 175.7441 34 K 4.2498 8.6216 123.8963 54.9195 31.1395 172.2717 35 N 4.1624 8.7567 125.7782 51.6559 37.0048 173.4211 36 K 4.1877 8.4702 125.4786 53.6590 33.1833 177.6580 37 R 4.5930 7.9948 116.8677 56.6806 29.4753 176.5059 38 Q 4.3795 8.3449 126.8981 55.9195 31.4145 172.5685 39 D 5.0966 8.6689 114.7397 52.6755 44.0972 175.5705 40 E 5.1062 8.6435 123.9799 54.5100 33.8513 174.8359 41 L 4.7187 8.5290 121.7863 54.1811 42.8492 176.3469 42 I 4.6452 9.2336 117.1321 59.2587 40.7279 174.6554 43 V 4.5563 8.5556 123.0649 61.5222 33.7897 174.4347 44 L 5.0656 9.4392 130.6191 53.1556 43.0358 175.4606 45 N 4.8752 9.7323 125.2309 53.3768 39.9683 173.9920 46 V 4.3387 8.8682 128.1238 61.2056 32.2745 174.7841 47 S 3.7547 8.7744 118.7941 57.9922 62.5501 171.4557 48 G 3.5888 7.5981 112.8270 46.0509 0.0000 174.9761 49 R 3.6781 7.8848 122.5726 56.0451 30.1409 176.1834 50 R 4.7351 8.1479 123.1816 54.9043 29.9784 176.1464 51 F 4.3864 9.3035 123.9977 57.2748 40.4381 174.7490 52 Q 5.1210 8.5831 120.1554 54.6842 32.0988 174.4496 53 T 4.5672 8.4997 116.2399 60.5515 71.7618 172.7279 54 W 4.8452 8.6991 125.7360 56.3472 30.2417 177.1998 55 R 3.9959 9.5840 124.3703 60.0894 29.3015 178.6630 56 T 4.0829 7.7362 109.1180 65.5844 68.5329 175.9793 57 T 4.0030 8.2707 118.3617 66.6477 68.6197 176.4047 58 L 4.2837 8.0686 120.6517 57.6570 41.5764 179.0341 59 E 4.1896 7.8175 117.2119 58.7526 29.3998 178.9032 60 R 4.1103 7.6949 117.2451 57.9006 31.1044 175.7298 61 Y 4.4095 7.7736 116.3694 54.8171 38.2232 172.9584 62 P 4.6436 0.0000 0.0000 62.3804 32.6099 176.6946 63 D 4.5943 8.8609 114.4612 53.9368 37.8485 173.4188 64 T 4.6353 6.9826 108.6820 60.7206 71.1919 175.3385 65 L 3.7242 8.1126 126.4527 58.1745 43.3397 179.0635 66 L 3.9704 8.0000 118.0230 57.6584 41.9324 179.0276 67 G 4.4382 8.2041 107.5694 47.4382 0.0000 172.8177 68 S 5.0287 7.6491 114.5885 57.4309 65.3651 173.8627 69 T 4.1152 8.4203 111.8506 64.7974 67.0610 176.8547 70 E 4.1837 8.4181 121.6675 59.5279 29.4869 178.8027 71 K 4.3145 7.9906 117.8221 59.8084 32.2827 178.2655 72 E 4.2296 8.6160 121.1825 59.3068 29.2340 178.0692 73 F 4.6540 8.5129 116.0726 58.9005 39.2735 175.4728 74 F 4.8221 8.8875 117.1788 56.9609 40.6435 174.6850 75 F 4.6440 8.3146 122.2032 57.6678 40.3258 174.1745 76 N 4.5340 7.8373 125.0668 51.7391 39.9037 174.6442 77 E 3.8587 9.0257 127.7567 59.6036 29.1504 177.4290 78 D 4.4138 7.4716 117.9939 56.4429 41.2910 177.6057 79 T 3.7318 7.7566 113.5415 62.8498 68.9302 173.9171 80 K 3.5855 7.5584 122.1204 56.5072 31.1976 174.1853 81 E 4.7347 6.7066 112.0200 54.5979 33.4591 173.5451 82 Y 4.7440 8.5322 118.9741 57.9935 39.1764 174.4546 83 F 5.2475 8.8018 126.3296 56.3234 42.2822 174.1143 84 F 4.9183 8.3936 124.2532 55.1405 42.3821 174.9912 85 D 4.3461 8.7326 123.7775 54.6026 41.5321 175.9345 86 R 4.3674 7.4496 116.8715 53.7796 32.1428 175.6584 87 D 4.4918 8.3285 118.4705 54.0351 41.5805 175.2180 88 P 4.1743 0.0000 0.0000 65.5434 32.1970 177.2238 89 E 4.1848 8.4573 119.6884 59.2513 29.9813 178.6987 90 V 3.6976 9.5962 119.6276 65.8894 32.0536 177.6468 91 F 3.4228 7.8986 121.1842 61.2109 38.8501 177.1326 92 R 3.9909 8.1962 117.7539 59.7157 29.8778 178.6811 93 C 4.1330 8.2908 116.1055 62.7827 27.9696 176.0650 94 V 3.3440 7.4570 117.9121 65.9044 31.1099 177.3336 95 L 3.7378 7.6273 119.9326 58.2709 41.8654 178.6508 96 N 4.3667 8.6867 116.4818 56.1960 38.1481 177.1273 97 F 4.5434 8.1426 123.3145 60.8541 39.5202 176.5379 98 Y 3.8756 8.2365 115.4568 60.9831 37.6812 177.1116 99 R 4.2586 7.6627 119.7828 57.3909 30.7991 176.7767 100 T 4.2541 7.0567 108.2624 60.8917 70.3290 176.1869 101 G 3.5698 8.5131 111.5986 48.1519 0.0000 174.0785 102 K 4.2612 7.5180 119.7350 55.8249 33.1449 175.9095 103 L 4.7506 8.6875 126.7854 54.2479 43.5036 174.6203 104 H 4.9697 8.8632 123.2748 54.2913 31.2078 174.0366 105 Y 4.1395 8.5048 123.3798 55.1547 38.6611 173.2791 106 P 3.7954 0.0000 0.0000 63.4554 30.3743 178.5163 107 R 3.8292 8.0114 121.5750 56.3703 28.7664 174.3254 108 Y 4.6278 7.9063 118.2528 59.2653 39.8471 176.2926 109 E 4.1173 6.6339 117.9460 55.7271 30.2883 176.5776 110 C 4.4034 8.4729 120.8513 59.4794 33.4357 173.6896 111 I 3.7622 8.6804 128.1290 65.1349 36.7520 177.8999 112 S 4.1001 8.1563 112.3323 61.9448 62.0221 176.3359 113 A 4.0705 7.7084 121.5928 54.9736 18.0865 178.1197 114 Y 4.4852 8.4228 116.3196 58.2751 39.8846 177.6650 115 D 4.1634 8.1831 119.6836 57.5742 41.2306 177.5724 116 D 4.4400 7.9276 119.3483 57.7999 40.9273 179.2720 117 E 3.9471 7.6798 118.3532 59.5413 29.5672 179.4483 118 L 3.9086 7.6324 118.5763 57.7279 41.7323 179.5233 119 A 3.9520 8.3443 121.1559 54.8769 18.0478 179.3486 120 F 4.0000 7.7022 117.8914 61.7162 39.7344 176.5686 121 Y 4.2905 7.8344 114.1545 58.2660 37.3687 176.9439 122 G 3.8001 7.4995 107.0308 45.9591 0.0000 173.1630 123 I 4.0871 7.2374 120.0091 58.9193 38.6392 175.7740 124 L 4.0728 8.4217 125.4569 54.5972 42.1221 176.4605 125 P 3.7798 0.0000 0.0000 64.8878 32.2197 176.5197 126 E 4.4957 7.5886 114.1370 55.2559 28.8757 175.8498 127 I 4.1461 7.5598 116.6385 61.8244 37.9523 177.0583 128 I 3.9065 6.7859 121.8841 60.4506 37.5281 176.7410 129 G 3.8702 8.4748 111.3437 44.6153 0.0000 174.2062 130 D 4.4786 8.5539 119.9965 57.1756 40.7761 178.5396 131 C 4.3242 8.1590 114.1869 60.8467 29.9341 174.6498 132 C 4.8593 8.0509 119.6307 61.0328 29.6163 175.8115 *133 Y 4.3884 7.9964 121.4759 60.6748 36.3531 182.0387 134 E 4.2519 8.0757 118.4314 60.6173 29.9386 178.8410 135 E 4.1811 8.1372 117.7315 59.0766 29.4924 178.4665 136 Y 3.7697 8.6170 122.0804 61.0616 39.0135 178.2686 137 K 4.0313 7.8316 123.7650 59.5979 31.7466 181.5721 138 D 4.8465 7.9853 119.3367 55.4745 40.9881 177.0038 139 R 4.6655 7.6498 117.4452 56.3989 30.1069 176.0150 140 K 4.0098 8.0455 125.6739 55.7485 32.5556 178.2271 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 A 8.25 4.28 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 4 G 7.82 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 5 V 8.14 4.02 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 0.83 0.00 0.00 0.93 0.00 0.00 6 A 8.25 4.22 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 7 A 7.58 4.18 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 8 W 8.69 4.73 0.00 3.51 3.40 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 9 L 7.74 4.14 0.00 1.70 1.68 0.92 0.79 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 10 P 0.00 4.58 0.00 1.91 2.16 0.00 3.42 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 1.51 1.79 0.00 11 F 7.33 4.40 0.00 3.33 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 12 A 8.10 4.25 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.47 3.78 0.00 1.78 1.97 0.00 3.28 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 14 A 8.19 4.18 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.07 4.07 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 16 A 7.72 3.26 0.97 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 0.00 0.00 17 I 6.27 3.56 1.88 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 1.18 0.56 0.91 0.00 0.00 18 G 8.95 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 0.00 0.00 0.00 0.00 19 W 7.69 4.39 0.00 3.60 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 20 M 9.42 2.93 0.00 1.97 1.40 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 2.23 2.25 0.00 21 P 0.00 4.77 0.00 2.35 2.09 0.00 3.70 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 22 V 8.68 3.41 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 0.71 0.00 0.00 0.93 0.00 0.00 23 A 6.92 4.25 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 24 N 7.82 4.68 0.00 2.74 2.70 0.00 0.00 6.37 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 25 C 7.05 4.89 0.00 2.68 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.22 0.00 2.15 2.22 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 27 M 7.85 4.22 0.00 1.96 2.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.14 0.00 28 P 0.00 4.23 0.00 2.01 2.12 0.00 3.57 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 29 L 8.73 4.90 0.00 1.43 1.43 0.92 0.77 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 30 A 7.76 4.64 0.99 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 31 P 0.00 4.72 0.00 2.04 1.88 0.00 3.74 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 1.73 1.46 0.00 32 A 8.07 4.50 1.22 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 0.00 0.00 33 D 8.26 4.16 0.00 2.66 2.29 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 34 K 8.62 4.25 0.00 1.76 1.67 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.29 0.98 7.81 35 N 8.76 4.16 0.00 2.73 2.75 0.00 0.00 6.78 7.44 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 36 K 8.47 4.19 0.00 1.76 1.67 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.06 7.81 37 R 7.99 4.59 0.00 1.81 1.53 0.00 3.13 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 38 Q 8.34 4.38 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.70 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 39 D 8.67 5.10 0.00 2.59 2.45 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 40 E 8.64 5.11 0.00 1.99 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 2.29 2.35 0.00 41 L 8.53 4.72 0.00 1.32 1.32 0.78 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 42 I 9.23 4.65 2.18 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 1.37 0.90 1.07 0.00 0.00 43 V 8.56 4.56 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.99 0.00 0.00 44 L 9.44 5.07 0.00 1.73 1.81 1.13 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 45 N 9.73 4.88 0.00 2.86 3.00 0.00 0.00 6.33 8.37 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 46 V 8.87 4.34 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 0.77 0.00 0.00 0.07 0.00 0.00 47 S 8.77 3.75 0.00 4.23 4.22 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 48 G 7.60 3.59 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 0.00 0.00 0.00 0.00 49 R 7.88 3.68 0.00 1.77 1.41 0.00 3.18 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 50 R 8.15 4.74 0.00 1.63 1.89 0.00 3.19 0.00 0.00 3.23 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 51 F 9.30 4.39 0.00 3.05 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 52 Q 8.58 5.12 0.00 1.84 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 53 T 8.50 4.57 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 1.24 0.00 0.00 54 W 8.70 4.85 0.00 3.54 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 9.58 4.00 0.00 2.14 2.08 0.00 3.18 0.00 0.00 3.49 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.75 0.00 56 T 7.74 4.08 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 1.36 0.00 0.00 57 T 8.27 4.00 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 1.40 0.00 0.00 58 L 8.07 4.28 0.00 1.88 1.67 0.76 0.47 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 59 E 7.82 4.19 0.00 2.13 2.06 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 2.40 2.55 0.00 60 R 7.69 4.11 0.00 2.06 2.14 0.00 3.28 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.55 0.00 61 Y 7.77 4.41 0.00 2.80 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 P 0.00 4.64 0.00 2.21 2.12 0.00 3.44 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 63 D 8.86 4.59 0.00 3.01 2.94 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 0.00 0.00 0.00 0.00 64 T 6.98 4.64 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 65 L 8.11 3.72 0.00 1.65 1.60 0.24 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.00 3.97 0.00 1.26 1.44 0.55 0.68 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 67 G 8.20 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.65 5.03 0.00 4.05 4.07 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 0.00 0.00 0.00 0.00 69 T 8.42 4.12 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 1.26 0.00 0.00 70 E 8.42 4.18 0.00 2.20 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 0.00 2.72 2.72 0.00 71 K 7.99 4.31 0.00 2.19 2.34 0.00 0.61 0.00 0.00 1.45 0.00 0.00 2.58 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.43 1.49 7.81 72 E 8.62 4.23 0.00 2.24 1.75 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 2.21 2.32 0.00 73 F 8.51 4.65 0.00 3.31 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 74 F 8.89 4.82 0.00 3.21 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 75 F 8.31 4.64 0.00 2.80 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 76 N 7.84 4.53 0.00 2.55 2.39 0.00 0.00 6.60 7.22 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 77 E 9.03 3.86 0.00 1.93 1.94 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 0.00 2.31 2.44 0.00 78 D 7.47 4.41 0.00 2.62 2.53 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 79 T 7.76 3.73 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 1.08 0.00 0.00 80 K 7.56 3.59 0.00 1.99 1.85 0.00 1.86 0.00 0.00 2.03 0.00 0.00 3.26 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.50 7.81 81 E 6.71 4.73 0.00 2.25 1.93 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 2.12 2.36 0.00 82 Y 8.53 4.74 0.00 3.24 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 83 F 8.80 5.25 0.00 2.93 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 F 8.39 4.92 0.00 2.82 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 85 D 8.73 4.35 0.00 2.92 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 86 R 7.45 4.37 0.00 1.84 1.99 0.00 3.13 0.00 0.00 2.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.72 0.00 87 D 8.33 4.49 0.00 2.80 2.61 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 88 P 0.00 4.17 0.00 2.38 2.47 0.00 3.90 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 2.07 2.00 0.00 89 E 8.46 4.18 0.00 2.19 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.58 0.00 90 V 9.60 3.70 2.30 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 1.06 0.00 0.00 1.12 0.00 0.00 91 F 7.90 3.42 0.00 3.04 2.94 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 0.00 0.00 0.00 0.00 92 R 8.20 3.99 0.00 2.35 2.10 0.00 3.33 0.00 0.00 3.67 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.08 0.00 93 C 8.29 4.13 0.00 3.13 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 94 V 7.46 3.34 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 0.19 0.00 0.00 0.53 0.00 0.00 95 L 7.63 3.74 0.00 1.37 1.63 0.70 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 96 N 8.69 4.37 0.00 3.04 2.95 0.00 0.00 6.74 8.00 0.00 0.00 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 F 8.14 4.54 0.00 2.86 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 98 Y 8.24 3.88 0.00 3.04 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 99 R 7.66 4.26 0.00 1.94 1.93 0.00 3.23 0.00 0.00 3.36 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.89 0.00 100 T 7.06 4.25 4.25 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 1.24 0.00 0.00 101 G 8.51 3.57 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 0.00 0.00 0.00 102 K 7.52 4.26 0.00 1.77 1.58 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.37 7.81 103 L 8.69 4.75 0.00 1.64 1.47 0.79 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.86 4.97 0.00 3.11 3.19 0.00 5.74 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 0.00 105 Y 8.50 4.14 0.00 2.80 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.80 0.00 0.71 1.70 0.00 3.01 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.56 0.00 107 R 8.01 3.83 0.00 1.85 1.85 0.00 3.20 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 108 Y 7.91 4.63 0.00 2.80 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 0.00 109 E 6.63 4.12 0.00 1.40 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.11 0.00 110 C 8.47 4.40 0.00 3.04 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 0.00 111 I 8.68 3.76 1.84 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.85 0.82 0.00 0.00 112 S 8.16 4.10 0.00 3.90 3.92 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 0.00 113 A 7.71 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 0.00 114 Y 8.42 4.49 0.00 3.10 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 D 8.18 4.16 0.00 2.77 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 0.00 116 D 7.93 4.44 0.00 2.95 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 0.00 117 E 7.68 3.95 0.00 2.09 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 2.48 2.59 0.00 118 L 7.63 3.91 0.00 1.64 1.67 0.25 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.34 3.95 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.70 4.00 0.00 2.83 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 0.00 121 Y 7.83 4.29 0.00 2.96 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 0.00 122 G 7.50 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 0.00 123 I 7.24 4.09 1.56 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 0.43 0.01 0.29 0.00 0.00 124 L 8.42 4.07 0.00 1.56 1.49 0.87 1.03 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 0.00 125 P 0.00 3.78 0.00 2.04 2.07 0.00 3.80 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 126 E 7.59 4.50 0.00 1.96 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 2.16 2.25 0.00 127 I 7.56 4.15 1.63 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 1.23 0.61 1.04 0.00 0.00 128 I 6.79 3.91 1.71 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.84 0.97 0.00 0.00 129 G 8.47 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 0.00 130 D 8.55 4.48 0.00 2.66 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 C 8.16 4.32 0.00 3.18 3.12 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 0.00 132 C 8.05 4.86 0.00 3.04 3.14 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 *133 Y 8.00 4.39 0.00 2.33 2.30 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 0.00 134 E 8.08 4.25 0.00 2.02 2.06 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 2.51 2.37 0.00 135 E 8.14 4.18 0.00 2.14 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 0.00 2.47 2.38 0.00 136 Y 8.62 3.77 0.00 2.80 2.94 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 0.00 0.00 0.00 0.00 137 K 7.83 4.03 0.00 1.85 1.75 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.35 7.81 138 D 7.99 4.85 0.00 2.64 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 0.00 139 R 7.65 4.67 0.00 1.90 1.93 0.00 3.08 0.00 0.00 3.46 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.54 0.00 140 K 8.05 4.01 0.00 1.75 1.55 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.21 7.81 * Residues marked with a * may have inaccurate shift predictions.