NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3269 0.0000 0.0000 62.7258 32.6368 174.8128 2 Q 4.3310 8.4687 119.4517 53.7997 30.1326 172.8653 3 I 4.4420 8.1167 126.5167 59.5956 40.2948 175.3587 4 T 4.3314 8.3897 115.7182 61.1253 70.0559 174.1387 5 L 4.6811 7.5837 117.8539 54.2291 42.4390 178.1770 6 W 4.3640 8.0828 121.2782 58.7582 29.1553 176.1517 7 K 4.7677 7.7026 115.2717 53.6786 34.9359 175.8259 8 R 3.9814 8.4696 119.4989 56.5374 30.6389 176.3699 9 P 4.6534 0.0000 0.0000 61.9688 29.9851 173.9283 10 L 4.9466 7.7524 124.9814 54.8779 43.3132 176.5565 11 V 4.6237 8.8171 115.7312 59.8360 36.6220 174.5066 12 T 4.8647 8.4536 118.7389 63.0121 69.4103 174.5003 13 I 4.8588 8.9203 118.9217 59.1542 41.5358 174.2381 14 R 5.0758 8.7380 122.1883 54.5142 32.7759 175.0922 15 I 4.4686 8.8649 124.2010 60.0684 41.8179 175.0034 16 G 4.0006 9.8457 116.8691 46.5115 0.0000 174.5607 17 G 3.9407 8.5007 107.1053 44.9595 0.0000 174.1105 18 Q 4.6413 7.9166 119.0138 53.9873 30.9989 174.3589 19 L 4.9641 8.1769 120.4737 54.2115 42.8980 176.2440 20 K 4.7186 9.0238 121.6544 54.7954 37.1850 174.5497 21 E 5.0913 8.6781 122.1077 55.1908 31.0729 174.8508 22 A 4.8517 8.9331 126.6516 50.5665 23.6220 174.4631 23 L 4.8242 8.8563 122.6286 53.6754 43.8935 175.6876 24 L 4.4628 8.7502 127.5938 54.6942 42.4150 176.4268 25 D 4.7932 9.0796 125.1385 52.2187 42.4803 176.2783 26 T 3.9359 8.6964 116.5198 63.8838 69.1074 175.6961 27 G 3.8327 8.0455 109.2175 45.3736 0.0000 172.6873 28 A 4.6677 7.6798 122.6329 49.9392 20.7805 177.9872 29 D 4.4659 8.9337 122.6652 56.7323 42.3854 175.9207 30 D 5.1231 8.0014 115.9899 52.6964 45.7694 174.8454 31 T 4.9267 7.9305 117.0690 62.1640 70.6904 174.2787 32 V 4.8519 8.7462 126.0973 61.2255 34.7318 174.1658 33 I 5.0761 8.8582 128.8691 58.8716 40.5469 175.2236 34 E 4.7980 9.2126 123.9041 55.6923 30.2074 176.5574 35 E 3.8375 8.6768 119.4697 57.2392 29.9762 176.7481 *37 N 4.4908 8.5954 119.8655 53.1604 39.8831 173.7147 38 L 4.7053 7.6967 119.7674 51.7714 45.5213 174.7940 39 P 4.3046 0.0000 0.0000 64.0633 31.9425 177.4128 40 G 3.8986 8.8773 110.4593 44.7635 0.0000 173.5308 41 K 4.2568 8.3141 119.8031 54.2146 32.3629 171.7685 42 W 5.4849 7.7624 117.9077 54.3727 31.5541 174.0574 43 K 4.5720 8.7429 118.5897 54.2365 35.7130 174.0313 44 P 5.0437 0.0000 0.0000 63.2851 31.9979 176.2296 45 K 4.3025 8.6448 124.6188 55.6497 36.2970 174.9256 *47 I 4.2909 8.4586 110.8473 60.7956 38.6929 174.6312 48 G 3.3439 7.8436 109.0203 43.7075 0.0000 173.1313 49 G 3.7913 7.9370 107.3396 45.0945 0.0000 174.6442 50 I 3.7637 8.2844 122.3364 61.9984 37.7521 177.1508 51 G 4.0085 7.6700 108.1295 45.0766 0.0000 172.5349 52 G 3.8436 6.7899 104.1835 44.3769 0.0000 172.5442 53 F 5.0390 8.8005 119.4219 55.7700 41.2030 174.7565 54 I 4.8422 8.4327 116.5243 59.0556 40.7771 174.7741 55 K 4.6667 8.6137 122.5084 56.1175 33.1411 176.5855 56 V 4.6737 8.8938 116.8114 59.7696 36.8528 174.3092 57 R 4.6171 8.8084 121.4369 54.9884 32.0434 175.4768 58 Q 4.7955 9.2701 126.1048 54.9823 30.7455 173.5361 59 Y 5.0664 9.0864 125.2512 56.5672 40.1338 175.0681 60 D 5.0594 8.9246 123.6041 52.8669 43.3428 175.8446 61 Q 3.4420 8.3352 116.4276 57.2327 26.3261 174.2637 62 I 4.3958 7.8846 118.9151 59.2229 39.2110 175.1686 63 P 4.9412 0.0000 0.0000 62.6209 32.1810 176.1093 64 V 4.5643 9.0247 123.8331 61.1665 35.1320 173.3475 65 E 4.9227 9.1867 129.2769 54.3157 31.4753 176.1782 66 I 4.5722 8.8982 128.9744 61.2892 37.9334 177.4444 *68 G 3.8781 8.1206 108.7198 45.1126 0.0000 173.0209 69 H 4.8339 8.2583 118.3727 53.8153 30.6485 173.8576 70 K 4.8362 8.4828 123.1300 55.9646 33.1507 176.0291 71 A 4.9313 8.9664 124.3602 50.5190 23.3335 175.2644 72 I 4.8331 9.0689 120.2677 60.6021 40.6925 175.1599 73 G 4.0690 8.3370 114.1689 46.5510 0.0000 171.4714 74 T 4.7984 8.8074 117.3997 63.5364 69.4202 174.5045 75 V 4.4460 9.0266 126.0419 61.1022 34.6488 174.0140 76 L 5.1455 9.0014 128.2581 53.3620 44.0740 175.5862 77 V 4.7701 8.5572 123.3769 61.4279 34.3374 175.0230 78 G 3.8796 8.2614 113.7112 45.1768 0.0000 170.8425 79 P 4.9371 0.0000 0.0000 62.1211 30.1546 176.2235 80 T 4.1511 7.2597 112.9574 61.7238 68.6044 172.5726 81 P 4.4477 0.0000 0.0000 64.8656 31.7544 177.2074 82 V 4.5229 7.2402 115.3104 59.4577 34.5283 174.3059 83 N 4.8100 8.7062 119.9550 53.5385 39.7523 173.8964 84 I 4.9548 9.0431 116.6133 59.1689 41.4348 174.4141 85 I 4.4875 8.9519 126.5605 60.2045 38.6322 175.7069 86 G 4.7522 8.3645 115.8925 43.9126 0.0000 173.9409 87 R 4.0567 9.0382 118.5352 58.8326 30.2250 179.2157 88 N 4.3431 7.8186 115.1972 55.2679 37.4069 176.3886 89 L 4.4469 7.7429 117.4389 55.8996 42.6707 178.5788 90 L 4.0325 8.1871 119.8056 57.9117 41.5780 179.5339 91 T 3.9104 8.1107 109.8367 64.9638 68.3942 176.6461 92 Q 4.0620 7.7213 120.0343 58.0728 28.8166 177.6761 93 I 4.2791 7.6208 110.9492 60.4049 38.1683 176.0177 94 G 3.8076 7.9013 110.7078 47.1416 0.0000 174.3025 95 C 4.3835 7.9480 116.5408 57.3173 28.4712 176.2917 96 T 4.8048 8.0451 112.4846 59.1410 71.6465 172.9909 97 L 4.6426 8.2829 122.0412 53.5941 43.1389 176.1992 98 N 5.0243 8.4689 119.3025 51.6445 42.5111 174.4539 99 F 4.4704 8.1047 116.1807 57.4059 37.5274 173.9016 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 P 0.00 4.33 0.00 2.20 2.16 0.00 3.65 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 1.88 1.97 0.00 2 Q 8.47 4.33 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.69 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 3 I 8.12 4.44 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.79 0.91 0.00 0.00 4 T 8.39 4.33 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 1.32 0.00 0.00 5 L 7.58 4.68 0.00 1.28 1.47 0.80 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 6 W 8.08 4.36 0.00 3.31 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 7.70 4.77 0.00 1.75 1.73 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.53 7.81 8 R 8.47 3.98 0.00 1.80 1.88 0.00 3.20 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 1.63 1.64 0.00 9 P 0.00 4.65 0.00 2.10 2.19 0.00 3.66 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.97 0.00 10 L 7.75 4.95 0.00 1.55 1.63 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.82 4.62 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 12 T 8.45 4.86 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 13 I 8.92 4.86 1.94 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.75 0.91 0.00 0.00 14 R 8.74 5.08 0.00 1.74 1.84 0.00 3.10 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 15 I 8.86 4.47 1.84 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 1.09 1.55 0.87 0.00 0.00 16 G 9.85 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 17 G 8.50 3.94 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 0.00 0.00 0.00 18 Q 7.92 4.64 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.87 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 19 L 8.18 4.96 0.00 1.52 1.58 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 20 K 9.02 4.72 0.00 1.61 1.61 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.72 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.34 7.81 21 E 8.68 5.09 0.00 1.96 1.82 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 2.21 2.30 0.00 22 A 8.93 4.85 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.86 4.82 0.00 1.72 1.66 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.75 4.46 0.00 1.54 1.60 0.91 1.03 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 25 D 9.08 4.79 0.00 2.73 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 26 T 8.70 3.94 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 1.20 0.00 0.00 27 G 8.05 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 7.68 4.67 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 29 D 8.93 4.47 0.00 2.62 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.00 5.12 0.00 2.55 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 31 T 7.93 4.93 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 1.23 0.00 0.00 32 V 8.75 4.85 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 0.91 0.00 0.00 0.92 0.00 0.00 33 I 8.86 5.08 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.80 0.90 0.00 0.00 34 E 9.21 4.80 0.00 1.90 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 0.00 2.36 2.12 0.00 35 E 8.68 3.84 0.00 1.84 1.91 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 2.26 2.33 0.00 *37 N 8.60 4.49 0.00 2.73 2.81 0.00 0.00 6.80 7.85 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 38 L 7.70 4.71 0.00 0.27 1.07 0.46 0.86 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 39 P 0.00 4.30 0.00 2.06 2.01 0.00 3.56 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 2.01 2.07 0.00 40 G 8.88 3.90 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 0.00 0.00 0.00 41 K 8.31 4.26 0.00 1.79 1.61 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.81 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 0.99 7.81 42 W 7.76 5.48 0.00 2.70 1.74 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 43 K 8.74 4.57 0.00 1.78 1.80 0.00 1.31 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.32 1.42 7.81 44 P 0.00 5.04 0.00 2.03 2.17 0.00 3.64 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.26 0.00 45 K 8.64 4.30 0.00 1.86 1.59 0.00 1.97 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.44 7.81 *47 I 8.46 4.29 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.01 0.95 0.00 0.00 48 G 7.84 3.34 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 0.00 49 G 7.94 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 50 I 8.28 3.76 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.71 0.88 0.00 0.00 51 G 7.67 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 52 G 6.79 3.84 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 0.00 0.00 0.00 53 F 8.80 5.04 0.00 3.01 3.02 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 54 I 8.43 4.84 1.89 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 1.21 0.68 0.92 0.00 0.00 55 K 8.61 4.67 0.00 1.69 1.81 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.51 7.81 56 V 8.89 4.67 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.98 0.00 0.00 57 R 8.81 4.62 0.00 1.37 0.79 0.00 2.51 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.94 0.00 58 Q 9.27 4.80 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 59 Y 9.09 5.07 0.00 3.12 2.89 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 60 D 8.92 5.06 0.00 2.61 2.63 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 61 Q 8.34 3.44 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 62 I 7.88 4.40 1.98 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 1.44 1.23 0.87 0.00 0.00 63 P 0.00 4.94 0.00 1.93 1.99 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 64 V 9.02 4.56 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 0.93 0.00 0.00 0.98 0.00 0.00 65 E 9.19 4.92 0.00 2.07 1.79 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 2.23 2.27 0.00 66 I 8.90 4.57 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.67 0.91 0.00 0.00 *68 G 8.12 3.88 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 0.00 0.00 0.00 69 H 8.26 4.83 0.00 3.30 3.22 0.00 5.61 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 70 K 8.48 4.84 0.00 1.64 1.73 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.44 7.81 71 A 8.97 4.93 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 72 I 9.07 4.83 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 1.17 0.71 0.95 0.00 0.00 73 G 8.34 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 0.00 0.00 0.00 74 T 8.81 4.80 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 1.35 0.00 0.00 75 V 9.03 4.45 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 1.04 0.00 0.00 0.94 0.00 0.00 76 L 9.00 5.15 0.00 1.72 1.58 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 77 V 8.56 4.77 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 0.94 0.00 0.00 0.90 0.00 0.00 78 G 8.26 3.88 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 0.00 0.00 0.00 79 P 0.00 4.94 0.00 2.18 2.09 0.00 3.85 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 80 T 7.26 4.15 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 1.28 0.00 0.00 81 P 0.00 4.45 0.00 2.06 2.08 0.00 3.67 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 2.00 2.05 0.00 82 V 7.24 4.52 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 0.72 0.00 0.00 0.92 0.00 0.00 83 N 8.71 4.81 0.00 2.83 2.77 0.00 0.00 6.55 7.72 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 84 I 9.04 4.95 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.94 0.96 0.00 0.00 85 I 8.95 4.49 1.86 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 1.15 0.90 0.91 0.00 0.00 86 G 8.36 4.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 9.04 4.06 0.00 1.84 2.00 0.00 3.14 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 88 N 7.82 4.34 0.00 2.81 2.97 0.00 0.00 6.91 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 89 L 7.74 4.45 0.00 1.70 1.74 0.92 0.68 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 90 L 8.19 4.03 0.00 1.67 1.71 1.00 0.82 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 91 T 8.11 3.91 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 1.29 0.00 0.00 92 Q 7.72 4.06 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 93 I 7.62 4.28 1.85 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 1.83 0.52 0.93 0.00 0.00 94 G 7.90 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 95 C 7.95 4.38 0.00 2.76 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.05 4.80 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 1.20 0.00 0.00 97 L 8.28 4.64 0.00 1.71 1.74 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.47 5.02 0.00 2.65 2.63 0.00 0.00 6.81 7.45 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 99 F 8.10 4.47 0.00 3.05 2.89 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 * Residues marked with a * may have inaccurate shift predictions.