NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7079 8.4249 118.1267 53.0654 40.0707 177.6482 3 K 4.2456 8.7885 126.2592 54.5637 33.4784 175.8752 4 N 4.2134 8.9988 120.0962 56.4827 38.3063 177.1556 5 I 3.6648 7.6680 121.3090 63.2376 38.0532 177.2035 6 D 4.3528 8.0960 119.4531 57.7007 40.5911 178.8576 7 T 3.8171 7.7313 115.5073 66.5185 68.4006 176.6957 8 V 3.5318 7.9402 120.4538 66.2121 31.5001 177.9171 9 R 3.7564 8.3836 117.8566 59.5603 29.9205 178.0747 10 E 3.8462 8.3579 118.8151 59.5684 29.4511 178.6191 11 I 3.6951 8.1451 119.8838 64.6649 37.4691 178.4724 12 I 3.7557 7.9923 113.7139 64.2190 37.4413 178.3443 13 T 3.7790 7.9222 117.4720 66.5535 68.3376 176.9128 14 V 3.6513 8.2496 120.1782 65.7018 31.5111 177.7515 15 A 4.0986 8.4480 120.8286 54.5446 18.2893 179.8923 16 S 4.1027 8.2262 113.9010 62.6287 62.8652 176.8065 17 I 3.7231 7.3581 120.6601 64.2555 36.6735 177.4878 18 L 3.8631 7.6598 118.9933 58.2315 41.7370 179.6122 19 I 3.5247 7.6515 119.5085 64.2885 36.9268 178.0652 20 K 4.2455 7.8758 116.6213 58.6705 33.2251 178.2317 21 F 4.0957 8.5686 119.2962 59.3695 39.0827 176.9534 22 S 4.5400 7.9634 113.9746 58.7083 64.4228 176.7899 23 R 4.5229 8.4944 120.0284 57.6693 27.7711 178.1982 24 E 4.0544 8.6151 121.3659 58.7368 29.7705 177.7994 25 D 4.3763 7.9068 118.8528 57.2005 41.1672 177.6272 26 I 4.0780 7.4056 112.2149 62.7401 38.8049 177.1891 27 V 3.4031 7.1474 120.5683 65.8199 30.9362 176.2902 28 E 2.7839 7.1616 118.1044 59.8037 29.7791 177.3330 29 N 4.4411 7.8563 120.6802 52.8833 38.8674 175.7774 30 R 3.9038 8.7260 125.6877 59.4593 30.2091 178.6369 31 A 3.9946 7.9555 119.5115 55.1118 18.5851 178.8656 32 N 4.2448 8.1727 115.0941 56.8298 39.2015 176.2682 33 F 4.2387 8.2098 121.9349 61.8650 39.4745 177.2996 34 I 3.1609 7.4165 117.5432 63.7547 36.7379 178.1934 35 A 3.9644 8.1632 121.8732 55.0964 17.8421 179.7321 36 F 3.8333 7.9375 115.6891 60.5145 38.7714 177.6045 37 L 4.1277 7.4353 117.8017 57.9202 41.4283 179.3362 38 N 4.1554 8.3227 116.4606 55.9016 38.1763 177.0540 39 E 3.7950 7.8881 120.9058 59.1073 29.8721 178.5777 40 I 4.1717 7.1186 108.9461 59.9906 38.5374 175.2508 41 G 3.6586 8.0392 108.4654 46.9267 0.0000 175.4867 42 V 3.8632 7.8399 113.7370 60.8773 30.9346 176.1166 43 T 4.7350 8.1066 120.8378 61.9394 71.4678 173.7134 44 H 4.7845 8.6969 121.8919 56.2497 32.9522 173.1290 45 E 3.7958 9.9756 124.1001 57.1457 27.0434 175.8659 46 G 3.9692 8.5351 106.1741 45.1503 0.0000 174.0837 47 R 4.6216 8.0183 119.9929 53.9460 32.0466 175.5369 48 K 4.5041 8.4202 121.8804 55.9502 33.6516 177.3343 49 L 4.2809 8.3978 123.0597 54.9684 39.4142 176.7716 50 N 4.6543 8.2670 124.2856 53.0071 41.0702 175.4214 51 Q 4.3710 8.6207 119.7953 59.6253 28.6121 178.2489 52 N 4.3988 8.3921 117.1176 57.1192 38.4300 177.2288 53 S 4.2592 7.9688 115.8118 61.2481 62.9829 176.5509 54 F 4.2000 8.6836 123.2892 61.5639 39.4975 177.0977 55 R 4.0365 7.7941 116.3433 58.8664 30.0234 179.1119 56 K 4.1381 8.1867 118.3541 59.2581 31.7582 179.0501 57 I 4.0167 7.3796 118.2652 63.2575 37.9038 177.5725 58 V 3.8979 7.5073 118.0723 65.3753 31.7370 177.5425 59 S 4.3651 8.2714 112.2233 60.6614 63.5549 175.1158 60 E 4.3914 8.1575 123.9105 54.6838 27.7845 174.9249 61 L 4.7518 7.5580 121.8294 51.9133 45.9796 176.6260 62 T 3.9103 8.5115 121.4057 63.8886 69.3704 174.9267 63 Q 4.0114 8.9260 125.4200 59.5040 28.7985 179.4316 64 E 3.9335 8.1213 118.5662 59.5736 29.3233 178.9393 65 D 4.3425 7.9752 118.2059 56.5141 41.0902 178.5422 66 K 3.7364 8.4253 120.8620 59.4459 32.2147 178.8065 67 K 3.8776 8.2895 120.1018 59.5486 32.0319 178.5673 68 T 3.8260 7.9665 116.2740 66.8861 68.3056 176.3480 69 L 3.8997 7.3215 120.1580 57.6487 41.3200 179.2144 70 I 3.7549 6.7760 118.4685 64.8167 37.1660 177.3152 71 D 4.4021 8.3238 117.1204 57.6813 41.0719 177.9840 72 E 4.0549 8.3080 118.1730 58.3087 31.3408 178.2126 73 F 4.2210 8.1777 120.0823 55.1988 37.1238 175.5557 74 N 4.2194 7.8854 122.0970 56.6274 39.3874 177.1575 75 E 3.9571 8.2303 117.6102 58.6664 30.2816 178.9046 76 G 3.7569 8.3624 105.3192 47.7746 0.0000 175.3914 77 F 4.2573 8.7818 123.8181 61.0101 39.5195 176.7735 78 E 3.9969 7.9766 118.8486 59.3618 28.8647 178.5066 79 G 3.8662 8.4977 105.8710 48.4002 0.0000 175.7208 80 V 3.6524 7.6843 119.7609 65.7577 31.6860 177.1306 81 Y 3.6968 7.8055 118.7351 61.4622 38.5476 178.6296 82 R 3.9990 8.9389 118.9068 59.5125 30.2763 178.8789 83 Y 4.0689 8.0554 115.7006 60.6425 37.9500 178.0409 84 L 4.1611 8.5627 121.3377 59.0332 40.4349 179.2816 85 E 3.9281 7.8394 118.5256 58.7546 29.3815 178.8307 86 M 3.9694 7.5546 117.3106 58.7322 32.4329 177.5771 87 Y 4.3428 8.1265 115.8433 59.8643 38.6472 176.6735 88 T 4.2673 7.8523 115.7667 60.8577 68.3692 173.5036 89 N 4.6093 8.3564 130.2091 52.7730 41.4279 175.6747 *90 K 4.1637 8.4833 118.5723 55.1187 32.5031 171.2603 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 N 8.42 4.71 0.00 2.74 2.14 0.00 0.00 6.97 6.73 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 3 K 8.79 4.25 0.00 1.91 1.73 0.00 1.67 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.50 7.81 4 N 9.00 4.21 0.00 2.95 3.13 0.00 0.00 5.70 7.58 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 5 I 7.67 3.66 1.85 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 1.76 1.15 0.90 0.00 0.00 6 D 8.10 4.35 0.00 2.95 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 7 T 7.73 3.82 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 1.19 0.00 0.00 8 V 7.94 3.53 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 1.14 0.00 0.00 1.00 0.00 0.00 9 R 8.38 3.76 0.00 2.02 1.88 0.00 3.16 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 1.51 1.68 0.00 10 E 8.36 3.85 0.00 2.16 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 0.00 2.31 2.40 0.00 11 I 8.15 3.70 1.96 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 1.63 0.68 0.88 0.00 0.00 12 I 7.99 3.76 1.98 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.43 1.17 0.00 0.00 13 T 7.92 3.78 4.34 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 1.21 0.00 0.00 14 V 8.25 3.65 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 0.99 0.00 0.00 0.98 0.00 0.00 15 A 8.45 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.23 4.10 0.00 4.12 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 17 I 7.36 3.72 2.09 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 1.59 0.81 0.66 0.00 0.00 18 L 7.66 3.86 0.00 2.03 1.65 0.76 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.65 3.52 2.01 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 1.62 1.13 0.76 0.00 0.00 20 K 7.88 4.25 0.00 1.84 1.91 0.00 1.57 0.00 0.00 1.72 0.00 0.00 3.31 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.65 1.36 7.81 21 F 8.57 4.10 0.00 3.13 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 22 S 7.96 4.54 0.00 3.79 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 23 R 8.49 4.52 0.00 2.04 1.81 0.00 3.10 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 24 E 8.62 4.05 0.00 2.09 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 0.00 2.54 2.40 0.00 25 D 7.91 4.38 0.00 2.64 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 26 I 7.41 4.08 1.88 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.36 1.00 0.00 0.00 27 V 7.15 3.40 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 0.21 0.00 0.00 0.80 0.00 0.00 28 E 7.16 2.78 0.00 2.06 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 0.00 2.34 2.43 0.00 29 N 7.86 4.44 0.00 2.87 2.78 0.00 0.00 6.88 7.67 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 30 R 8.73 3.90 0.00 1.88 2.07 0.00 3.20 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.84 0.00 31 A 7.96 3.99 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 32 N 8.17 4.24 0.00 2.90 3.08 0.00 0.00 7.23 7.88 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 33 F 8.21 4.24 0.00 3.16 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 34 I 7.42 3.16 1.57 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.70 0.27 0.00 0.00 35 A 8.16 3.96 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 36 F 7.94 3.83 0.00 3.14 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 37 L 7.44 4.13 0.00 1.81 1.70 0.92 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.32 4.16 0.00 2.68 2.82 0.00 0.00 6.55 7.11 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 39 E 7.89 3.80 0.00 2.03 1.90 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 2.16 2.25 0.00 40 I 7.12 4.17 1.86 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 1.66 0.84 0.90 0.00 0.00 41 G 8.04 3.66 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 0.00 0.00 0.00 42 V 7.84 3.86 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 0.69 0.00 0.00 1.02 0.00 0.00 43 T 8.11 4.74 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 1.25 0.00 0.00 44 H 8.70 4.78 0.00 3.10 3.09 0.00 5.73 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 45 E 9.98 3.80 0.00 2.05 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 1.85 2.13 0.00 46 G 8.54 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 0.00 0.00 0.00 47 R 8.02 4.62 0.00 1.99 1.85 0.00 3.13 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 48 K 8.42 4.50 0.00 2.05 1.81 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.42 7.81 49 L 8.40 4.28 0.00 1.98 1.88 1.07 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 50 N 8.27 4.65 0.00 2.86 2.82 0.00 0.00 7.01 7.73 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 51 Q 8.62 4.37 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.88 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 52 N 8.39 4.40 0.00 2.85 2.85 0.00 0.00 7.21 7.59 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 53 S 7.97 4.26 0.00 3.94 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 54 F 8.68 4.20 0.00 3.01 3.16 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 0.00 55 R 7.79 4.04 0.00 2.04 1.97 0.00 3.24 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.97 0.00 56 K 8.19 4.14 0.00 1.92 1.88 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.61 7.81 57 I 7.38 4.02 1.91 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.63 0.86 0.00 0.00 58 V 7.51 3.90 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 0.99 0.00 0.00 0.82 0.00 0.00 59 S 8.27 4.37 0.00 3.93 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 60 E 8.16 4.39 0.00 2.00 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 2.33 2.36 0.00 61 L 7.56 4.75 0.00 1.78 1.50 0.96 1.05 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 62 T 8.51 3.91 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 1.23 0.00 0.00 63 Q 8.93 4.01 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 64 E 8.12 3.93 0.00 2.04 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 2.39 2.45 0.00 65 D 7.98 4.34 0.00 2.66 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 66 K 8.43 3.74 0.00 1.88 1.98 0.00 1.92 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.52 1.61 7.81 67 K 8.29 3.88 0.00 1.99 1.74 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.60 7.81 68 T 7.97 3.83 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 69 L 7.32 3.90 0.00 0.42 0.84 0.65 0.56 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 70 I 6.78 3.75 1.96 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 1.48 0.42 0.89 0.00 0.00 71 D 8.32 4.40 0.00 2.70 2.83 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 72 E 8.31 4.05 0.00 2.13 1.78 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 2.28 2.45 0.00 73 F 8.18 4.22 0.00 3.42 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 74 N 7.89 4.22 0.00 2.82 2.88 0.00 0.00 6.61 7.64 0.00 0.00 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 E 8.23 3.96 0.00 2.03 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 2.39 2.34 0.00 76 G 8.36 3.76 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 77 F 8.78 4.26 0.00 3.25 3.25 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 78 E 7.98 4.00 0.00 2.07 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 2.38 0.00 79 G 8.50 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 80 V 7.68 3.65 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 1.00 0.00 0.00 1.07 0.00 0.00 81 Y 7.81 3.70 0.00 2.76 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 82 R 8.94 4.00 0.00 2.15 2.00 0.00 3.29 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00 83 Y 8.06 4.07 0.00 3.10 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 84 L 8.56 4.16 0.00 1.99 2.10 0.79 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 85 E 7.84 3.93 0.00 1.82 1.92 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 2.05 1.94 0.00 86 M 7.55 3.97 0.00 1.78 1.88 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.77 0.00 87 Y 8.13 4.34 0.00 3.11 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 88 T 7.85 4.27 4.40 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 1.42 0.00 0.00 89 N 8.36 4.61 0.00 2.71 2.81 0.00 0.00 7.07 6.68 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 *90 K 8.48 4.16 0.00 1.58 1.63 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.52 7.81 * Residues marked with a * may have inaccurate shift predictions.