NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 M 4.4460 8.2893 120.3497 55.0810 33.0497 175.2149 4 S 4.1356 8.3543 121.3514 56.9547 64.0379 173.4309 5 L 4.1032 8.6891 122.3581 56.8744 42.3217 179.1674 6 E 4.2871 8.1751 118.4208 59.0076 29.8742 177.6684 7 V 3.6593 7.5678 117.7867 65.9657 31.5233 177.3449 8 F 4.1137 8.4055 119.8169 61.8461 38.8364 176.9664 9 E 3.9341 8.0410 116.7260 58.8653 29.0255 179.0763 10 K 3.7976 7.5761 117.5599 58.5187 32.4979 178.6355 11 L 4.1104 7.2858 118.5365 57.5953 41.7255 178.5541 12 E 3.7317 8.0194 119.0076 58.9363 28.7967 178.3113 13 A 4.1675 7.4534 119.7383 53.9209 18.9899 179.4534 14 K 4.0023 7.9718 117.3874 59.0904 32.0709 179.7264 15 V 3.4847 7.6687 118.2563 66.1294 31.5914 177.2736 16 Q 3.8376 7.6108 119.1226 59.8222 28.6169 179.1019 17 Q 4.0441 7.6542 118.1675 58.8208 29.4311 177.7764 18 A 4.1240 8.2199 122.1523 55.3042 18.4478 179.6858 19 I 3.6891 8.0717 118.7351 64.4883 37.3423 177.9609 20 D 4.6009 8.7722 118.5182 56.2414 40.4406 177.9671 21 T 4.3470 8.0397 115.2092 64.3984 71.4373 175.9838 22 I 3.6732 7.7364 121.2662 63.9590 37.5302 178.0818 23 T 3.8719 8.8661 114.3025 65.3881 67.8513 177.3763 24 L 3.5640 5.6200 127.7258 57.9150 43.8562 176.9082 25 L 3.9517 8.6979 119.6136 58.0108 41.6110 179.4566 26 Q 3.9427 8.5327 119.7066 59.2522 28.9020 178.3136 27 M 4.0227 7.8828 119.2589 58.6127 32.0779 178.2046 28 E 3.9832 8.4163 118.8026 59.5594 29.5385 179.8074 29 I 3.6654 8.0367 119.9173 64.4347 37.1552 177.9000 30 E 3.9864 8.2968 120.1676 59.5495 29.2689 178.8018 31 E 3.9553 8.3680 118.5248 59.2272 29.5000 179.2749 32 L 4.0070 7.8152 118.8685 57.4007 41.8267 179.0318 33 K 3.8542 8.4956 120.0323 58.9733 31.8638 177.6802 34 E 4.3172 7.4975 118.1898 57.8883 30.6060 177.6605 35 K 4.0009 8.3245 119.4213 58.7468 32.1451 177.9496 36 N 4.5244 8.1744 117.3146 56.0717 39.1412 176.3778 37 N 4.4277 7.7363 117.1444 56.4177 39.0745 176.9029 38 S 4.0807 8.2535 114.9574 61.3503 62.4227 176.1246 39 L 4.0824 7.5352 120.3925 57.3237 41.4826 179.2207 40 S 4.0541 8.4672 113.8088 61.5838 62.2799 175.9619 41 Q 4.0217 8.0040 122.0798 59.1593 28.6662 178.1557 42 E 3.8955 7.9891 119.7964 59.2332 29.6153 178.7034 43 V 3.7183 8.1057 117.6124 64.8972 31.3888 176.8894 44 Q 4.0830 7.4953 117.5841 58.7441 29.1259 176.8347 45 N 4.4345 8.0502 116.5962 55.5534 38.6275 177.3036 46 A 4.0452 8.1677 122.8264 54.8042 18.4672 179.4683 47 Q 3.8998 7.6987 117.8566 59.5398 29.0901 177.6067 48 H 4.2781 8.3410 117.5510 58.3287 30.1805 176.1630 49 Q 4.2047 7.6007 120.4627 58.3361 29.4171 177.6102 50 R 3.8782 8.0248 119.0790 59.3063 30.1904 178.0267 51 E 4.2057 8.1813 115.6455 57.2785 29.2942 176.7814 52 E 4.5343 7.9017 117.0312 56.9071 30.9471 177.2774 53 L 4.0497 7.7718 118.7483 58.3437 41.6454 178.8553 54 E 3.9787 7.9394 117.9927 59.2521 29.3706 179.7624 55 R 4.0293 7.8635 118.2195 58.8673 30.5235 177.8267 56 E 3.9409 7.8098 118.1161 59.0700 29.6176 177.9186 57 N 4.2372 8.7396 117.5305 57.2146 38.8454 176.5736 58 N 4.3645 7.8896 116.8525 56.4791 38.5625 176.9010 59 H 4.1654 8.2928 119.8097 59.1137 29.9021 177.3547 60 L 3.9135 8.0786 120.8270 57.7038 41.6763 178.9664 61 K 3.9473 8.1740 119.5383 59.7857 31.9217 178.2504 62 E 3.8537 7.9905 119.4027 59.3867 29.8928 178.5238 63 Q 4.0381 8.0478 119.4275 58.9589 28.9206 178.0338 64 Q 4.2232 8.7295 120.9784 58.8558 29.0581 177.3968 65 N 4.6394 8.1826 116.5222 56.3485 38.7715 176.3887 66 G 3.5860 8.4063 108.2125 46.9330 0.0000 175.1840 67 W 4.3275 8.6071 119.9156 59.2257 28.0678 178.2947 68 Q 4.1935 8.8274 119.2461 58.2675 28.1276 177.5242 69 E 4.5085 8.1443 118.4953 58.2222 31.1079 177.7934 70 R 3.4177 8.0487 118.0832 59.4208 29.8203 177.9215 71 L 4.1004 8.5566 120.5479 57.8592 42.2033 178.3805 72 Q 4.0637 7.6040 118.1712 58.9211 29.1017 176.9400 73 A 3.9599 9.1549 123.1448 54.8695 17.9389 179.2032 74 L 3.8965 8.2622 116.0249 58.0414 41.9205 180.2605 75 L 4.1999 7.9738 118.3364 57.4265 41.7066 179.4446 76 G 3.6646 7.8909 105.2462 48.0385 0.0000 175.5884 77 R 3.9359 7.5987 119.6241 59.2683 30.0415 177.8595 78 M 4.2150 7.4826 115.9700 57.9458 32.3671 177.0875 79 E 4.3783 7.9422 116.1320 56.0256 30.3265 176.3342 80 E 4.5292 8.0777 121.2583 57.0087 29.9424 176.9931 *81 V 3.9215 8.5812 126.1307 62.0011 32.3887 174.3972 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 M 8.29 4.45 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.68 0.00 4 S 8.35 4.14 0.00 4.13 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 5 L 8.69 4.10 0.00 1.71 1.71 0.90 0.80 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 6 E 8.18 4.29 0.00 2.06 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 2.25 2.45 0.00 7 V 7.57 3.66 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 0.98 0.00 0.00 0.96 0.00 0.00 8 F 8.41 4.11 0.00 3.24 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 9 E 8.04 3.93 0.00 2.32 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 2.48 2.69 0.00 10 K 7.58 3.80 0.00 2.00 1.83 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.48 7.81 11 L 7.29 4.11 0.00 1.84 1.49 0.89 0.65 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 12 E 8.02 3.73 0.00 1.54 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 2.22 2.23 0.00 13 A 7.45 4.17 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 14 K 7.97 4.00 0.00 1.95 1.83 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.54 7.81 15 V 7.67 3.48 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 1.03 0.00 0.00 0.92 0.00 0.00 16 Q 7.61 3.84 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 17 Q 7.65 4.04 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 18 A 8.22 4.12 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 19 I 8.07 3.69 2.05 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 1.51 0.55 0.98 0.00 0.00 20 D 8.77 4.60 0.00 2.65 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 21 T 8.04 4.35 4.36 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 1.20 0.00 0.00 22 I 7.74 3.67 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 1.74 0.72 0.91 0.00 0.00 23 T 8.87 3.87 4.42 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 1.21 0.00 0.00 24 L 5.62 3.56 0.00 1.88 1.64 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.70 3.95 0.00 1.73 1.71 0.92 0.88 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 26 Q 8.53 3.94 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 27 M 7.88 4.02 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.63 0.00 28 E 8.42 3.98 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 2.33 2.50 0.00 29 I 8.04 3.67 2.03 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 1.56 0.86 0.91 0.00 0.00 30 E 8.30 3.99 0.00 2.29 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 0.00 2.31 2.41 0.00 31 E 8.37 3.96 0.00 2.19 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 2.33 2.56 0.00 32 L 7.82 4.01 0.00 1.66 1.70 0.92 1.10 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 33 K 8.50 3.85 0.00 1.93 1.94 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.47 7.81 34 E 7.50 4.32 0.00 2.39 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 0.00 2.22 2.28 0.00 35 K 8.32 4.00 0.00 1.93 1.89 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.49 7.81 36 N 8.17 4.52 0.00 2.89 2.92 0.00 0.00 6.65 6.22 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 37 N 7.74 4.43 0.00 3.13 2.79 0.00 0.00 6.81 7.43 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 38 S 8.25 4.08 0.00 3.93 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 39 L 7.54 4.08 0.00 1.92 1.69 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.47 4.05 0.00 3.85 4.02 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 41 Q 8.00 4.02 0.00 2.29 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 42 E 7.99 3.90 0.00 2.11 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 0.00 2.31 2.31 0.00 43 V 8.11 3.72 2.22 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 0.94 0.00 0.00 0.93 0.00 0.00 44 Q 7.50 4.08 0.00 2.37 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 45 N 8.05 4.43 0.00 2.84 2.86 0.00 0.00 6.88 8.85 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 46 A 8.17 4.05 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.70 3.90 0.00 2.51 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 48 H 8.34 4.28 0.00 3.17 3.42 0.00 5.99 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.60 4.20 0.00 2.45 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 50 R 8.02 3.88 0.00 2.10 1.96 0.00 3.18 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.57 0.00 51 E 8.18 4.21 0.00 2.12 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 2.32 2.24 0.00 52 E 7.90 4.53 0.00 2.15 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 2.15 2.23 0.00 53 L 7.77 4.05 0.00 1.88 1.68 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 54 E 7.94 3.98 0.00 2.03 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 2.34 2.37 0.00 55 R 7.86 4.03 0.00 1.87 1.90 0.00 3.18 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 56 E 7.81 3.94 0.00 2.16 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 0.00 2.31 2.38 0.00 57 N 8.74 4.24 0.00 2.83 2.98 0.00 0.00 7.25 6.78 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 58 N 7.89 4.36 0.00 2.97 2.87 0.00 0.00 6.74 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 59 H 8.29 4.17 0.00 3.28 3.50 0.00 5.78 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 60 L 8.08 3.91 0.00 1.90 1.70 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.17 3.95 0.00 2.00 1.85 0.00 1.52 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.54 7.81 62 E 7.99 3.85 0.00 2.28 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 2.30 2.31 0.00 63 Q 8.05 4.04 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.56 0.00 0.00 0.00 0.00 0.00 2.64 2.49 0.00 64 Q 8.73 4.22 0.00 2.13 2.20 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 2.38 2.41 0.00 65 N 8.18 4.64 0.00 2.98 2.89 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 66 G 8.41 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 67 W 8.61 4.33 0.00 3.43 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 68 Q 8.83 4.19 0.00 2.29 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 69 E 8.14 4.51 0.00 2.03 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 2.25 2.48 0.00 70 R 8.05 3.42 0.00 1.65 1.87 0.00 3.08 0.00 0.00 3.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.39 0.00 71 L 8.56 4.10 0.00 1.88 1.80 0.97 0.39 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 72 Q 7.60 4.06 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 73 A 9.15 3.96 1.24 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 0.00 0.00 74 L 8.26 3.90 0.00 1.97 1.81 1.04 0.76 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 75 L 7.97 4.20 0.00 1.86 1.89 0.94 1.04 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 76 G 7.89 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 77 R 7.60 3.94 0.00 1.84 2.15 0.00 3.26 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 78 M 7.48 4.21 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.58 0.00 79 E 7.94 4.38 0.00 2.00 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 2.33 2.34 0.00 80 E 8.08 4.53 0.00 2.04 1.12 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 2.22 2.34 0.00 *81 V 8.58 3.92 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 0.66 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.