NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.1344 8.3349 116.7833 56.8315 64.8619 169.5786 5 L 3.4818 8.0282 128.5729 52.4672 39.5131 172.3943 6 K 4.6801 9.4236 122.1910 56.0576 34.7093 176.4644 7 K 4.5995 8.2202 116.9672 56.0209 34.8849 175.7600 8 G 4.3300 7.7892 107.1261 44.9037 0.0000 173.9800 9 V 4.3157 8.7125 121.3349 63.8445 33.4839 175.0255 10 F 3.8898 8.4912 109.4607 57.6848 37.5081 176.0594 11 V 3.3844 8.5814 124.3536 62.0006 29.7590 175.0369 12 D 4.4023 8.2067 125.2641 53.8532 41.9496 178.5056 13 D 4.1830 8.7994 122.6627 57.5626 41.1767 178.1897 14 H 4.4697 8.2360 110.1317 56.6989 27.7976 176.1207 15 L 4.2415 6.6251 120.2399 55.8074 41.4587 178.1568 16 L 3.8692 7.7414 118.4302 58.3317 42.1252 178.9406 17 E 3.9055 8.2165 118.9881 59.6225 29.3164 178.9056 18 K 4.1158 7.8499 116.1720 58.1674 32.6058 178.0033 19 V 3.8281 8.0051 118.7524 65.4118 31.7903 177.8192 20 L 4.0650 10.6311 118.8257 57.7488 41.6091 179.3355 21 E 3.9957 8.1204 117.4493 59.2070 29.3177 178.8521 22 L 4.0068 7.5086 119.8767 57.5164 41.9170 178.0204 23 N 4.5334 7.9381 116.0299 54.9824 39.4215 174.3675 24 A 3.9820 7.5919 122.5042 53.2573 16.9706 178.4425 25 K 3.7210 9.0987 118.4634 56.4217 30.8467 173.8366 26 G 3.9805 7.7503 112.8773 44.9144 0.0000 173.7995 27 E 4.7486 7.9143 127.1852 55.4814 29.5758 180.0110 28 K 4.5544 8.5433 131.2680 56.8487 31.4092 176.2341 29 R 4.4522 8.7933 118.9939 58.0382 35.1947 174.5539 30 L 3.6948 7.7467 120.2372 54.1598 41.7426 176.0047 31 I 4.4473 8.0099 124.3985 59.9155 41.2709 174.2135 32 K 4.6073 8.3863 128.7379 55.8562 34.0773 175.0629 33 T 4.2948 7.0737 114.3412 61.8066 71.5577 173.2022 34 W 4.9734 9.1965 120.7233 56.4403 30.4330 176.0231 35 S 4.8169 8.2922 114.0158 58.0294 62.5408 175.9763 36 R 4.0108 8.2592 117.9544 59.2179 29.3369 177.5833 37 R 4.4113 7.9312 114.1916 56.6776 30.3580 176.0066 38 S 4.5538 8.6688 115.8344 57.7393 65.8492 173.0958 39 T 4.7933 7.6773 116.0009 62.0997 70.5902 174.5784 40 I 4.1210 8.0980 124.3576 60.6519 38.2371 175.9592 41 V 4.1573 8.1332 126.3668 60.2669 32.8810 173.3056 42 P 4.4000 0.0000 0.0000 64.4028 31.4201 176.2650 43 E 3.9775 8.9955 121.4017 56.6160 28.6237 174.9451 44 M 4.5350 7.6932 116.4014 56.1905 31.5736 176.8589 45 V 4.2609 6.6133 112.5751 61.9058 32.1580 177.5577 46 G 3.6785 8.0157 110.7734 45.7753 0.0000 174.1971 47 H 4.5816 6.7094 117.6068 53.6059 26.1191 173.6801 48 T 3.7978 7.5476 110.6383 62.5453 69.8884 174.2096 49 I 4.8799 8.5533 127.9112 58.0268 38.3631 175.4044 50 A 4.7601 8.4195 129.8080 51.9733 19.2492 176.1338 51 V 4.2520 8.3705 122.4540 61.4901 34.2447 174.3638 52 Y 5.4373 8.3160 127.2414 56.5389 39.4901 174.8850 53 N 4.8332 7.9236 117.6761 51.0222 39.0076 174.4690 54 G 3.8284 6.2171 106.1600 45.4633 0.0000 174.0244 55 K 4.2605 7.2287 118.1975 57.1721 34.2580 175.2480 56 Q 4.5628 7.2799 113.1301 55.8956 32.0910 171.3403 57 H 5.1131 8.6099 116.7258 54.5451 30.4905 175.3861 58 V 3.7768 9.0867 119.2378 60.2527 32.1318 174.7588 59 P 4.9155 0.0000 0.0000 63.0801 28.4819 174.3392 60 V 4.1677 7.6739 126.2366 61.3235 33.5760 176.2409 61 Y 4.7420 8.5598 126.8148 57.6338 40.4893 174.4046 62 I 4.3035 6.5333 120.0180 60.0618 41.2295 173.4123 63 T 4.9439 8.4454 122.8159 60.3107 70.7024 174.6567 64 E 3.6867 8.5729 124.9001 59.5168 30.4023 178.0596 65 N 4.3529 8.3822 116.4786 55.5869 38.6795 174.6683 66 M 4.8024 8.8454 116.3813 53.6669 32.2263 174.3935 67 V 4.4287 7.9064 123.4894 64.0744 37.0841 175.9774 68 G 3.6890 7.9730 105.8937 47.0349 0.0000 172.5383 69 H 4.9748 8.4343 118.9807 54.5067 30.6962 173.8950 70 K 5.3969 8.1913 118.5223 53.9354 34.0488 178.1287 71 L 4.3667 8.6076 121.9508 57.1663 42.1590 179.9391 72 G 3.7323 8.2418 107.6680 48.0394 0.0000 175.5173 73 E 3.5735 7.8864 118.7462 59.2458 29.4611 178.5992 74 F 4.2064 7.8261 114.1587 58.3748 39.3534 175.0153 75 A 4.7164 8.5346 125.6018 49.3676 20.4458 174.2672 76 P 4.5515 0.0000 0.0000 62.1718 32.4258 176.3880 77 T 3.9283 8.6884 114.0428 64.2617 69.1216 175.0623 78 R 4.4958 7.6298 119.2224 54.5401 32.0652 175.2178 79 T 4.5473 8.3486 114.8439 63.5198 71.4686 174.0967 80 Y 3.9485 8.7653 123.5663 58.2692 35.8803 167.7523 81 R 4.1634 7.2394 119.0419 54.9187 32.7950 177.5847 *82 G 3.7274 8.4076 106.7168 46.2943 0.0000 172.7776 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 4 S 8.33 4.13 0.00 3.87 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 5 L 8.03 3.48 0.00 2.02 2.06 1.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 6 K 9.42 4.68 0.00 1.82 1.85 0.00 1.54 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.30 1.37 7.81 7 K 8.22 4.60 0.00 1.71 1.86 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.46 7.81 8 G 7.79 4.33 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 0.00 9 V 8.71 4.32 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 0.83 0.00 0.00 0.95 0.00 0.00 10 F 8.49 3.89 0.00 3.33 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 11 V 8.58 3.38 1.77 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 0.60 0.00 0.00 0.85 0.00 0.00 12 D 8.21 4.40 0.00 2.66 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.80 4.18 0.00 2.74 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 14 H 8.24 4.47 0.00 3.30 3.41 0.00 5.51 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 6.63 4.24 0.00 1.60 1.53 0.90 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.74 3.87 0.00 1.69 1.72 0.88 0.71 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 17 E 8.22 3.91 0.00 2.11 2.03 0.00 0.00 0.00 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 2.36 0.00 18 K 7.85 4.12 0.00 1.92 1.85 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.13 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.53 7.81 19 V 8.01 3.83 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 0.91 0.00 0.00 0.87 0.00 0.00 20 L 10.63 4.06 0.00 1.71 1.68 0.90 0.78 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 21 E 8.12 4.00 0.00 2.21 2.33 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 2.41 2.29 0.00 22 L 7.51 4.01 0.00 1.93 1.71 0.94 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.94 4.53 0.00 2.80 3.13 0.00 0.00 7.16 7.36 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 24 A 7.59 3.98 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 25 K 9.10 3.72 0.00 2.06 1.96 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.41 7.81 26 G 7.75 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 27 E 7.91 4.75 0.00 1.93 1.27 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 2.22 2.36 0.00 28 K 8.54 4.55 0.00 1.74 1.62 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.37 7.81 29 R 8.79 4.45 0.00 1.84 2.01 0.00 3.13 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.62 0.00 30 L 7.75 3.69 0.00 1.62 1.66 0.92 0.88 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 31 I 8.01 4.45 1.90 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 1.19 1.09 0.92 0.00 0.00 32 K 8.39 4.61 0.00 1.42 1.08 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.63 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.19 1.30 7.81 33 T 7.07 4.29 4.27 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 0.00 0.00 1.19 0.00 0.00 34 W 9.20 4.97 0.00 3.35 3.06 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 0.00 0.00 0.00 35 S 8.29 4.82 0.00 4.05 4.15 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 36 R 8.26 4.01 0.00 2.10 2.34 0.00 3.07 0.00 0.00 3.50 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.74 0.00 37 R 7.93 4.41 0.00 2.09 2.20 0.00 3.28 0.00 0.00 3.41 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 38 S 8.67 4.55 0.00 3.76 4.03 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.68 4.79 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 1.22 0.00 0.00 40 I 8.10 4.12 2.16 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.79 0.92 0.00 0.00 41 V 8.13 4.16 2.03 0.00 0.00 0.00 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 0.86 0.00 0.00 42 P 0.00 4.40 0.00 2.06 1.97 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 43 E 9.00 3.98 0.00 2.14 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 2.22 2.29 0.00 44 M 7.69 4.54 0.00 2.00 2.19 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 2.59 2.49 0.00 45 V 6.61 4.26 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 0.92 0.00 0.00 0.85 0.00 0.00 46 G 8.02 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 47 H 6.71 4.58 0.00 3.24 3.16 0.00 5.69 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 48 T 7.55 3.80 4.33 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 1.25 0.00 0.00 49 I 8.55 4.88 1.80 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.65 0.91 0.00 0.00 50 A 8.42 4.76 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 51 V 8.37 4.25 2.12 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 1.02 0.00 0.00 1.01 0.00 0.00 52 Y 8.32 5.44 0.00 2.54 2.79 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 53 N 7.92 4.83 0.00 2.77 2.73 0.00 0.00 6.23 7.00 0.00 0.00 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 G 6.22 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 55 K 7.23 4.26 0.00 1.55 1.63 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.26 1.40 7.81 56 Q 7.28 4.56 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.54 0.00 0.00 0.00 0.00 0.00 2.17 2.29 0.00 57 H 8.61 5.11 0.00 3.00 3.17 0.00 5.70 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 9.09 3.78 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 0.66 0.00 0.00 1.02 0.00 0.00 59 P 0.00 4.92 0.00 2.08 2.10 0.00 3.76 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 60 V 7.67 4.17 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 0.70 0.00 0.00 0.88 0.00 0.00 61 Y 8.56 4.74 0.00 2.91 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 6.53 4.30 1.61 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.75 0.68 0.00 0.00 63 T 8.45 4.94 4.62 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 1.41 0.00 0.00 64 E 8.57 3.69 0.00 2.13 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 0.00 2.31 2.42 0.00 65 N 8.38 4.35 0.00 2.79 3.03 0.00 0.00 6.78 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 66 M 8.85 4.80 0.00 2.34 2.49 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.75 0.00 67 V 7.91 4.43 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 1.06 0.00 0.00 1.02 0.00 0.00 68 G 7.97 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 69 H 8.43 4.97 0.00 3.55 3.48 0.00 5.59 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.19 5.40 0.00 1.86 2.04 0.00 2.04 0.00 0.00 1.98 0.00 0.00 3.35 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.51 1.65 7.81 71 L 8.61 4.37 0.00 1.77 1.77 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.24 3.73 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 0.00 0.00 0.00 73 E 7.89 3.57 0.00 1.77 1.68 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 2.30 2.32 0.00 74 F 7.83 4.21 0.00 3.42 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 75 A 8.53 4.72 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 76 P 0.00 4.55 0.00 2.18 2.06 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 77 T 8.69 3.93 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 1.22 0.00 0.00 78 R 7.63 4.50 0.00 1.83 1.94 0.00 3.17 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 79 T 8.35 4.55 4.27 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 0.00 0.00 1.26 0.00 0.00 80 Y 8.77 3.95 0.00 2.88 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 81 R 7.24 4.16 0.00 1.78 1.82 0.00 3.46 0.00 0.00 3.38 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 *82 G 8.41 3.73 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.