NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.3373 8.0549 120.6553 63.0224 32.5022 174.2845 3 Q 4.6266 8.9728 127.4527 53.4948 32.5795 173.3708 4 L 5.1165 8.6048 121.4443 52.9884 45.4944 175.7550 5 V 4.4293 8.5661 123.3706 61.0899 34.5216 174.1590 6 E 5.6082 8.9365 126.2708 53.5098 32.2457 175.9115 7 S 4.3557 8.6722 116.5221 57.8865 64.2381 173.8554 8 G 3.7895 8.6112 110.0194 45.1009 0.0000 172.8832 9 A 4.2390 8.2451 121.7700 52.4703 18.8391 176.7682 10 E 4.6800 8.2894 117.4716 54.6234 33.5777 175.5794 11 V 4.2952 8.3328 120.8882 61.1483 33.3540 174.9108 12 K 4.6493 8.4667 125.9818 54.3526 35.1744 175.4791 13 K 4.4383 7.7542 121.8168 54.0813 33.4522 174.4421 14 P 4.5230 0.0000 0.0000 64.5196 31.6159 177.0373 15 G 4.0958 9.1802 110.5659 45.7962 0.0000 173.4700 16 S 4.6826 7.6967 115.1273 57.3517 65.8772 172.9779 17 S 5.2980 8.4390 114.0600 56.8324 66.8617 173.8622 18 V 4.4692 8.3279 120.4802 59.8525 35.0351 174.6141 19 K 4.5233 8.4770 122.8021 54.9236 34.4811 175.4808 20 V 4.3532 8.4562 128.4251 61.9712 33.5029 174.7838 21 S 5.1262 8.4986 118.7404 56.7046 66.9341 172.4193 22 C 4.8927 8.8421 120.7091 54.9209 44.3269 172.6971 23 K 4.4336 9.2162 129.7962 55.5434 32.6575 175.4393 24 A 5.3685 8.5963 130.0287 50.3187 20.9298 175.8557 25 S 4.4244 8.4451 112.5225 58.3909 65.6536 175.6600 26 G 3.9329 9.7489 108.3929 45.9680 0.0000 172.5746 27 D 4.4338 7.3405 116.4261 53.5312 44.0619 174.2027 28 T 4.0534 8.5035 116.8722 63.6852 68.1114 174.8343 29 F 4.3564 9.4221 130.3521 61.4980 39.2461 177.1188 30 I 4.0242 8.0224 109.7030 62.2901 37.4681 176.1488 31 R 4.3552 8.2768 120.1432 56.3313 30.1791 175.4699 32 Y 4.4197 7.5643 115.2201 55.7949 41.3115 174.7690 33 S 4.7316 7.9211 115.8035 56.5743 65.8398 173.2286 34 F 4.9421 8.5923 118.9354 56.0955 42.5083 174.2857 35 T 5.1309 8.4922 117.2126 61.5725 72.4867 173.1439 36 W 4.7113 8.6616 123.2499 54.8953 32.2106 174.8556 37 V 5.0599 8.6707 123.8258 61.0320 33.8880 174.5650 38 R 4.8663 9.0430 123.5363 54.7143 32.9705 175.0482 39 Q 4.9026 8.6375 120.8462 54.6884 31.2154 174.2142 40 A 4.2628 8.7120 130.0977 50.5704 19.3686 174.4938 41 P 4.2886 0.0000 0.0000 64.5255 31.2005 177.0075 42 G 3.8599 8.9672 110.7166 45.6287 0.0000 172.4765 43 Q 4.4882 8.0214 118.8507 54.0113 30.9888 174.6011 44 G 4.0432 8.0481 107.6255 44.4116 0.0000 172.6813 45 L 4.5775 8.1713 118.5729 54.5415 42.7231 176.6364 46 E 4.7539 9.2439 122.8297 54.1515 32.8879 174.2436 47 W 4.6662 9.1361 135.0000 57.8134 31.1884 174.9970 48 M 4.3121 8.4316 126.7399 55.8602 33.7161 176.2093 49 G 3.5798 6.2262 103.5794 46.0475 0.0000 171.4795 50 R 5.2216 8.0066 119.0551 54.7179 34.2736 173.2734 51 I 4.7642 8.9997 126.0464 59.4480 40.9342 174.9703 52 I 4.0222 8.9124 131.3449 59.8886 35.6978 176.4111 52A T 3.9023 8.3363 120.7977 66.7929 68.6709 175.3171 53 I 3.8007 7.8393 119.7038 63.9113 37.9419 176.6216 54 L 4.2345 7.8547 117.5791 54.4323 42.3430 175.5302 55 D 4.4034 8.0056 117.0539 55.5561 39.9660 173.4785 56 V 4.4959 7.6141 116.8658 60.8696 34.8086 173.9436 57 A 5.0905 8.5993 128.8128 50.3888 21.4909 174.9320 58 H 4.8372 8.7138 117.9971 54.2000 32.3432 172.7707 59 Y 5.4103 8.3788 117.0084 55.9992 42.4387 174.5552 60 A 4.2617 9.0757 123.3221 51.6842 18.6057 175.8415 61 P 3.8313 0.0000 0.0000 66.6759 32.1532 177.2986 62 H 4.2679 7.9726 114.3050 57.4007 29.5301 176.1655 63 L 4.2725 9.2531 121.7440 54.5055 42.6773 176.0596 64 Q 3.2951 8.8957 115.8265 58.2411 25.6907 173.1228 65 G 4.0251 7.7945 99.9262 46.2975 0.0000 172.6927 66 R 4.1104 7.7180 119.3989 56.8710 30.6208 176.5051 67 V 4.7923 7.1722 116.5221 60.2016 34.0282 175.7303 68 T 4.4993 8.5158 118.6269 62.2808 72.8356 172.6434 69 I 5.0948 9.4163 128.6053 59.9275 38.8902 175.2852 70 T 5.0020 8.9418 116.2501 59.8744 72.4972 172.6025 71 A 5.3573 8.7218 122.5794 50.5191 22.9206 175.6371 72 D 4.7338 9.2188 119.2112 51.8201 42.4579 176.0884 73 K 4.0358 8.9593 125.3243 59.3034 32.5748 179.4568 74 S 4.1614 8.2167 112.9535 60.6346 62.3221 174.7087 75 T 4.3491 7.6819 107.0066 60.2957 69.2770 173.8193 76 S 2.0000 6.9530 115.8733 59.8150 60.9784 171.9976 77 T 4.7556 6.8281 114.6068 61.6977 72.2262 174.5526 78 V 4.7942 8.3261 125.8609 61.7368 34.2753 174.0882 79 Y 5.4114 9.5739 122.5227 56.1818 42.6885 174.0033 80 L 4.5118 8.4486 123.7937 52.9904 44.9350 174.5766 81 E 5.0328 8.8497 127.1980 54.1887 32.8466 174.1740 82 L 5.0643 8.4941 127.7591 53.4640 45.1976 175.7654 82A R 4.7785 8.5885 124.8544 52.8576 33.0640 175.5308 82B N 3.8651 7.5264 116.9025 54.6963 37.9244 174.0379 *85C L 4.1155 7.4118 123.6689 55.2485 42.1598 177.4869 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 V 8.05 4.34 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 0.76 0.00 0.00 0.94 0.00 0.00 3 Q 8.97 4.63 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.62 0.00 0.00 0.00 0.00 0.00 2.23 2.53 0.00 4 L 8.60 5.12 0.00 1.41 1.44 0.90 0.82 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 5 V 8.57 4.43 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 0.88 0.00 0.00 0.90 0.00 0.00 6 E 8.94 5.61 0.00 1.90 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 2.20 2.07 0.00 7 S 8.67 4.36 0.00 3.90 3.89 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 8 G 8.61 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 9 A 8.25 4.24 1.26 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 0.00 0.00 10 E 8.29 4.68 0.00 1.90 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 2.29 2.28 0.00 11 V 8.33 4.30 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 0.84 0.00 0.00 0.93 0.00 0.00 12 K 8.47 4.65 0.00 1.73 1.65 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.30 7.81 13 K 7.75 4.44 0.00 1.66 1.64 0.00 1.54 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.43 7.81 14 P 0.00 4.52 0.00 2.07 1.98 0.00 3.76 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 2.03 2.10 0.00 15 G 9.18 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.70 4.68 0.00 3.91 4.06 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 17 S 8.44 5.30 0.00 3.71 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 18 V 8.33 4.47 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 0.62 0.00 0.00 0.89 0.00 0.00 19 K 8.48 4.52 0.00 1.68 1.70 0.00 1.66 0.00 0.00 1.50 0.00 0.00 2.16 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.42 7.81 20 V 8.46 4.35 1.63 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 1.11 0.00 0.00 0.83 0.00 0.00 21 S 8.50 5.13 0.00 3.49 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 22 C 8.84 4.89 0.00 2.87 2.75 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 23 K 9.22 4.43 0.00 1.70 1.59 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.46 7.81 24 A 8.60 5.37 1.29 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 25 S 8.45 4.42 0.00 3.83 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 26 G 9.75 3.93 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 0.00 0.00 0.00 27 D 7.34 4.43 0.00 2.68 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 28 T 8.50 4.05 4.37 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 1.32 0.00 0.00 29 F 9.42 4.36 0.00 3.08 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 30 I 8.02 4.02 1.93 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 1.53 0.77 1.08 0.00 0.00 31 R 8.28 4.36 0.00 2.00 1.78 0.00 3.11 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 32 Y 7.56 4.42 0.00 2.26 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 0.00 0.00 0.00 0.00 33 S 7.92 4.73 0.00 3.88 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 34 F 8.59 4.94 0.00 3.04 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 35 T 8.49 5.13 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 1.20 0.00 0.00 36 W 8.66 4.71 0.00 3.20 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 37 V 8.67 5.06 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 0.97 0.00 0.00 1.02 0.00 0.00 38 R 9.04 4.87 0.00 1.93 2.05 0.00 3.02 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 39 Q 8.64 4.90 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.09 0.00 0.00 0.00 0.00 0.00 2.27 2.51 0.00 40 A 8.71 4.26 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 41 P 0.00 4.29 0.00 2.20 2.12 0.00 3.85 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 42 G 8.97 3.86 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 0.00 0.00 0.00 43 Q 8.02 4.49 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 44 G 8.05 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.17 4.58 0.00 1.61 1.69 0.96 0.80 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 46 E 9.24 4.75 0.00 2.11 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 2.29 2.31 0.00 47 W 9.14 4.67 0.00 3.32 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 48 M 8.43 4.31 0.00 2.00 2.23 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.49 0.00 49 G 6.23 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.01 5.22 0.00 2.03 1.99 0.00 3.24 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 51 I 9.00 4.76 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.42 1.15 0.00 0.00 52 I 8.91 4.02 1.88 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 1.31 0.49 0.90 0.00 0.00 52A T 8.34 3.90 4.21 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 1.06 0.00 0.00 53 I 7.84 3.80 2.06 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.63 0.90 0.00 0.00 54 L 7.85 4.23 0.00 1.76 1.71 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 55 D 8.01 4.40 0.00 2.85 2.75 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 56 V 7.61 4.50 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 0.78 0.00 0.00 0.98 0.00 0.00 57 A 8.60 5.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 H 8.71 4.84 0.00 3.19 3.27 0.00 5.76 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 8.38 5.41 0.00 2.82 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 60 A 9.08 4.26 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.83 0.00 2.06 1.99 0.00 3.73 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 62 H 7.97 4.27 0.00 3.20 3.36 0.00 5.69 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 9.25 4.27 0.00 1.60 1.62 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 8.90 3.30 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.60 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 65 G 7.79 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 0.00 0.00 0.00 66 R 7.72 4.11 0.00 1.98 1.90 0.00 3.29 0.00 0.00 3.19 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 67 V 7.17 4.79 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 0.42 0.00 0.00 0.77 0.00 0.00 68 T 8.52 4.50 4.17 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 1.24 0.00 0.00 69 I 9.42 5.09 2.05 0.00 0.00 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 1.40 0.77 1.13 0.00 0.00 70 T 8.94 5.00 4.32 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 1.25 0.00 0.00 71 A 8.72 5.36 1.45 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 0.00 0.00 72 D 9.22 4.73 0.00 2.93 2.68 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 73 K 8.96 4.04 0.00 1.95 2.02 0.00 1.82 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.85 1.66 7.81 74 S 8.22 4.16 0.00 3.85 4.12 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 75 T 7.68 4.35 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 1.18 0.00 0.00 76 S 6.95 2.00 0.00 3.83 3.64 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 0.00 0.00 0.00 0.00 77 T 6.83 4.76 4.04 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 0.00 0.00 0.71 0.00 0.00 78 V 8.33 4.79 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 1.42 0.00 0.00 0.15 0.00 0.00 79 Y 9.57 5.41 0.00 2.81 2.74 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 80 L 8.45 4.51 0.00 0.27 0.13 0.57 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.85 5.03 0.00 1.97 1.64 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 0.00 2.10 2.13 0.00 82 L 8.49 5.06 0.00 1.62 1.36 0.83 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 82A R 8.59 4.78 0.00 1.65 1.78 0.00 3.23 0.00 0.00 2.95 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.47 0.00 82B N 7.53 3.87 0.00 3.03 2.76 0.00 0.00 7.61 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *85C L 7.41 4.12 0.00 1.75 1.57 0.89 0.87 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 * Residues marked with a * may have inaccurate shift predictions.