NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3211 8.2644 123.5809 52.5031 19.8050 176.0444 2 S 4.2951 8.0579 109.0926 56.8953 65.5090 173.2905 3 A 3.5396 9.2036 126.8658 52.3798 15.9567 178.2529 4 A 5.4139 8.2137 131.0840 51.6543 22.2085 178.4918 5 K 4.5205 7.1071 115.6129 56.2385 31.6066 176.1813 6 G 3.8861 8.7175 117.5056 46.8467 0.0000 177.2234 7 D 3.4141 8.8302 115.0306 52.5707 42.3397 174.6097 8 H 3.9574 9.3370 119.5480 56.8104 28.2322 176.6808 9 G 3.7687 8.6246 107.9526 47.2558 0.0000 173.8216 10 G 3.7465 6.9301 105.3880 45.8911 0.0000 170.7759 *12 G 3.8722 7.6738 106.9916 45.4123 0.0000 172.7583 13 A 4.1255 8.6722 119.3717 55.4043 18.3025 180.0121 14 R 3.9557 8.0625 116.7018 59.8307 30.1599 178.8102 15 T 3.9168 7.8805 115.1508 66.5052 68.5992 176.7259 16 W 3.9731 8.2582 120.7660 59.3723 29.0105 178.6755 17 R 3.9188 8.3501 119.1791 59.0438 29.4321 178.1479 18 F 4.1565 8.2606 120.6272 61.5275 39.3175 177.2134 19 L 4.0019 8.2069 118.5868 57.8414 41.2843 179.6647 20 T 3.7799 7.9690 115.7651 66.7184 68.2161 176.5013 21 F 4.9300 8.0086 117.5308 59.1857 39.3043 177.5758 22 G 4.1061 8.5309 104.0878 45.0815 0.0000 173.4059 23 L 4.5287 7.6973 119.6857 56.2920 44.2053 177.8412 24 A 3.9849 8.3058 120.3656 55.3946 18.2485 179.5970 25 L 4.0028 8.5025 117.3014 57.4351 41.7284 178.1568 26 P 4.2749 0.0000 0.0000 65.5760 31.2658 178.8172 27 S 4.1129 8.0713 114.0702 61.6075 62.7484 176.9163 28 V 3.5597 7.7911 120.7334 65.7582 31.3176 178.0061 29 A 4.0132 8.2195 121.0040 54.9011 18.1609 179.6934 30 L 3.9011 8.0843 117.5813 58.3034 41.7235 179.6090 31 C 4.1937 8.1575 116.5036 62.9365 27.9587 176.3295 32 T 3.4903 7.8549 117.5782 65.8563 67.7106 176.7674 33 L 3.8994 7.3919 121.5444 58.1047 42.5467 177.9748 34 N 4.3033 8.3583 117.3556 56.8708 38.6221 176.9238 35 S 3.9997 7.7168 114.9494 60.9563 63.8591 176.3280 36 W 5.2655 7.6731 120.8467 55.6055 26.8744 175.5090 37 L 4.7850 7.4518 122.5959 57.1693 48.5639 176.2512 38 H 4.8391 8.3112 112.9048 56.6010 29.7139 177.5997 39 S 4.7209 7.3406 117.1783 55.9371 62.1338 173.5620 40 G 3.7687 9.1105 116.5647 44.4902 0.0000 172.0100 41 H 4.2276 8.7145 121.5723 56.1808 28.6817 175.4487 42 R 4.1218 8.4160 124.2353 55.2102 30.6989 176.4409 43 E 3.9147 8.8104 123.0677 56.1670 29.8913 176.8504 44 R 4.0758 8.4926 123.4266 55.4127 30.0341 174.8399 45 P 4.4534 0.0000 0.0000 62.0695 32.1457 175.9420 46 A 4.1767 8.4579 122.4887 52.5457 18.8333 177.0972 47 F 4.5928 8.8788 123.5946 57.6174 40.2585 175.0379 48 I 3.9532 7.2120 127.8269 58.5744 40.3329 174.9282 49 P 4.1562 0.0000 0.0000 61.9205 29.4958 176.3189 50 Y 4.2559 7.0387 117.5916 59.3967 38.8288 177.8977 51 H 4.4514 9.0265 120.4589 57.8432 29.2151 175.7247 52 H 4.7427 8.2960 113.3635 55.2355 28.8774 174.0535 53 L 4.7420 7.0943 118.1089 53.1139 45.0967 175.6397 54 R 3.8142 8.6216 115.5072 57.1220 27.6313 177.3895 55 I 3.8149 7.6543 116.5324 61.9126 37.8330 177.4016 56 R 4.3008 8.1398 123.1559 55.1870 31.3827 174.4684 57 T 4.3181 7.8797 111.8423 61.5694 70.2563 175.4050 58 K 4.3080 7.1376 121.0622 54.3384 34.9990 173.0585 59 P 4.2174 0.0000 0.0000 62.2360 32.3013 176.2586 60 F 3.8273 7.8105 119.0599 57.7213 39.1164 175.9945 61 S 4.5334 7.9770 118.7384 58.3607 62.7014 173.8191 62 W 5.3373 7.3652 116.8745 55.2072 32.0381 176.4137 63 G 3.7140 8.4925 108.4800 47.4279 0.0000 173.8615 64 D 4.6055 8.9232 124.3297 52.6775 39.6696 177.5925 65 G 3.7910 8.4050 107.7714 46.2182 0.0000 174.4607 66 N 4.9586 8.6661 115.9451 53.1287 40.1732 173.4401 67 H 4.8497 8.0133 114.5065 54.4680 30.9103 174.4846 68 T 3.4971 8.2606 113.8317 60.9393 69.5326 174.8558 69 F 3.1784 8.8238 124.4456 60.6022 39.3959 176.1779 70 F 5.0776 7.5033 117.0500 56.4800 39.3447 175.5066 71 H 4.0349 7.9130 120.4098 56.5922 30.4804 173.5634 72 N 4.8225 8.4204 124.8830 51.0404 39.8517 172.4994 73 P 4.3468 0.0000 0.0000 65.7736 31.6852 178.0872 74 R 4.0502 8.0112 116.9479 58.6391 29.9884 177.3212 75 V 4.4957 7.7735 106.9398 60.5895 33.6481 174.8784 76 N 4.8213 8.5848 118.1849 50.5792 38.7307 172.8597 77 P 4.1048 0.0000 0.0000 61.9189 32.3621 176.2081 78 L 4.3924 7.8925 120.1730 52.9299 42.7820 176.2654 79 P 4.2860 0.0000 0.0000 65.5734 31.1250 177.6320 80 T 4.2572 7.6834 105.6202 60.6269 69.5265 172.9527 81 G 2.0030 7.1852 108.6696 43.1919 0.0000 173.1573 82 Y 4.3003 7.5892 116.5446 57.9459 38.2718 176.3634 83 E 4.4169 8.4605 121.4646 55.1079 30.9326 177.1250 84 K 4.1506 8.4752 118.3827 57.0411 32.0573 177.2860 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 A 8.26 4.32 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 0.00 0.00 0.00 0.00 0.00 2 S 8.06 4.30 0.00 3.82 3.74 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 3 A 9.20 3.54 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 0.00 0.00 0.00 0.00 0.00 4 A 8.21 5.41 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 5 K 7.11 4.52 0.00 1.59 0.95 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.26 1.31 7.81 6 G 8.72 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 0.00 0.00 0.00 7 D 8.83 3.41 0.00 2.60 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.34 3.96 0.00 3.47 3.34 0.00 5.87 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.62 3.77 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 0.00 0.00 0.00 10 G 6.93 3.75 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 *12 G 7.67 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 13 A 8.67 4.13 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.06 3.96 0.00 1.95 2.01 0.00 3.22 0.00 0.00 3.39 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.78 0.00 15 T 7.88 3.92 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 0.77 0.00 0.00 16 W 8.26 3.97 0.00 3.45 3.29 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 17 R 8.35 3.92 0.00 2.07 2.17 0.00 3.22 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.78 0.00 18 F 8.26 4.16 0.00 3.35 3.07 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 19 L 8.21 4.00 0.00 1.77 1.61 -0.10 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.97 3.78 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 0.72 0.00 0.00 21 F 8.01 4.93 0.00 3.08 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 22 G 8.53 4.11 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 0.00 0.00 0.00 23 L 7.70 4.53 0.00 1.68 1.79 0.92 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.31 3.98 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 25 L 8.50 4.00 0.00 1.81 1.83 1.13 1.03 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 26 P 0.00 4.27 0.00 2.19 2.13 0.00 3.71 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 27 S 8.07 4.11 0.00 4.08 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 28 V 7.79 3.56 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 0.98 0.00 0.00 0.99 0.00 0.00 29 A 8.22 4.01 1.41 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 0.00 0.00 0.00 30 L 8.08 3.90 0.00 1.84 1.70 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 31 C 8.16 4.19 0.00 2.87 2.85 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 0.00 0.00 0.00 32 T 7.85 3.49 4.30 0.00 0.00 0.00 0.00 0.00 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 33 L 7.39 3.90 0.00 1.90 1.86 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.36 4.30 0.00 2.67 2.82 0.00 0.00 7.33 7.29 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 35 S 7.72 4.00 0.00 3.30 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 36 W 7.67 5.27 0.00 3.29 2.97 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 37 L 7.45 4.78 0.00 1.96 1.81 0.97 1.06 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 38 H 8.31 4.84 0.00 3.20 3.36 0.00 5.91 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.34 4.72 0.00 4.13 3.54 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 40 G 9.11 3.77 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 0.00 0.00 0.00 41 H 8.71 4.23 0.00 3.14 3.28 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 42 R 8.42 4.12 0.00 1.84 1.89 0.00 3.26 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 43 E 8.81 3.91 0.00 1.93 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 2.28 2.25 0.00 44 R 8.49 4.08 0.00 2.00 1.89 0.00 2.37 0.00 0.00 3.03 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.29 0.00 45 P 0.00 4.45 0.00 2.32 2.18 0.00 3.93 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.08 0.00 46 A 8.46 4.18 1.33 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 47 F 8.88 4.59 0.00 3.18 3.12 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 48 I 7.21 3.95 1.18 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.63 -0.19 0.00 0.00 49 P 0.00 4.16 0.00 1.98 2.05 0.00 3.09 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.96 0.00 50 Y 7.04 4.26 0.00 2.93 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 51 H 9.03 4.45 0.00 3.23 3.41 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 8.30 4.74 0.00 3.27 3.39 0.00 5.47 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.09 4.74 0.00 1.64 1.60 0.91 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 54 R 8.62 3.81 0.00 1.93 2.01 0.00 3.34 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 55 I 7.65 3.81 1.89 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 0.76 0.89 0.00 0.00 56 R 8.14 4.30 0.00 1.67 1.69 0.00 3.18 0.00 0.00 3.04 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.51 0.00 57 T 7.88 4.32 4.19 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 1.17 0.00 0.00 58 K 7.14 4.31 0.00 1.58 1.51 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.16 1.29 7.81 59 P 0.00 4.22 0.00 2.07 1.90 0.00 3.70 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.89 0.00 60 F 7.81 3.83 0.00 2.34 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 61 S 7.98 4.53 0.00 4.11 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 62 W 7.37 5.34 0.00 3.47 3.35 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 0.00 63 G 8.49 3.71 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 0.00 0.00 0.00 64 D 8.92 4.61 0.00 2.81 2.78 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 0.00 0.00 0.00 65 G 8.41 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 66 N 8.67 4.96 0.00 2.61 2.86 0.00 0.00 6.98 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 67 H 8.01 4.85 0.00 3.15 3.16 0.00 5.95 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.26 3.50 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 1.29 0.00 0.00 69 F 8.82 3.18 0.00 2.35 2.21 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 70 F 7.50 5.08 0.00 3.13 2.93 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 71 H 7.91 4.03 0.00 3.25 3.29 0.00 5.89 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.42 4.82 0.00 2.73 2.66 0.00 0.00 7.19 7.71 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 73 P 0.00 4.35 0.00 2.10 2.19 0.00 3.74 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.19 0.00 74 R 8.01 4.05 0.00 1.84 1.97 0.00 3.31 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 75 V 7.77 4.50 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 0.83 0.00 0.00 0.97 0.00 0.00 76 N 8.58 4.82 0.00 2.61 2.80 0.00 0.00 6.99 8.03 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 77 P 0.00 4.10 0.00 1.47 0.49 0.00 3.69 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.83 0.00 78 L 7.89 4.39 0.00 1.71 1.55 0.86 0.70 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 79 P 0.00 4.29 0.00 2.04 2.15 0.00 3.63 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 80 T 7.68 4.26 4.20 0.00 0.00 0.00 0.00 0.00 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 81 G 7.19 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 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.59 4.30 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 83 E 8.46 4.42 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 2.31 2.37 0.00 84 K 8.48 4.15 0.00 1.73 1.74 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.