NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 R 4.2816 8.1133 120.8565 56.5033 32.6368 177.2488 7 T 3.6568 7.6988 113.9166 66.3820 68.5053 173.3833 8 E 3.9801 8.9533 121.3614 59.3088 29.8194 178.7983 9 E 3.9954 8.2760 118.8873 59.0931 29.5450 179.2425 10 V 3.2825 7.5820 117.8119 65.9724 31.4783 177.3923 11 D 4.3721 8.2799 118.9738 57.7450 40.6931 178.5281 12 H 4.1740 7.8484 118.3464 59.1481 29.9358 176.8560 13 L 3.8741 7.5345 121.7762 58.5031 41.8155 179.1194 14 F 4.6724 8.1619 117.7543 60.5652 38.5469 177.5050 15 E 3.9896 8.4363 117.8408 59.2880 29.5066 178.9294 16 A 3.9132 7.8485 120.6290 55.1941 18.3607 179.7949 17 I 3.4078 7.7007 118.2879 64.4015 36.9530 178.7174 18 L 4.0699 8.1861 119.4591 57.1529 41.4958 178.3333 19 C 4.3211 7.3765 111.9425 57.8202 30.4926 174.0242 20 L 4.2207 7.0742 122.1261 55.0710 41.7024 176.9351 21 K 4.4872 9.3662 121.3319 56.7373 34.4758 176.1448 22 N 4.9296 7.5655 114.9390 50.5493 41.1859 175.3045 23 K 4.0107 8.6135 119.9432 59.4313 32.0912 179.0063 24 E 4.1287 8.4147 119.1948 59.7044 29.4711 178.7544 25 E 4.1015 8.8438 118.4793 59.4254 29.4253 179.2069 26 C 4.3861 8.0276 116.5125 63.0232 28.2343 175.4676 27 Y 4.0889 8.1614 118.3696 61.5411 37.1747 178.7227 28 T 3.9514 8.1534 116.4402 66.8738 68.6574 176.2728 29 F 4.0023 8.5036 122.1133 61.4423 39.5724 177.5630 30 F 3.9707 8.8166 117.6100 60.3464 38.4170 177.6116 31 E 4.0527 8.1888 117.7454 59.1737 29.2308 178.9576 32 D 4.4065 7.2647 118.4445 57.3788 41.1146 178.9033 33 V 3.6032 7.1660 117.7384 62.8684 31.7514 175.8846 34 C 4.8246 7.2127 116.2870 57.8845 30.4027 173.8925 35 T 4.2558 8.7030 113.2597 61.0557 70.5940 175.9026 36 I 3.6752 8.1666 121.2683 64.8116 37.0358 178.4232 37 N 4.3632 8.1342 116.6327 56.3803 38.3150 177.1714 38 E 3.9657 8.5694 120.4061 59.3079 29.5403 179.2266 39 L 3.9395 7.9991 120.4306 58.0375 42.1481 178.9722 40 L 4.0177 8.1246 119.1074 57.7368 41.5297 179.3720 41 S 4.1118 8.4311 113.4647 61.2625 62.4470 176.0845 42 L 3.9708 8.1499 121.9066 58.0869 41.4499 179.5668 43 S 4.1583 8.1684 112.8780 61.2925 62.2164 175.9212 44 Q 3.9971 8.5827 122.7844 59.3213 28.7758 178.4994 45 R 3.9609 8.1081 119.1326 59.1427 30.0970 178.8532 46 F 4.3383 8.3156 120.1825 61.3127 39.2338 176.8150 47 E 3.8604 8.2204 117.7678 59.1669 29.5253 178.3941 48 V 3.5989 7.8675 117.3347 66.0948 31.8405 177.4396 49 A 3.8630 8.0446 120.6270 54.7928 17.9733 179.8667 50 K 3.1795 7.5390 114.3989 57.1537 31.7646 178.3929 *52 L 4.2350 7.8760 119.6629 54.4971 43.4360 179.3770 53 T 3.7997 7.6817 107.3779 64.5387 68.7138 174.9402 54 D 4.4201 7.8498 119.5807 54.1519 40.8553 176.0738 55 K 3.9107 7.9094 117.9944 57.5192 29.8443 176.2922 56 R 4.2945 7.8665 116.2746 55.6387 31.3280 177.3502 57 T 4.3544 8.1061 110.7552 61.5989 71.1460 175.3167 58 Y 4.0963 8.6492 119.2647 61.1131 37.8902 178.6926 59 L 3.9841 7.9568 120.9289 58.0325 42.3449 178.2289 60 D 4.3097 7.9929 117.5648 57.4544 41.0977 178.3270 61 I 3.6444 7.8363 120.1799 64.4133 37.0849 178.3416 62 S 4.2433 8.5178 115.5227 60.9957 62.0026 176.1104 63 E 3.9666 8.4263 120.4873 59.2104 29.2414 178.9532 64 K 4.1202 8.1339 119.2240 58.7829 32.4349 178.0861 65 T 4.4261 8.2511 107.7460 60.9698 69.9006 175.6967 66 G 3.9106 8.3409 109.5864 45.1557 0.0000 173.8840 67 A 4.0426 7.8115 123.8909 52.0774 19.0230 177.6093 68 S 4.5338 8.3476 116.9340 57.9024 65.6421 175.6981 69 T 3.8449 8.4253 118.5804 66.6893 68.1809 176.5430 70 A 4.0253 8.0365 122.1314 55.5480 18.4234 179.6552 71 T 3.7946 7.8907 113.9895 66.9373 68.4899 176.9756 72 I 3.5000 7.7961 121.8299 64.3059 36.9631 178.4558 73 S 4.1809 8.4723 114.3611 61.4699 62.2570 176.4402 74 R 3.9516 8.0591 120.7826 59.1867 29.7219 179.2630 75 V 3.6073 7.9273 118.0107 65.9398 31.6625 177.2166 76 N 4.2098 8.2961 117.1733 57.0254 38.7068 176.5607 77 R 4.1607 8.2519 119.7112 59.6946 30.1947 178.5805 78 S 4.2735 8.2960 114.8905 61.7522 62.6511 176.7124 79 L 4.1284 8.1484 120.7790 57.6258 41.4266 178.6778 80 N 4.5142 8.0040 114.5159 54.3317 38.8977 175.5583 81 Y 4.8426 8.0115 114.5899 57.3382 40.6682 176.2158 82 G 4.1794 8.0083 112.1302 45.6449 0.0000 174.8036 83 N 4.5575 8.7872 120.5068 53.1159 38.5223 175.2609 84 D 4.7069 8.3315 116.9614 55.1183 38.7604 175.8796 85 G 3.3068 7.5466 110.3620 48.9108 0.0000 175.4053 86 Y 3.8945 7.8664 117.7432 60.8363 38.0280 180.2379 87 E 4.4484 7.5289 121.2145 55.9516 29.1528 178.9741 *89 V 4.0774 7.9150 112.3214 61.1518 33.8392 178.2225 90 F 4.7255 8.2157 117.8096 60.8813 39.3247 176.8098 91 S 4.3549 8.8012 117.0883 61.9782 62.9233 177.7973 92 R 4.1459 7.6266 114.9107 56.8173 29.2523 178.5083 *94 K 4.3938 8.2011 121.0631 56.6749 33.8923 177.4775 95 E 4.0204 8.1186 116.6437 59.5247 29.4269 178.6337 96 K 3.9486 7.6804 116.0607 59.3909 32.3989 176.7826 97 E 4.1707 7.8267 122.2006 56.5537 29.3501 176.3874 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 6 R 8.11 4.28 0.00 1.85 1.88 0.00 3.15 0.00 0.00 3.33 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 7 T 7.70 3.66 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 1.21 0.00 0.00 8 E 8.95 3.98 0.00 2.03 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 2.38 2.45 0.00 9 E 8.28 4.00 0.00 2.04 1.96 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 2.30 2.43 0.00 10 V 7.58 3.28 1.87 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 0.47 0.00 0.00 0.86 0.00 0.00 11 D 8.28 4.37 0.00 2.91 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 12 H 7.85 4.17 0.00 3.21 3.41 0.00 5.62 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.53 3.87 0.00 1.70 1.60 1.09 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.16 4.67 0.00 3.20 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.44 3.99 0.00 2.21 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 2.36 2.39 0.00 16 A 7.85 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.70 3.41 2.10 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.33 1.08 0.00 0.00 18 L 8.19 4.07 0.00 1.77 1.71 0.91 0.74 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 19 C 7.38 4.32 0.00 3.05 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 20 L 7.07 4.22 0.00 1.70 1.65 0.89 1.12 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 21 K 9.37 4.49 0.00 1.78 1.82 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.48 7.81 22 N 7.57 4.93 0.00 2.98 2.90 0.00 0.00 6.29 6.42 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 23 K 8.61 4.01 0.00 1.92 2.08 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.97 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.54 1.53 7.81 24 E 8.41 4.13 0.00 2.15 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 0.00 2.43 2.55 0.00 25 E 8.84 4.10 0.00 2.24 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 2.36 2.57 0.00 26 C 8.03 4.39 0.00 3.14 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 27 Y 8.16 4.09 0.00 3.25 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 28 T 8.15 3.95 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 29 F 8.50 4.00 0.00 3.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.82 3.97 0.00 3.17 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 31 E 8.19 4.05 0.00 2.11 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 2.48 2.64 0.00 32 D 7.26 4.41 0.00 2.45 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.17 3.60 1.35 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 0.15 0.00 0.00 0.80 0.00 0.00 34 C 7.21 4.82 0.00 3.13 2.90 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 35 T 8.70 4.26 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 1.21 0.00 0.00 36 I 8.17 3.68 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.62 0.93 0.00 0.00 37 N 8.13 4.36 0.00 2.74 2.88 0.00 0.00 7.06 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 38 E 8.57 3.97 0.00 2.22 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 2.34 2.33 0.00 39 L 8.00 3.94 0.00 1.80 1.82 0.77 0.77 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 40 L 8.12 4.02 0.00 1.89 1.72 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.43 4.11 0.00 3.88 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.15 3.97 0.00 1.80 1.62 0.80 0.91 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 43 S 8.17 4.16 0.00 3.88 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 44 Q 8.58 4.00 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 45 R 8.11 3.96 0.00 2.19 2.13 0.00 3.25 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 46 F 8.32 4.34 0.00 3.25 3.30 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 0.00 47 E 8.22 3.86 0.00 2.16 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 2.29 2.31 0.00 48 V 7.87 3.60 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 0.71 0.00 0.00 0.88 0.00 0.00 49 A 8.04 3.86 0.46 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 0.00 0.00 50 K 7.54 3.18 0.00 1.40 1.66 0.00 0.93 0.00 0.00 0.61 0.00 0.00 2.68 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.15 1.21 7.81 *52 L 7.88 4.24 0.00 1.87 1.68 0.81 0.64 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 53 T 7.68 3.80 4.16 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 1.35 0.00 0.00 54 D 7.85 4.42 0.00 2.61 2.67 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 0.00 0.00 0.00 0.00 55 K 7.91 3.91 0.00 1.88 1.91 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.50 7.81 56 R 7.87 4.29 0.00 1.77 1.97 0.00 3.34 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 57 T 8.11 4.35 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 1.22 0.00 0.00 58 Y 8.65 4.10 0.00 2.99 3.10 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 59 L 7.96 3.98 0.00 1.79 1.69 0.94 1.16 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 60 D 7.99 4.31 0.00 2.87 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 I 7.84 3.64 1.92 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.66 0.77 0.00 0.00 62 S 8.52 4.24 0.00 3.89 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 63 E 8.43 3.97 0.00 1.93 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 2.35 2.47 0.00 64 K 8.13 4.12 0.00 1.72 1.81 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.16 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.60 7.81 65 T 8.25 4.43 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 1.28 0.00 0.00 66 G 8.34 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 0.00 0.00 0.00 67 A 7.81 4.04 1.21 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 0.00 0.00 68 S 8.35 4.53 0.00 4.07 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 69 T 8.43 3.84 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 1.39 0.00 0.00 70 A 8.04 4.03 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 71 T 7.89 3.79 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 1.26 0.00 0.00 72 I 7.80 3.50 1.38 0.00 0.00 0.53 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 0.66 -0.14 0.00 0.00 73 S 8.47 4.18 0.00 4.09 4.05 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 0.00 0.00 0.00 74 R 8.06 3.95 0.00 2.10 2.00 0.00 3.21 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 75 V 7.93 3.61 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 0.87 0.00 0.00 0.97 0.00 0.00 76 N 8.30 4.21 0.00 3.03 3.06 0.00 0.00 6.91 8.47 0.00 0.00 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 8.25 4.16 0.00 2.01 2.19 0.00 3.15 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 78 S 8.30 4.27 0.00 4.32 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 79 L 8.15 4.13 0.00 1.80 1.73 0.84 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.00 4.51 0.00 2.70 2.10 0.00 0.00 6.82 7.16 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 81 Y 8.01 4.84 0.00 3.06 2.90 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 82 G 8.01 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.79 4.56 0.00 2.72 2.81 0.00 0.00 6.88 8.08 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 84 D 8.33 4.71 0.00 2.85 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 85 G 7.55 3.31 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 0.00 86 Y 7.87 3.89 0.00 2.90 2.43 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 0.00 0.00 0.00 0.00 87 E 7.53 4.45 0.00 1.95 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 2.36 2.41 0.00 *89 V 7.92 4.08 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 0.80 0.00 0.00 0.99 0.00 0.00 90 F 8.22 4.73 0.00 3.28 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.80 4.35 0.00 3.90 3.96 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 92 R 7.63 4.15 0.00 2.11 1.96 0.00 3.14 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 *94 K 8.20 4.39 0.00 2.01 2.12 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.48 7.81 95 E 8.12 4.02 0.00 2.33 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 2.36 2.45 0.00 96 K 7.68 3.95 0.00 1.78 1.92 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.46 7.81 97 E 7.83 4.17 0.00 1.99 1.87 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 2.36 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.