NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.3950 8.3349 115.2904 58.4774 63.3808 173.3748 6 D 4.5777 8.4082 123.3178 53.5434 41.5421 175.7055 7 K 4.2128 8.1353 119.3400 56.2119 33.2103 176.8969 8 L 3.9894 8.0689 120.3357 56.0358 42.4678 176.0580 9 Y 5.1394 7.2808 115.0372 56.1750 42.3872 174.2897 10 R 5.2781 8.7000 120.9403 54.8341 33.5701 174.6607 11 V 4.9893 8.4423 124.1916 60.1994 34.6031 174.2257 12 E 4.5524 8.4373 119.2539 55.8530 33.3345 174.1117 13 Y 4.7728 8.3251 118.1027 57.1822 39.0121 175.4713 14 A 3.6655 8.9499 126.4388 52.2645 18.7562 178.7756 15 K 3.3853 8.6956 123.0258 59.0451 32.4023 176.6744 16 S 4.6160 7.5766 111.6953 57.0757 66.1003 174.0823 17 G 4.5299 8.5126 106.4447 45.7856 0.0000 174.6390 18 R 4.1761 8.4182 119.7994 57.1621 30.9997 177.0971 19 A 4.1935 7.7859 120.4255 52.2166 19.5357 176.4153 20 S 5.0613 8.5024 118.0651 56.8690 64.6840 173.8032 21 C 4.1695 8.7773 125.8323 59.5385 31.6129 174.5533 22 K 3.6388 8.2703 126.7831 59.4358 31.8226 178.4617 23 K 4.1311 7.7692 118.9853 58.9583 32.1101 177.2352 24 C 4.3898 8.0049 111.7904 57.7930 30.5677 175.2874 25 S 4.1824 8.3132 115.3046 58.6778 61.3637 169.8327 26 E 4.4373 7.5870 119.5386 55.6586 30.7368 176.5874 27 S 4.6905 8.6484 117.5134 58.9892 64.1992 174.0533 28 I 4.4143 8.2827 123.7735 58.8821 38.8037 173.8683 29 P 4.5353 0.0000 0.0000 61.8708 31.9103 176.0733 30 K 4.2063 8.3856 122.1369 57.5572 32.2952 176.9367 31 D 4.6796 9.5068 124.5473 54.7265 40.1811 174.6315 32 S 4.4928 7.6767 114.4436 57.7440 64.7199 173.3663 33 L 4.5316 8.5137 124.1262 55.2700 42.6390 175.7039 34 R 4.9581 8.5455 123.4285 54.4906 33.3866 173.8241 *36 A 5.1732 8.6315 118.5362 52.5027 19.9380 176.6187 37 I 4.9695 8.0029 114.6841 59.7684 40.9511 174.9070 *39 V 4.0417 8.2038 113.4806 61.1181 33.4995 174.6775 40 Q 4.2327 8.3026 123.5989 56.0681 29.5149 175.5616 41 S 4.3026 8.3595 121.9203 56.6046 63.3212 172.1093 42 P 4.5045 0.0000 0.0000 62.3276 31.4092 174.9798 *44 F 4.5053 7.6510 111.9617 57.6270 39.0535 174.9098 45 D 4.4113 8.6630 121.1508 53.0612 39.6201 175.3826 46 G 4.0951 7.0647 115.0629 44.9602 0.0000 169.6790 47 K 4.6134 8.3424 119.1432 55.5703 33.0718 177.0815 48 V 4.7282 8.2794 116.4077 58.6567 34.9889 173.8428 49 P 4.2218 0.0000 0.0000 63.0041 32.4885 175.6198 50 H 4.6778 8.8017 120.4254 54.0900 30.0281 174.1126 51 W 5.1199 8.3701 123.9880 56.4945 30.4579 175.5625 52 Y 5.0046 8.9013 119.8553 55.5093 41.5200 175.7179 53 H 4.3782 8.7836 119.4408 56.1033 30.4457 176.1950 54 F 4.2425 9.1501 125.3422 61.8590 39.2264 177.8738 55 S 4.3504 8.4161 113.1084 61.8649 62.5272 175.8803 56 C 4.2251 8.3493 120.0833 62.3961 27.6460 175.7464 57 F 3.3424 8.1148 121.4750 60.9326 39.2756 177.0516 58 W 4.1564 7.6054 117.1039 59.2949 28.5745 178.6961 59 K 4.0277 7.7402 118.1088 59.4052 31.5835 178.9037 60 V 4.0248 6.9851 108.9206 60.7406 31.8698 174.5247 61 G 3.6036 7.9343 110.5739 45.8707 0.0000 172.6039 62 H 4.9177 8.2033 121.4008 53.5158 32.3763 174.4929 63 S 4.6027 8.4100 116.7658 56.3630 62.2826 171.3982 64 I 4.2898 7.8785 126.7948 60.7746 37.8036 175.9145 65 R 4.1722 8.6887 125.2658 57.9866 30.9721 176.7696 66 H 4.8748 8.6300 115.3202 52.0194 29.1298 171.7800 67 P 4.0968 0.0000 0.0000 65.6493 31.3178 177.0859 68 D 3.4842 7.2796 115.7169 56.1474 38.8790 178.3517 69 V 4.0845 7.4570 117.6399 62.8305 32.5761 177.2332 70 E 4.5460 8.6182 118.1719 56.3433 30.2056 176.2768 71 V 4.3856 7.8722 119.4959 60.4541 31.7714 173.9191 72 D 4.5183 8.4084 127.0531 56.2961 41.4333 177.7130 73 G 4.0930 9.0821 113.8755 45.1504 0.0000 174.7807 74 F 4.0881 8.2760 122.4990 61.1181 39.5089 177.2899 75 S 4.2310 8.0928 113.4871 60.6419 63.1513 174.6584 76 E 4.2249 7.7520 119.0259 57.2698 29.5413 176.9325 77 L 4.4193 7.1168 119.1486 53.6627 42.6962 177.5516 78 R 4.1083 8.5789 120.4783 56.4339 31.9818 177.9709 79 W 3.9936 8.9022 131.4342 60.7330 30.7902 178.1149 80 D 4.4956 8.3539 118.5739 56.6576 38.6826 178.1417 81 D 4.2880 7.9931 119.6926 56.9131 41.0214 178.3272 82 Q 3.4740 7.9485 118.7864 58.9836 28.4588 179.1438 83 Q 3.7665 7.6239 118.9527 58.4530 28.7288 178.2694 84 K 3.8092 7.8099 120.7897 59.4104 32.0779 179.0572 85 V 3.7942 8.0865 118.5498 66.0190 31.6100 177.8624 86 K 3.8163 8.0229 118.1516 59.6978 31.9069 179.3532 87 K 3.8865 8.1961 118.5440 59.7606 31.7205 179.6405 88 T 3.5099 7.5180 114.6266 66.3023 68.3444 176.2792 89 A 3.5702 7.5323 121.7750 55.1659 18.4803 179.3199 90 E 3.9468 7.9930 115.5933 58.9240 29.5473 177.6678 91 A 4.2733 7.3357 124.2707 52.2068 18.9766 176.8279 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 5 S 8.33 4.39 0.00 3.86 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 6 D 8.41 4.58 0.00 2.76 2.64 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 7 K 8.14 4.21 0.00 1.78 1.94 0.00 1.81 0.00 0.00 1.87 0.00 0.00 3.12 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.41 7.81 8 L 8.07 3.99 0.00 0.46 0.77 0.73 0.58 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 9 Y 7.28 5.14 0.00 2.84 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 10 R 8.70 5.28 0.00 1.77 1.61 0.00 3.26 0.00 0.00 3.67 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.72 0.00 11 V 8.44 4.99 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 0.92 0.00 0.00 1.00 0.00 0.00 12 E 8.44 4.55 0.00 2.03 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 2.15 2.01 0.00 13 Y 8.33 4.77 0.00 2.89 2.94 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 14 A 8.95 3.67 1.20 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 0.00 0.00 0.00 15 K 8.70 3.39 0.00 1.71 1.87 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.44 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.49 7.81 16 S 7.58 4.62 0.00 3.90 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 17 G 8.51 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.42 4.18 0.00 1.75 1.99 0.00 3.18 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 19 A 7.79 4.19 1.18 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 20 S 8.50 5.06 0.00 3.75 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 21 C 8.78 4.17 0.00 2.78 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 22 K 8.27 3.64 0.00 0.79 1.58 0.00 1.54 0.00 0.00 1.42 0.00 0.00 2.56 0.00 0.00 2.24 0.00 0.00 0.00 0.00 1.18 1.18 7.81 23 K 7.77 4.13 0.00 1.99 2.01 0.00 1.87 0.00 0.00 1.87 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.51 7.81 24 C 8.00 4.39 0.00 3.19 3.23 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 0.00 25 S 8.31 4.18 0.00 4.08 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 26 E 7.59 4.44 0.00 2.07 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 2.35 2.49 0.00 27 S 8.65 4.69 0.00 3.77 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 28 I 8.28 4.41 1.75 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.72 0.85 0.00 0.00 29 P 0.00 4.54 0.00 2.19 1.98 0.00 3.69 0.00 0.00 3.99 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 30 K 8.39 4.21 0.00 1.68 1.72 0.00 1.68 0.00 0.00 0.61 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.58 7.81 31 D 9.51 4.68 0.00 2.77 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 S 7.68 4.49 0.00 3.98 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 33 L 8.51 4.53 0.00 1.65 1.58 0.55 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.55 4.96 0.00 2.02 1.92 0.00 2.21 0.00 0.00 2.55 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.02 0.00 *36 A 8.63 5.17 0.24 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 37 I 8.00 4.97 1.89 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 1.63 1.68 1.18 0.00 0.00 *39 V 8.20 4.04 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 0.52 0.00 0.00 0.69 0.00 0.00 40 Q 8.30 4.23 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.99 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 41 S 8.36 4.30 0.00 3.40 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 42 P 0.00 4.50 0.00 2.19 2.05 0.00 3.78 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 *44 F 7.65 4.51 0.00 3.20 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 45 D 8.66 4.41 0.00 2.65 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 46 G 7.06 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 47 K 8.34 4.61 0.00 1.73 1.67 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.40 7.81 48 V 8.28 4.73 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 0.89 0.00 0.00 0.94 0.00 0.00 49 P 0.00 4.22 0.00 0.49 1.04 0.00 3.45 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 50 H 8.80 4.68 0.00 3.21 3.26 0.00 5.63 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 W 8.37 5.12 0.00 3.28 3.04 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 52 Y 8.90 5.00 0.00 3.09 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 53 H 8.78 4.38 0.00 3.40 3.40 0.00 5.84 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 9.15 4.24 0.00 3.44 3.24 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 55 S 8.42 4.35 0.00 4.22 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 0.00 56 C 8.35 4.23 0.00 3.41 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 57 F 8.11 3.34 0.00 2.88 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 58 W 7.61 4.16 0.00 3.42 3.18 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 59 K 7.74 4.03 0.00 1.93 1.89 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.75 7.81 60 V 6.99 4.02 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 0.76 0.00 0.00 0.36 0.00 0.00 61 G 7.93 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.20 4.92 0.00 2.96 2.95 0.00 5.65 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.41 4.60 0.00 3.94 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 64 I 7.88 4.29 2.01 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.38 0.92 0.00 0.00 65 R 8.69 4.17 0.00 1.59 1.71 0.00 3.10 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 66 H 8.63 4.87 0.00 3.08 3.10 0.00 5.65 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.10 0.00 1.57 2.00 0.00 3.49 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 2.01 2.14 0.00 68 D 7.28 3.48 0.00 2.72 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.46 4.08 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 0.80 0.00 0.00 0.94 0.00 0.00 70 E 8.62 4.55 0.00 1.99 2.24 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 2.38 2.49 0.00 71 V 7.87 4.39 2.26 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 1.02 0.00 0.00 1.00 0.00 0.00 72 D 8.41 4.52 0.00 2.86 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 73 G 9.08 4.09 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 0.00 0.00 0.00 74 F 8.28 4.09 0.00 3.23 3.11 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 75 S 8.09 4.23 0.00 4.08 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 76 E 7.75 4.22 0.00 2.11 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 2.39 2.36 0.00 77 L 7.12 4.42 0.00 1.28 1.45 0.69 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.58 4.11 0.00 1.99 2.15 0.00 3.13 0.00 0.00 3.00 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 79 W 8.90 3.99 0.00 3.41 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 8.35 4.50 0.00 3.00 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 81 D 7.99 4.29 0.00 2.85 2.62 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 0.00 82 Q 7.95 3.47 0.00 1.66 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 1.57 2.37 0.00 83 Q 7.62 3.77 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.78 0.00 0.00 0.00 0.00 0.00 1.16 1.66 0.00 84 K 7.81 3.81 0.00 1.83 1.80 0.00 1.13 0.00 0.00 0.96 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.36 7.81 85 V 8.09 3.79 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 1.34 0.00 0.00 1.18 0.00 0.00 86 K 8.02 3.82 0.00 1.97 1.82 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.59 7.81 87 K 8.20 3.89 0.00 1.76 1.79 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.59 7.81 88 T 7.52 3.51 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 -0.43 0.00 0.00 89 A 7.53 3.57 1.30 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 0.00 0.00 90 E 7.99 3.95 0.00 1.87 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 2.29 2.39 0.00 91 A 7.34 4.27 1.17 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.