NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.5606 8.3231 116.7888 58.2211 66.0718 173.7261 9 G 3.9769 6.8367 110.9083 43.1644 0.0000 173.8104 10 K 5.2319 10.6437 134.9935 56.6665 31.8605 174.4877 11 R 3.5721 6.9526 117.5902 57.6730 28.8142 174.0088 12 P 3.2031 0.0000 0.0000 63.6248 33.5932 177.9388 13 I 2.6942 7.4583 115.4452 61.9109 39.3257 176.1161 14 V 4.6531 8.9806 116.6045 60.6032 33.1000 171.3467 15 A 4.5061 7.2562 119.6877 50.2117 19.9678 176.2935 16 N 4.7825 8.3266 112.5628 51.3796 39.9460 174.8793 17 S 4.3144 8.4344 118.0862 58.4089 64.4529 174.4325 18 I 4.6230 7.9589 118.3775 59.5029 38.0025 175.3041 19 Q 4.2665 8.3649 126.3163 55.5593 30.3339 175.0121 20 R 4.9176 8.2447 118.9657 56.2699 30.6259 174.8296 21 R 4.6075 8.3104 123.4846 56.8717 34.8521 174.9831 22 G 3.8787 8.4183 106.9542 46.0050 0.0000 173.4086 23 K 4.6303 8.8557 127.4572 54.4120 33.6461 175.0025 24 A 4.9941 8.4348 126.4170 49.9706 21.3806 176.2208 25 K 4.4812 8.6170 122.8173 54.8036 33.6983 175.1094 26 R 4.4265 7.8628 121.7115 55.2645 31.5781 173.9696 27 E 3.9878 8.6719 119.3275 56.1313 29.3019 178.3870 28 G 4.8825 7.5774 127.0700 46.2758 0.0000 173.7326 29 G 3.9583 9.0316 107.2548 45.3102 0.0000 174.2287 30 V 4.4546 7.5386 116.4596 59.8797 31.1915 175.6734 31 G 4.8100 7.1255 121.0069 46.3581 0.0000 172.2368 32 K 4.5395 6.7777 117.5824 54.1995 36.8866 176.0939 33 K 4.4169 8.3747 116.4476 58.8824 31.6473 176.0240 34 T 4.5918 7.8873 106.5572 62.3607 68.9949 173.8238 35 T 4.3551 8.0499 118.9174 60.5395 71.4856 174.1505 36 G 4.2080 8.3920 110.2182 44.7281 0.0000 172.8859 37 I 4.0009 8.6051 128.9621 63.4649 37.7474 177.0268 38 S 4.5916 7.5317 112.2870 57.6014 65.5049 175.2123 39 K 4.9116 8.8733 125.9043 54.8965 33.2479 175.5606 40 R 4.6549 8.3986 125.0056 54.0561 33.3269 175.2766 41 R 4.0749 8.6673 123.7522 56.7052 30.1721 176.1271 42 Q 4.4927 8.5573 126.1373 55.1463 31.0966 174.3559 43 Y 4.7864 8.3060 122.0088 55.4194 41.3232 173.0560 44 P 4.6465 0.0000 0.0000 61.3184 31.3453 175.4263 45 N 4.3297 8.4461 123.5754 53.1767 39.4614 176.4560 46 L 4.0835 8.6222 122.8927 57.1946 39.4676 178.7794 47 Q 3.2641 6.9204 127.4735 57.5641 27.6293 176.8447 48 K 4.1980 7.2255 123.4770 55.9135 31.9999 178.0826 49 V 3.8048 8.6320 115.4533 61.6983 31.7199 169.0747 50 R 4.8016 8.3425 126.4614 55.2007 31.8681 175.4038 51 V 4.4274 9.0930 124.5296 61.2753 34.8685 174.0522 52 R 4.9416 8.6083 126.8785 54.6483 31.7581 176.0619 53 V 4.4124 8.8979 122.9800 59.5589 34.7725 176.4301 54 A 4.0734 8.9288 124.8448 53.9797 18.5627 179.0971 55 G 4.0553 7.5628 104.6883 48.7182 0.0000 172.8474 56 Q 4.5594 7.0688 121.7154 55.7037 36.9800 174.1216 57 E 4.6877 7.6317 119.4087 54.9740 31.6751 175.0846 58 I 4.2927 7.8228 120.7156 60.9730 39.8432 177.0441 59 T 4.9345 8.0793 119.6209 62.2205 72.0372 173.3449 60 F 5.2011 9.2773 124.5857 55.2588 43.1010 175.0214 61 R 4.9070 8.0979 117.8842 54.4370 29.7921 175.4057 62 V 3.7383 7.6083 120.1776 61.7439 32.3886 177.9711 63 A 4.0418 8.7753 121.9436 52.7348 17.8805 177.9283 64 A 3.8950 8.3471 120.5591 53.7939 16.3724 178.7203 65 S 4.6836 7.6471 112.2214 59.9450 67.1500 174.6783 66 H 4.8788 7.9349 116.4677 55.3177 30.8996 175.0882 67 I 3.7724 8.1422 122.1829 64.1284 37.4737 175.6025 68 P 4.3475 0.0000 0.0000 66.3748 30.6748 177.8440 69 K 3.8524 8.3987 119.9076 58.9242 31.5985 178.5276 70 V 3.7526 8.3848 118.4367 66.3692 31.3183 177.2173 71 Y 4.0422 8.5043 116.1484 61.0317 37.9205 178.0089 72 E 4.9488 8.4191 121.0152 59.1617 29.4498 178.8723 73 L 4.0421 7.8498 118.2696 57.9349 42.1170 178.6996 74 V 3.8655 8.8400 118.4736 65.1733 31.9133 177.8966 75 E 4.2980 7.9876 119.6417 55.6311 28.3090 177.4086 76 R 4.5720 7.6732 118.1830 54.9071 32.1376 175.3635 77 A 4.3784 8.2086 127.9925 50.5861 17.1250 177.7785 78 K 4.0298 8.1704 118.4584 56.7232 33.1047 176.7821 79 G 3.7324 8.0421 106.5396 45.3822 0.0000 174.3143 80 L 4.4865 7.2980 116.1444 53.2811 46.0826 177.6888 81 K 4.2000 8.4591 124.1117 55.7895 32.6870 176.1604 82 L 4.0514 8.1871 120.8343 56.9009 42.1566 177.1641 83 E 4.5822 8.7289 119.6690 56.3560 33.0507 174.8284 84 G 4.3947 8.8002 108.1470 45.9177 0.0000 173.6243 85 L 4.5070 7.6131 115.2087 56.0697 43.8135 178.5103 86 S 4.3764 8.2202 109.0936 57.6238 61.7478 171.5640 87 P 4.6326 0.0000 0.0000 66.0425 32.0243 177.0071 88 K 3.6991 7.9314 118.4422 59.0523 32.4047 178.1976 89 E 4.1284 7.9899 115.0171 59.8830 29.1953 179.0800 90 I 3.5613 7.2000 119.3382 63.8591 37.4798 176.8763 91 K 3.7272 8.8436 127.7991 58.5908 33.1268 176.9471 92 K 4.3310 8.9855 118.7287 57.9214 33.7813 177.6466 93 E 4.1585 9.0547 116.9351 57.4480 31.0218 178.1593 94 L 3.8063 8.0532 117.6534 56.9243 40.7957 178.0137 95 L 4.1391 8.6576 117.1738 55.0298 46.2354 175.2130 *96 K 4.1215 8.5993 120.1734 55.1627 32.3453 172.6604 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 8 S 8.32 4.56 0.00 3.88 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 9 G 6.84 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 10 K 10.64 5.23 0.00 2.00 1.97 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.14 1.15 7.81 11 R 6.95 3.57 0.00 1.93 1.85 0.00 3.32 0.00 0.00 3.21 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 12 P 0.00 3.20 0.00 2.05 1.85 0.00 3.61 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 13 I 7.46 2.69 1.47 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.61 0.86 0.00 0.00 14 V 8.98 4.65 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 0.65 0.00 0.00 0.90 0.00 0.00 15 A 7.26 4.51 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 16 N 8.33 4.78 0.00 2.80 2.62 0.00 0.00 5.89 7.64 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 17 S 8.43 4.31 0.00 3.87 3.92 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 18 I 7.96 4.62 1.93 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.76 1.13 0.00 0.00 19 Q 8.36 4.27 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.54 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 20 R 8.24 4.92 0.00 1.77 1.69 0.00 3.40 0.00 0.00 3.24 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 21 R 8.31 4.61 0.00 1.99 1.82 0.00 3.40 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 22 G 8.42 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.86 4.63 0.00 1.74 1.76 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.57 1.50 7.81 24 A 8.43 4.99 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 25 K 8.62 4.48 0.00 1.73 1.69 0.00 1.84 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.35 7.81 26 R 7.86 4.43 0.00 1.88 1.92 0.00 3.14 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.81 0.00 27 E 8.67 3.99 0.00 2.38 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 2.31 2.37 0.00 28 G 7.58 4.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 9.03 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 0.00 0.00 0.00 30 V 7.54 4.45 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 0.83 0.00 0.00 0.93 0.00 0.00 31 G 7.13 4.81 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 0.00 0.00 0.00 32 K 6.78 4.54 0.00 1.82 1.79 0.00 1.68 0.00 0.00 1.87 0.00 0.00 3.20 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.42 7.81 33 K 8.37 4.42 0.00 1.93 1.94 0.00 1.54 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.44 7.81 34 T 7.89 4.59 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 1.23 0.00 0.00 35 T 8.05 4.36 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 G 8.39 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 0.00 0.00 0.00 0.00 37 I 8.61 4.00 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.85 0.91 0.00 0.00 38 S 7.53 4.59 0.00 3.85 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 39 K 8.87 4.91 0.00 1.66 1.73 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.72 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.41 7.81 40 R 8.40 4.65 0.00 1.77 1.76 0.00 3.41 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 41 R 8.67 4.07 0.00 1.74 1.93 0.00 3.44 0.00 0.00 3.17 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 42 Q 8.56 4.49 0.00 2.25 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.70 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 43 Y 8.31 4.79 0.00 2.77 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 44 P 0.00 4.65 0.00 2.06 2.49 0.00 3.90 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 1.93 1.95 0.00 45 N 8.45 4.33 0.00 2.72 2.76 0.00 0.00 7.20 7.85 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 46 L 8.62 4.08 0.00 1.69 1.72 0.89 0.67 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 47 Q 6.92 3.26 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 48 K 7.23 4.20 0.00 1.73 1.19 0.00 1.83 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.53 7.81 49 V 8.63 3.80 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 0.79 0.00 0.00 1.01 0.00 0.00 50 R 8.34 4.80 0.00 1.87 1.80 0.00 3.23 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 51 V 9.09 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 0.83 0.00 0.00 1.00 0.00 0.00 52 R 8.61 4.94 0.00 1.65 1.74 0.00 3.18 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 53 V 8.90 4.41 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.51 0.00 0.00 54 A 8.93 4.07 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 55 G 7.56 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 0.00 0.00 0.00 56 Q 7.07 4.56 0.00 1.94 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.35 0.00 0.00 0.00 0.00 0.00 2.21 2.39 0.00 57 E 7.63 4.69 0.00 1.92 1.81 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 2.20 2.25 0.00 58 I 7.82 4.29 1.56 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.88 0.83 0.00 0.00 59 T 8.08 4.93 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 1.22 0.00 0.00 60 F 9.28 5.20 0.00 2.89 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.10 4.91 0.00 1.77 1.83 0.00 3.27 0.00 0.00 3.29 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 62 V 7.61 3.74 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 1.08 0.00 0.00 63 A 8.78 4.04 1.22 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 0.00 0.00 0.00 0.00 0.00 64 A 8.35 3.89 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 65 S 7.65 4.68 0.00 3.99 4.07 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 66 H 7.93 4.88 0.00 3.18 3.32 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.14 3.77 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.82 1.08 0.00 0.00 68 P 0.00 4.35 0.00 2.28 2.35 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.07 0.00 69 K 8.40 3.85 0.00 1.91 2.02 0.00 1.68 0.00 0.00 1.58 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.54 7.81 70 V 8.38 3.75 2.47 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 0.60 0.00 0.00 1.29 0.00 0.00 71 Y 8.50 4.04 0.00 3.27 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 72 E 8.42 4.95 0.00 2.08 2.18 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 2.42 2.30 0.00 73 L 7.85 4.04 0.00 2.07 1.86 0.84 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.84 3.87 2.20 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 0.87 0.00 0.00 0.88 0.00 0.00 75 E 7.99 4.30 0.00 2.36 1.98 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 2.39 2.56 0.00 76 R 7.67 4.57 0.00 1.75 1.84 0.00 3.38 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.57 0.00 77 A 8.21 4.38 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 78 K 8.17 4.03 0.00 1.77 1.88 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.61 7.81 79 G 8.04 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 80 L 7.30 4.49 0.00 1.60 1.55 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.46 4.20 0.00 1.74 1.80 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.43 7.81 82 L 8.19 4.05 0.00 1.58 1.59 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.73 4.58 0.00 1.89 1.86 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 2.14 2.31 0.00 84 G 8.80 4.39 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 0.00 85 L 7.61 4.51 0.00 1.62 1.70 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.22 4.38 0.00 4.10 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.63 0.00 2.28 2.43 0.00 3.92 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 2.02 2.00 0.00 88 K 7.93 3.70 0.00 1.83 1.88 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.47 7.81 89 E 7.99 4.13 0.00 2.11 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 2.49 2.34 0.00 90 I 7.20 3.56 2.01 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.94 1.00 0.00 0.00 91 K 8.84 3.73 0.00 1.65 1.69 0.00 1.56 0.00 0.00 1.46 0.00 0.00 2.79 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.76 1.21 7.81 92 K 8.99 4.33 0.00 1.63 1.69 0.00 1.50 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.38 7.81 93 E 9.05 4.16 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 2.34 2.40 0.00 94 L 8.05 3.81 0.00 1.85 1.53 0.88 0.81 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 95 L 8.66 4.14 0.00 1.60 1.52 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 *96 K 8.60 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.