NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4986 8.1685 120.0904 56.5454 34.1659 174.1843 3 A 4.7898 8.7555 124.6904 50.1979 23.3069 173.3247 4 S 5.1569 10.0216 115.2080 56.5950 66.7690 171.2991 5 I 5.2435 8.8135 125.9504 59.4692 41.0730 173.9763 6 A 5.2097 9.0870 128.5674 50.0035 21.1376 174.8452 7 L 5.2087 9.4393 125.2456 53.2093 45.7406 175.0361 8 Q 4.7053 8.8694 125.9923 54.4655 32.3467 173.5037 9 V 4.6790 8.6345 126.5807 61.4095 33.3367 175.1348 10 L 4.8217 9.2119 129.6909 52.1895 42.6671 173.3623 11 P 4.5130 0.0000 0.0000 62.0800 32.2500 177.5336 12 L 4.5607 8.1329 125.5232 53.3159 39.0514 175.8356 13 V 4.5482 7.2564 118.1973 60.6325 35.9865 176.0216 14 Q 4.4570 8.6399 119.0731 55.7804 27.7467 176.6321 15 G 3.6031 8.2862 105.5963 47.1813 0.0000 174.7506 16 I 3.6703 8.1144 119.3408 64.0054 38.3048 177.4299 17 D 4.3418 8.1155 119.0224 56.8424 40.6324 178.5700 18 R 4.0787 8.0853 117.1626 58.7564 30.0739 178.6576 19 I 3.7766 7.7682 112.5631 62.7661 37.4545 177.7712 20 A 4.0888 7.5007 122.7092 55.0096 18.8031 179.7693 21 V 3.6141 7.4230 110.6470 64.5582 31.5798 178.9956 22 I 3.7148 7.9466 119.5145 64.5097 36.9113 178.0936 23 D 4.4046 7.9610 119.3244 57.6256 40.6395 179.0214 24 Q 4.0138 8.7491 118.7607 58.9980 28.7089 179.0717 25 V 3.7147 8.1642 119.5518 65.8390 31.4551 178.2712 26 I 3.6999 7.9778 119.4193 64.2543 36.7909 178.0567 27 A 3.9659 7.9971 120.4110 55.3808 18.5146 178.5591 28 Y 4.2090 8.1245 117.8417 61.0178 38.9103 178.2915 29 L 3.6124 7.9978 119.6086 58.0681 41.5397 179.7051 30 Q 3.9915 8.0350 116.6379 59.1589 28.6182 178.7666 31 T 3.9256 7.3843 116.2141 65.5459 68.6460 175.1222 32 Q 4.0930 6.7330 118.4180 55.7708 29.8908 176.1500 33 E 4.4480 8.2921 120.3870 55.9133 28.6981 176.5657 34 V 4.5745 6.9546 117.1479 59.8274 35.0668 177.5120 35 T 4.0048 7.9200 119.0300 63.6659 70.1724 173.4795 *37 V 4.0886 8.1119 122.0013 62.9477 33.0621 174.3393 38 V 4.2746 8.4847 128.0162 61.8965 30.9107 175.0045 39 T 4.6431 8.2485 117.1716 58.7938 71.2134 173.3810 40 P 4.4120 0.0000 0.0000 64.9367 31.2538 177.5057 41 F 4.7765 7.6365 114.4323 57.2848 41.2918 174.7961 42 E 4.9999 7.9482 116.0027 55.4468 33.3944 174.1040 43 T 4.9340 9.8077 118.6292 62.1639 70.6051 173.7657 44 V 4.6314 8.9205 127.5804 61.6038 32.7311 175.0224 45 L 5.1289 9.4005 128.5812 53.0669 44.6956 175.1008 46 E 4.9775 9.6139 121.9122 53.6804 33.3729 175.7095 47 G 4.0471 7.9837 112.3926 45.3937 0.0000 170.9964 48 E 4.4185 8.2586 119.3790 55.9035 31.0609 177.0931 49 F 4.3138 8.9511 125.6953 61.8442 39.4987 176.7609 50 D 4.3732 8.2167 116.4581 57.5045 40.9771 178.4418 51 E 4.1423 8.0622 117.3095 59.1859 29.6359 179.5483 52 L 4.2404 7.7569 118.9071 54.5040 41.6730 179.2059 *54 R 4.1627 7.9693 120.1916 56.5322 31.9862 177.4680 55 I 3.9252 8.2579 118.8499 64.1431 36.9437 178.1385 56 L 3.9230 8.5813 121.5903 58.1082 41.9698 178.9292 57 K 3.8634 7.9675 118.9472 59.5778 32.1217 178.4363 58 E 3.9053 8.2637 118.5400 59.1844 29.3724 178.9095 59 A 3.8424 8.3986 121.1509 55.4086 18.3605 179.7773 60 L 3.9336 8.0113 117.2617 57.9211 41.4285 179.6297 61 E 3.9161 7.8396 117.8341 59.0523 29.6011 179.3259 62 V 3.5920 8.0170 118.5819 65.9801 31.2428 177.8880 63 A 4.0929 8.0791 120.6354 55.2175 18.0047 179.7473 64 G 3.3615 8.3545 103.0656 46.4058 0.0000 174.3431 65 Q 4.6633 7.5119 122.4546 54.7384 28.8853 175.0998 66 E 4.6636 7.8740 115.9611 56.7811 35.0053 173.8976 67 A 4.6696 7.3145 119.1904 51.7337 22.3053 176.0059 68 D 4.4857 8.6333 119.9069 55.7567 41.7230 176.3558 69 N 4.9782 8.0799 115.9830 51.3920 41.5960 173.5023 70 V 4.7735 8.4991 123.7570 60.8330 34.2312 174.2851 71 F 4.9069 8.8831 129.3761 56.3201 42.1778 173.7124 72 A 5.0957 7.1573 125.5094 50.2513 22.6155 174.6252 73 N 4.9388 8.9048 118.0369 51.5237 41.1353 174.3041 74 V 4.9340 8.3081 122.1252 61.0353 35.1332 174.3788 75 K 4.7385 8.9381 125.8191 54.6513 34.9799 175.1434 76 I 5.0412 8.4526 124.6192 59.5208 40.7114 174.7401 77 N 4.8720 9.2087 123.6870 52.2820 41.6508 173.4108 78 V 4.6182 8.6073 118.8257 60.3486 35.1189 175.8930 79 G 3.8460 8.0321 107.2171 44.5422 0.0000 175.2300 80 E 4.2818 8.4117 114.5676 55.5129 27.7078 175.6264 81 I 4.3879 7.3531 114.5419 58.8142 39.9995 176.7432 82 L 4.3253 8.1226 122.1330 54.4587 42.4768 177.6963 83 S 4.6351 9.2122 117.5675 57.6404 65.4290 175.4960 84 I 3.7100 8.5659 122.8596 64.8000 36.5333 178.5071 85 D 4.3884 8.0014 117.8968 57.3914 40.9288 178.3650 86 E 4.1142 8.0588 118.8083 59.2487 29.3001 179.3461 87 K 3.9215 8.2263 117.5668 59.5788 32.3523 179.1181 88 L 4.1476 7.8118 116.3567 56.0153 42.7921 177.3148 89 E 4.7013 7.7439 118.6351 54.7564 29.2687 176.1941 90 K 4.1228 7.7966 121.3484 56.8710 32.0538 177.6310 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 K 8.17 4.50 0.00 1.74 1.81 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.47 7.81 3 A 8.76 4.79 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 10.02 5.16 0.00 3.88 3.67 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 5 I 8.81 5.24 1.90 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.20 0.94 0.00 0.00 6 A 9.09 5.21 1.24 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 7 L 9.44 5.21 0.00 1.71 1.50 0.91 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.87 4.71 0.00 2.37 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.54 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 9 V 8.63 4.68 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 0.89 0.00 0.00 0.95 0.00 0.00 10 L 9.21 4.82 0.00 1.79 1.67 1.02 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.51 0.00 2.10 2.08 0.00 3.79 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 12 L 8.13 4.56 0.00 1.59 1.69 0.94 0.68 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 13 V 7.26 4.55 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 0.84 0.00 0.00 0.94 0.00 0.00 14 Q 8.64 4.46 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 15 G 8.29 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 16 I 8.11 3.67 1.87 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 1.64 1.32 0.91 0.00 0.00 17 D 8.12 4.34 0.00 2.73 2.71 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 18 R 8.09 4.08 0.00 2.06 2.43 0.00 2.78 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.63 0.00 19 I 7.77 3.78 1.87 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 1.77 0.57 0.91 0.00 0.00 20 A 7.50 4.09 1.43 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 0.00 0.00 21 V 7.42 3.61 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 0.89 0.00 0.00 1.02 0.00 0.00 22 I 7.95 3.71 1.97 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 1.54 1.01 0.92 0.00 0.00 23 D 7.96 4.40 0.00 2.97 2.73 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 24 Q 8.75 4.01 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.68 2.86 0.00 25 V 8.16 3.71 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 1.10 0.00 0.00 1.03 0.00 0.00 26 I 7.98 3.70 2.03 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 1.61 0.77 0.91 0.00 0.00 27 A 8.00 3.97 1.32 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 0.00 0.00 28 Y 8.12 4.21 0.00 3.12 3.26 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 29 L 8.00 3.61 0.00 2.08 1.66 1.07 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 8.04 3.99 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 31 T 7.38 3.93 4.22 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 1.11 0.00 0.00 32 Q 6.73 4.09 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.45 0.00 0.00 0.00 0.00 0.00 1.70 2.23 0.00 33 E 8.29 4.45 0.00 1.92 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 2.23 2.25 0.00 34 V 6.95 4.57 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 0.69 0.00 0.00 0.97 0.00 0.00 35 T 7.92 4.00 4.38 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 1.21 0.00 0.00 *37 V 8.11 4.09 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 0.95 0.00 0.00 0.94 0.00 0.00 38 V 8.48 4.27 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 0.89 0.00 0.00 0.93 0.00 0.00 39 T 8.25 4.64 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 1.24 0.00 0.00 40 P 0.00 4.41 0.00 1.98 2.05 0.00 3.70 0.00 0.00 3.68 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 41 F 7.64 4.78 0.00 3.19 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 42 E 7.95 5.00 0.00 2.20 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 2.35 0.00 43 T 9.81 4.93 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 1.28 0.00 0.00 44 V 8.92 4.63 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 0.77 0.00 0.00 0.96 0.00 0.00 45 L 9.40 5.13 0.00 1.57 1.53 0.93 0.52 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 46 E 9.61 4.98 0.00 2.01 1.73 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 2.21 2.26 0.00 47 G 7.98 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 0.00 0.00 0.00 48 E 8.26 4.42 0.00 2.16 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 2.42 2.33 0.00 49 F 8.95 4.31 0.00 2.93 3.16 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 0.00 50 D 8.22 4.37 0.00 2.68 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.06 4.14 0.00 2.17 2.19 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 2.55 2.39 0.00 52 L 7.76 4.24 0.00 1.82 1.71 1.09 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 *54 R 7.97 4.16 0.00 1.93 2.13 0.00 3.19 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 55 I 8.26 3.93 2.01 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.62 0.98 0.00 0.00 56 L 8.58 3.92 0.00 1.78 1.68 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 57 K 7.97 3.86 0.00 1.81 1.90 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.49 7.81 58 E 8.26 3.91 0.00 2.18 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 2.24 2.43 0.00 59 A 8.40 3.84 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.01 3.93 0.00 1.79 1.67 0.86 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.84 3.92 0.00 1.95 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 2.28 2.51 0.00 62 V 8.02 3.59 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 1.03 0.00 0.00 0.59 0.00 0.00 63 A 8.08 4.09 1.37 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 0.00 0.00 0.00 64 G 8.35 3.36 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 0.00 0.00 0.00 0.00 65 Q 7.51 4.66 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.58 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 66 E 7.87 4.66 0.00 1.90 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 2.30 2.35 0.00 67 A 7.31 4.67 1.15 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 0.00 0.00 68 D 8.63 4.49 0.00 2.67 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 69 N 8.08 4.98 0.00 2.61 2.74 0.00 0.00 6.56 7.68 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 70 V 8.50 4.77 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 0.79 0.00 0.00 0.97 0.00 0.00 71 F 8.88 4.91 0.00 3.11 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 72 A 7.16 5.10 1.04 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 73 N 8.90 4.94 0.00 2.77 2.78 0.00 0.00 6.37 7.17 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 74 V 8.31 4.93 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 0.86 0.00 0.00 0.89 0.00 0.00 75 K 8.94 4.74 0.00 1.75 1.68 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.39 7.81 76 I 8.45 5.04 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.66 1.08 0.00 0.00 77 N 9.21 4.87 0.00 2.80 2.64 0.00 0.00 6.89 7.33 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 78 V 8.61 4.62 1.73 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 0.23 0.00 0.00 0.71 0.00 0.00 79 G 8.03 3.85 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 0.00 0.00 0.00 80 E 8.41 4.28 0.00 1.96 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 2.30 2.23 0.00 81 I 7.35 4.39 1.87 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 1.41 0.61 0.98 0.00 0.00 82 L 8.12 4.33 0.00 1.64 1.72 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 83 S 9.21 4.64 0.00 4.19 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 84 I 8.57 3.71 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 1.53 1.14 0.92 0.00 0.00 85 D 8.00 4.39 0.00 2.63 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 86 E 8.06 4.11 0.00 2.26 1.99 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 2.33 2.35 0.00 87 K 8.23 3.92 0.00 1.68 1.89 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.48 1.59 7.81 88 L 7.81 4.15 0.00 1.85 1.74 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 89 E 7.74 4.70 0.00 2.06 1.88 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 2.37 2.38 0.00 90 K 7.80 4.12 0.00 1.74 1.74 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.81 1.45 7.81 * Residues marked with a * may have inaccurate shift predictions.