NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 E 4.2222 8.3027 121.4668 55.6316 30.6334 174.6016 9 R 3.9950 8.3954 127.4488 57.0823 30.6509 174.7434 10 G 3.8960 10.0161 115.2272 44.9183 0.0000 171.6966 11 E 4.6128 7.4733 118.5781 54.6767 30.2354 175.7228 12 V 3.8492 8.4612 125.7481 65.2984 32.4641 175.8009 13 Y 4.8495 7.5858 119.4060 56.4808 42.4060 173.7672 14 S 5.0951 7.6567 119.6687 57.2664 65.5055 172.6856 15 E 4.6417 9.3679 127.6412 54.2035 33.2388 173.7371 16 K 4.6182 8.6316 126.3659 54.3179 34.8618 174.7484 17 L 4.7244 8.8129 128.9115 53.3446 44.4466 175.4530 18 F 4.9164 8.9505 125.3580 57.2436 40.3060 174.7693 19 T 4.8672 7.9490 109.0382 59.8407 72.0187 173.5431 20 E 4.3069 8.9686 118.8711 56.7083 29.5248 176.3807 21 S 4.8182 7.5959 114.1254 56.0179 65.7027 173.7575 22 E 4.3070 8.6063 114.9796 57.3639 28.8792 175.9633 23 R 4.9208 8.2091 120.9826 55.1255 32.3492 175.3192 24 T 4.7280 8.5243 120.1336 61.7867 72.2029 172.6579 25 Y 5.1040 8.4492 122.2936 56.1058 41.8413 174.6142 26 F 5.0255 8.8714 120.4675 55.6315 43.1368 174.3001 27 F 4.9545 9.5459 121.5925 55.9911 41.7549 173.7306 28 N 5.6276 9.3329 121.8226 51.2366 42.2864 174.0339 29 V 4.6635 9.0575 122.5995 61.1610 34.1851 174.5575 30 K 4.7153 8.1460 126.8009 54.3412 36.0217 174.5218 31 E 5.2842 8.4884 123.1836 54.6742 32.3341 175.9896 32 N 5.3866 9.1764 124.9035 51.6357 39.8509 175.2676 33 R 3.9370 8.7223 117.2644 59.8377 29.9917 178.0089 34 K 4.1102 8.0977 114.5349 57.4852 32.4111 177.6763 35 G 4.3948 8.2116 107.0609 44.6820 0.0000 173.2318 36 D 4.8847 8.7503 119.8932 54.0856 42.0144 175.3574 37 Y 5.5585 9.3233 119.6791 57.1384 40.6797 174.6700 38 F 5.3314 8.6321 115.4334 55.6159 42.0064 172.8817 39 L 4.9971 8.9882 122.9515 53.8100 44.3724 174.8068 40 N 4.9227 9.1958 123.3579 51.9237 42.0841 172.7239 41 I 4.6631 8.3682 127.7572 59.5093 39.6894 174.9309 42 V 4.7940 8.5376 126.7062 60.9597 34.7092 173.5084 43 E 4.7915 9.3242 128.9111 54.4025 32.1325 174.2598 44 S 5.1785 9.4428 122.4089 56.6026 64.9253 172.1662 45 K 4.9376 9.1790 129.9311 54.6719 34.2924 174.8015 46 R 4.2163 8.5030 128.8699 54.7683 30.5464 176.4153 47 S 4.3139 8.8600 122.1055 57.2257 63.9421 173.2979 48 P 4.1694 0.0000 0.0000 65.9076 31.1479 178.2335 49 S 4.0741 7.8948 111.2757 59.9403 62.9401 175.0345 50 G 3.9425 8.0471 108.2036 44.8810 0.0000 173.1439 51 D 4.6900 7.8383 119.5016 53.6361 42.6558 175.3501 52 F 5.1559 8.7162 120.0328 56.0564 40.8766 174.8853 53 E 4.5459 9.1747 124.5396 54.9676 31.2335 175.2401 54 R 5.0088 8.5334 123.6636 54.7186 32.4934 174.9837 55 H 4.9245 9.2985 122.0814 53.9895 31.2900 173.3275 56 S 5.0675 8.7662 117.6863 56.4278 65.1235 172.8548 57 I 4.6504 8.6514 127.5961 59.4825 40.1521 174.3854 58 F 5.0228 8.8480 124.5023 55.6112 41.7210 175.1837 59 V 4.1737 8.1681 121.8508 61.3306 34.5098 174.6185 60 Y 4.6929 8.5335 125.2597 57.0192 39.1485 175.8147 61 E 4.0231 8.6476 123.6216 59.6148 29.7160 179.5038 62 E 4.1086 8.3595 114.5443 58.4876 30.0368 177.0327 63 N 5.0018 8.2177 115.8622 52.9344 39.5565 176.1841 64 I 3.7879 7.8258 121.1645 64.2710 38.0249 177.6743 65 N 4.3750 8.2018 116.8494 56.5858 38.4737 177.1382 66 E 4.0414 8.1952 119.4183 59.0943 29.5803 178.9449 67 F 3.9859 8.3844 120.8082 61.1597 39.4339 176.6934 68 E 3.9447 8.7293 119.5096 59.4787 29.5052 178.9623 69 S 4.0860 8.1256 114.1842 61.6024 62.9612 176.1766 70 N 4.3038 8.2386 120.0659 55.6059 38.1158 177.2478 71 L 3.6786 7.8012 121.9636 58.1682 42.2949 178.9026 72 L 3.9187 7.9828 119.0489 57.9022 41.2800 179.8593 73 K 3.9738 7.8509 117.3478 59.2355 31.8697 179.0471 74 A 4.1070 7.9542 121.1737 55.2146 18.2382 179.8119 75 I 3.6494 8.0652 118.4217 64.3097 37.0281 178.3801 76 A 3.9538 7.9422 121.6731 55.2277 17.6921 179.8205 77 V 3.5101 7.5121 116.1915 66.1194 31.5324 178.4579 78 I 3.7786 7.5077 119.0784 64.2857 36.9540 178.2704 79 K 3.9677 8.1264 118.4551 59.3872 31.8651 179.0493 80 Q 4.1266 8.0850 117.8508 58.8427 28.7725 178.4883 81 K 3.9979 7.4450 118.5775 58.5138 32.7063 177.3755 82 V 3.5901 7.0636 117.2053 62.1178 31.5207 175.9005 83 S 4.3168 8.5269 118.0340 58.1270 63.7502 173.7673 84 T 4.4793 8.0664 113.3812 59.6412 70.9410 175.0876 85 G 3.7303 8.4339 109.4658 47.9716 0.0000 172.6613 86 S 4.2501 7.3141 113.8288 57.8448 67.2092 173.6044 *90 S 4.0626 8.4141 114.6700 58.1312 62.3325 172.9162 91 A 4.1995 8.5332 131.2847 51.7855 18.8994 176.4581 92 R 4.4866 8.5363 121.7191 54.6367 32.2755 175.0538 93 H 4.7275 8.5700 118.3615 54.3088 31.0246 174.4119 94 N 4.5659 8.6387 116.7874 54.1451 39.6085 173.4907 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 E 8.30 4.22 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 2.25 2.29 0.00 9 R 8.40 3.99 0.00 1.89 1.83 0.00 3.27 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 10 G 10.02 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 0.00 0.00 0.00 11 E 7.47 4.61 0.00 2.07 1.84 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 2.20 2.31 0.00 12 V 8.46 3.85 1.77 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 0.54 0.00 0.00 0.17 0.00 0.00 13 Y 7.59 4.85 0.00 3.02 2.60 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 14 S 7.66 5.10 0.00 3.81 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 9.37 4.64 0.00 1.71 1.82 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 2.19 2.28 0.00 16 K 8.63 4.62 0.00 1.57 1.44 0.00 1.58 0.00 0.00 1.02 0.00 0.00 2.13 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.40 0.21 7.81 17 L 8.81 4.72 0.00 1.92 1.81 0.99 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.95 4.92 0.00 2.98 2.92 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 19 T 7.95 4.87 4.37 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 1.50 0.00 0.00 20 E 8.97 4.31 0.00 2.02 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 0.00 2.32 2.33 0.00 21 S 7.60 4.82 0.00 4.01 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 22 E 8.61 4.31 0.00 2.11 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 2.34 2.39 0.00 23 R 8.21 4.92 0.00 1.74 1.42 0.00 3.18 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 24 T 8.52 4.73 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 0.51 0.00 0.00 25 Y 8.45 5.10 0.00 2.77 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 0.00 0.00 0.00 0.00 26 F 8.87 5.03 0.00 2.77 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 27 F 9.55 4.95 0.00 3.07 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 28 N 9.33 5.63 0.00 2.61 2.62 0.00 0.00 6.08 8.05 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 29 V 9.06 4.66 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 0.78 0.00 0.00 0.84 0.00 0.00 30 K 8.15 4.72 0.00 0.79 1.10 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.11 7.81 31 E 8.49 5.28 0.00 1.87 1.74 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 2.32 2.47 0.00 32 N 9.18 5.39 0.00 3.05 3.36 0.00 0.00 6.27 8.43 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 33 R 8.72 3.94 0.00 1.80 2.05 0.00 3.29 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 34 K 8.10 4.11 0.00 1.83 1.87 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.47 7.81 35 G 8.21 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 36 D 8.75 4.88 0.00 2.95 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 37 Y 9.32 5.56 0.00 2.85 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 38 F 8.63 5.33 0.00 2.90 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 39 L 8.99 5.00 0.00 1.68 1.50 1.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 40 N 9.20 4.92 0.00 2.38 2.43 0.00 0.00 7.06 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 41 I 8.37 4.66 1.82 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 1.17 0.57 0.74 0.00 0.00 42 V 8.54 4.79 2.14 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 0.96 0.00 0.00 0.78 0.00 0.00 43 E 9.32 4.79 0.00 2.16 1.83 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 2.04 1.80 0.00 44 S 9.44 5.18 0.00 3.99 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 45 K 9.18 4.94 0.00 1.98 1.66 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.34 7.81 46 R 8.50 4.22 0.00 1.67 1.67 0.00 3.31 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 0.00 47 S 8.86 4.31 0.00 3.93 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 48 P 0.00 4.17 0.00 2.03 2.15 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 49 S 7.89 4.07 0.00 3.94 3.97 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 50 G 8.05 3.94 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 0.00 0.00 0.00 51 D 7.84 4.69 0.00 2.54 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 52 F 8.72 5.16 0.00 2.90 2.98 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 53 E 9.17 4.55 0.00 2.09 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 2.25 2.27 0.00 54 R 8.53 5.01 0.00 1.61 1.77 0.00 3.05 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 55 H 9.30 4.92 0.00 3.05 3.22 0.00 5.55 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.77 5.07 0.00 3.78 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 57 I 8.65 4.65 1.83 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.66 0.87 0.00 0.00 58 F 8.85 5.02 0.00 2.82 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.17 4.17 1.64 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 0.77 0.00 0.00 -0.07 0.00 0.00 60 Y 8.53 4.69 0.00 3.12 2.92 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 61 E 8.65 4.02 0.00 2.21 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 2.37 2.37 0.00 62 E 8.36 4.11 0.00 2.16 2.13 0.00 0.00 0.00 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 63 N 8.22 5.00 0.00 2.89 2.93 0.00 0.00 6.46 7.65 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 64 I 7.83 3.79 2.02 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 1.57 1.50 1.01 0.00 0.00 65 N 8.20 4.37 0.00 2.89 2.89 0.00 0.00 7.12 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 66 E 8.20 4.04 0.00 2.09 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 0.00 2.43 2.40 0.00 67 F 8.38 3.99 0.00 3.34 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.73 3.94 0.00 2.21 2.13 0.00 0.00 0.00 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 2.35 0.00 69 S 8.13 4.09 0.00 4.09 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 70 N 8.24 4.30 0.00 2.87 2.75 0.00 0.00 6.62 6.09 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 71 L 7.80 3.68 0.00 1.33 1.64 0.84 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.98 3.92 0.00 1.84 1.68 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 73 K 7.85 3.97 0.00 1.84 1.83 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.59 7.81 74 A 7.95 4.11 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 75 I 8.07 3.65 1.90 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 1.42 0.74 0.88 0.00 0.00 76 A 7.94 3.95 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 77 V 7.51 3.51 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 1.01 0.00 0.00 0.91 0.00 0.00 78 I 7.51 3.78 1.98 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 1.63 0.42 0.90 0.00 0.00 79 K 8.13 3.97 0.00 1.69 1.86 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.64 7.81 80 Q 8.09 4.13 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 81 K 7.44 4.00 0.00 1.75 2.02 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.60 7.81 82 V 7.06 3.59 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 0.75 0.00 0.00 0.93 0.00 0.00 83 S 8.53 4.32 0.00 3.99 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 84 T 8.07 4.48 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 1.20 0.00 0.00 85 G 8.43 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 86 S 7.31 4.25 0.00 3.83 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 *90 S 8.41 4.06 0.00 3.85 3.84 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 91 A 8.53 4.20 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 92 R 8.54 4.49 0.00 1.76 1.83 0.00 3.19 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.73 0.00 93 H 8.57 4.73 0.00 3.22 3.31 0.00 5.83 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.64 4.57 0.00 2.80 2.80 0.00 0.00 6.79 7.56 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 * Residues marked with a * may have inaccurate shift predictions.