NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 33 R 4.2523 8.2549 120.8579 56.1623 31.9353 175.8683 34 K 4.0810 7.6960 115.9261 54.3581 32.9676 173.5057 35 E 3.8418 8.6648 122.5053 56.4137 31.0175 175.7603 36 S 4.6814 8.2515 120.1245 57.3792 63.7897 173.0715 37 Y 5.0002 9.8495 124.3803 57.8846 38.8754 177.5559 38 S 4.2261 8.0186 118.5955 62.2310 62.9828 176.8408 39 I 3.5977 7.5309 121.5023 64.5495 36.7704 177.9879 40 Y 4.3216 7.4033 117.0832 60.8463 37.8609 177.9868 41 V 3.7089 8.2827 119.4236 66.1787 31.6740 177.3478 42 Y 3.9348 8.4334 119.5119 60.7626 38.5301 178.2568 43 K 3.9733 8.1307 119.0502 59.5414 32.1424 179.5311 44 V 3.5892 7.9970 118.4647 65.7231 31.3964 177.6487 45 L 3.8587 7.9956 120.2359 58.3178 41.3562 179.1183 46 K 3.8105 7.7739 118.1031 59.5399 31.6655 179.4041 47 Q 3.9927 7.6474 117.4449 58.9065 28.7530 178.5169 48 V 4.0106 7.5315 111.9010 62.7475 33.4057 176.5427 49 H 4.9285 8.3899 115.6954 52.9496 29.5904 171.8154 50 P 4.3923 0.0000 0.0000 64.1773 31.6864 177.1021 51 D 4.9415 7.9941 115.9983 54.1494 41.2587 175.6076 52 T 4.5177 7.7697 116.0260 61.7154 70.5877 174.9716 53 G 4.0801 8.3547 114.9181 44.5556 0.0000 172.2469 54 I 4.5593 7.8906 118.1730 58.2576 41.0586 175.5261 55 S 4.3933 8.5744 122.5618 57.8881 65.1467 174.9475 56 S 4.0783 8.6820 117.7657 61.9229 62.0456 176.8745 57 K 3.9639 8.0775 120.0759 59.4396 31.8000 179.0058 58 A 4.0113 8.1187 121.0485 55.3616 18.2899 179.2787 59 M 4.1176 8.6858 117.3227 58.7134 32.2784 178.7086 60 G 3.6670 8.1472 105.8792 47.8311 0.0000 175.6833 61 I 3.7895 7.7965 122.3818 64.4861 37.1400 178.4856 62 M 4.2313 8.3269 119.5358 58.5062 31.7782 178.5690 63 N 4.5337 8.8290 117.0867 56.4948 38.6365 177.5543 64 S 4.1839 8.3159 116.5704 61.4680 62.8875 176.4909 65 F 4.2098 8.3903 123.2494 61.4302 39.1326 177.3679 66 V 3.1500 7.8233 117.7482 65.8699 31.1796 177.7327 67 N 4.3043 8.1210 116.2249 56.2174 38.3366 176.5888 68 D 4.3335 8.3025 119.7472 57.7711 41.3056 178.6599 69 I 3.5864 7.5693 120.0000 63.9757 36.9227 177.9888 70 F 3.9045 8.2331 121.7500 61.5334 39.1478 177.0599 71 E 4.1453 8.6045 117.9980 59.5222 29.3035 179.5464 72 R 3.9155 8.3202 118.3522 59.4505 30.0950 179.2954 73 I 3.6440 7.7975 119.1569 64.2307 37.0321 178.3930 74 A 3.9329 8.1133 121.9723 54.8813 18.1979 179.6546 75 G 3.6595 8.1523 104.3053 48.2516 0.0000 175.5083 76 E 3.9570 8.2398 122.1426 58.5909 29.6268 178.6315 77 A 3.9604 8.3097 121.3159 55.0914 18.3062 179.6048 78 S 4.0262 8.3226 111.7949 61.5023 62.4734 176.4040 79 R 3.9416 8.0063 120.7549 59.3844 29.9179 178.9395 80 L 4.0889 8.2810 118.5961 57.7871 41.6323 179.4139 81 A 3.9829 8.0078 120.5824 55.5072 18.3540 179.1590 82 H 4.0911 8.5339 116.9244 59.6090 29.7407 176.6325 83 Y 4.4129 8.3366 120.5615 60.5200 38.6463 177.0713 84 N 4.5100 7.8834 113.7465 51.6583 39.3956 174.8761 85 K 3.8064 7.7843 118.6522 57.7233 30.1627 175.5061 86 R 4.6608 8.2097 116.9806 54.4715 32.1711 177.3444 87 S 4.3674 8.6310 116.1660 59.8247 63.8731 174.2247 88 T 4.5244 7.6079 117.3505 61.4905 70.2721 173.6349 89 I 4.0229 8.3226 127.4363 60.9151 37.8835 175.9458 90 T 4.5984 9.0417 116.7781 59.4141 72.6033 175.1113 91 S 4.0950 8.4901 115.2320 61.6777 62.5483 176.4965 92 R 3.8797 7.8480 121.8403 59.3304 29.8109 178.3810 93 E 3.9864 8.0662 117.9602 59.3873 29.4704 179.1643 94 I 3.6497 7.6147 119.5844 64.2462 37.0882 178.3333 95 Q 3.8842 8.0856 120.3238 59.5019 28.8933 178.2426 96 T 3.8173 7.9628 116.5057 66.5423 68.5130 176.1741 97 A 3.9498 7.9599 122.5726 55.3472 18.3755 179.7511 98 V 3.5170 7.9266 116.6493 66.3820 31.3413 178.4866 99 R 3.9559 7.9453 116.6000 59.1428 29.9241 178.7897 100 L 4.1338 7.9765 118.2702 57.6538 41.7337 178.9875 101 L 4.2371 7.8923 117.4035 55.3708 42.1645 177.1683 102 L 4.6518 7.0237 117.8953 52.2859 43.5655 175.2329 103 P 4.5821 0.0000 0.0000 62.5397 33.4377 177.6255 104 G 3.6936 8.6329 106.1557 48.1437 0.0000 175.6539 105 E 3.9285 8.0368 121.0959 58.9432 29.8893 178.4075 106 L 4.0237 7.9600 119.7093 58.0379 42.0817 178.5532 107 A 4.0293 8.4940 121.3324 54.9552 18.3222 179.7062 108 K 3.8560 7.8688 116.8164 59.9562 32.0569 179.2457 109 H 4.1471 7.8662 116.1307 58.7964 28.5973 177.7292 110 A 3.9820 8.0871 122.5194 55.1817 18.1651 179.8120 111 V 3.5185 8.0357 117.0031 66.1717 31.6033 178.1924 112 S 4.0671 8.0205 112.7379 61.4100 62.2264 176.0013 113 E 4.0828 8.6256 121.8076 59.2401 29.2256 179.5532 114 G 3.5528 8.4551 106.1299 48.1303 0.0000 175.7243 115 T 3.8874 8.0397 118.8133 66.2487 68.4304 176.7740 116 K 3.9323 8.1553 119.9516 59.3910 32.0009 179.2664 117 A 3.9852 7.9677 120.9663 55.2189 18.3562 179.8866 118 V 3.5390 7.8580 116.7462 66.2819 31.6029 178.1559 119 T 3.8863 8.1666 115.7333 66.7670 67.9930 176.5212 120 K 3.9692 8.2506 120.1881 59.8113 31.9090 178.7671 121 Y 3.9762 8.1954 118.7077 61.0056 38.7158 177.9759 122 T 4.1615 7.9654 115.9062 66.6519 68.9134 176.3131 123 S 4.0482 8.6374 118.1441 62.7108 62.4118 176.2864 124 S 4.1835 7.3875 128.5450 63.6888 62.7235 177.1168 *125 K 4.9886 7.4495 128.1832 55.6424 31.5724 179.4391 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 33 R 8.25 4.25 0.00 1.76 2.01 0.00 3.22 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.71 0.00 34 K 7.70 4.08 0.00 1.88 1.72 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.49 7.81 35 E 8.66 3.84 0.00 1.74 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 1.76 1.63 0.00 36 S 8.25 4.68 0.00 3.83 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 37 Y 9.85 5.00 0.00 3.21 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 38 S 8.02 4.23 0.00 3.87 3.95 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 39 I 7.53 3.60 1.06 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.20 0.66 0.00 0.00 40 Y 7.40 4.32 0.00 3.33 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 41 V 8.28 3.71 2.37 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 1.16 0.00 0.00 1.13 0.00 0.00 42 Y 8.43 3.93 0.00 3.16 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 43 K 8.13 3.97 0.00 2.18 1.93 0.00 1.94 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.58 7.81 44 V 8.00 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 1.00 0.00 0.00 1.03 0.00 0.00 45 L 8.00 3.86 0.00 1.78 1.59 0.90 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.77 3.81 0.00 1.88 1.77 0.00 1.75 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.13 1.06 7.81 47 Q 7.65 3.99 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 48 V 7.53 4.01 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 0.70 0.00 0.00 0.92 0.00 0.00 49 H 8.39 4.93 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 50 P 0.00 4.39 0.00 2.03 2.11 0.00 3.70 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 2.02 2.19 0.00 51 D 7.99 4.94 0.00 2.64 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 52 T 7.77 4.52 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 53 G 8.35 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.89 4.56 1.91 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 1.52 0.85 1.05 0.00 0.00 55 S 8.57 4.39 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 56 S 8.68 4.08 0.00 3.91 3.93 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 0.00 0.00 0.00 57 K 8.08 3.96 0.00 1.85 1.85 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.52 7.81 58 A 8.12 4.01 1.36 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 59 M 8.69 4.12 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.66 0.00 60 G 8.15 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 0.00 0.00 0.00 61 I 7.80 3.79 2.06 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 0.93 0.93 0.00 0.00 62 M 8.33 4.23 0.00 2.13 2.32 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.93 0.00 63 N 8.83 4.53 0.00 2.77 2.99 0.00 0.00 7.03 7.52 0.00 0.00 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 S 8.32 4.18 0.00 4.09 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 65 F 8.39 4.21 0.00 3.14 3.29 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 0.00 66 V 7.82 3.15 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 -0.01 0.00 0.00 0.96 0.00 0.00 67 N 8.12 4.30 0.00 3.04 2.86 0.00 0.00 6.66 8.13 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 68 D 8.30 4.33 0.00 2.85 2.79 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 69 I 7.57 3.59 1.42 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 0.69 0.11 0.73 0.00 0.00 70 F 8.23 3.90 0.00 3.06 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 71 E 8.60 4.15 0.00 2.32 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 2.40 2.51 0.00 72 R 8.32 3.92 0.00 1.92 1.96 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.94 0.00 73 I 7.80 3.64 1.69 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.76 0.78 0.00 0.00 74 A 8.11 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.15 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.24 3.96 0.00 2.09 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 2.29 2.36 0.00 77 A 8.31 3.96 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.32 4.03 0.00 3.97 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 79 R 8.01 3.94 0.00 2.07 1.98 0.00 3.16 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 80 L 8.28 4.09 0.00 1.88 1.76 0.93 1.19 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 81 A 8.01 3.98 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 82 H 8.53 4.09 0.00 3.21 3.49 0.00 5.61 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 8.34 4.41 0.00 2.96 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 84 N 7.88 4.51 0.00 2.79 2.73 0.00 0.00 7.09 7.55 0.00 0.00 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 K 7.78 3.81 0.00 1.87 1.85 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.34 7.81 86 R 8.21 4.66 0.00 1.73 1.82 0.00 3.30 0.00 0.00 3.39 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 87 S 8.63 4.37 0.00 3.98 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 88 T 7.61 4.52 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 89 I 8.32 4.02 1.85 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 1.46 0.48 0.87 0.00 0.00 90 T 9.04 4.60 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 91 S 8.49 4.10 0.00 4.03 4.14 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 92 R 7.85 3.88 0.00 1.89 1.95 0.00 3.08 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 93 E 8.07 3.99 0.00 2.22 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 2.40 2.46 0.00 94 I 7.61 3.65 1.80 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.80 0.81 0.00 0.00 95 Q 8.09 3.88 0.00 2.11 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 96 T 7.96 3.82 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 1.22 0.00 0.00 97 A 7.96 3.95 1.36 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 98 V 7.93 3.52 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 1.00 0.00 0.00 0.93 0.00 0.00 99 R 7.95 3.96 0.00 1.99 1.97 0.00 3.21 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 100 L 7.98 4.13 0.00 1.76 1.72 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 101 L 7.89 4.24 0.00 1.68 1.70 0.92 0.74 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 0.00 102 L 7.02 4.65 0.00 1.82 1.59 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 103 P 0.00 4.58 0.00 2.27 2.19 0.00 3.73 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 2.09 2.05 0.00 104 G 8.63 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.04 3.93 0.00 2.06 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 2.43 2.37 0.00 106 L 7.96 4.02 0.00 1.83 1.84 0.95 1.08 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 0.00 107 A 8.49 4.03 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 0.00 108 K 7.87 3.86 0.00 1.84 1.78 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.70 7.81 109 H 7.87 4.15 0.00 3.29 3.34 0.00 5.62 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.09 3.98 1.36 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 0.00 111 V 8.04 3.52 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 1.04 0.00 0.00 0.97 0.00 0.00 112 S 8.02 4.07 0.00 3.95 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 0.00 113 E 8.63 4.08 0.00 2.13 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 2.52 2.48 0.00 114 G 8.46 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 T 8.04 3.89 4.41 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 1.21 0.00 0.00 116 K 8.16 3.93 0.00 1.97 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.73 7.81 117 A 7.97 3.99 1.36 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 0.00 118 V 7.86 3.54 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 1.04 0.00 0.00 0.93 0.00 0.00 119 T 8.17 3.89 4.49 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 1.23 0.00 0.00 120 K 8.25 3.97 0.00 2.01 1.91 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.71 7.81 121 Y 8.20 3.98 0.00 3.04 3.19 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 0.00 0.00 0.00 122 T 7.97 4.16 4.49 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 1.24 0.00 0.00 123 S 8.64 4.05 0.00 4.05 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 0.00 124 S 7.39 4.18 0.00 3.54 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 *125 K 7.45 4.99 0.00 1.81 1.98 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.26 7.81 * Residues marked with a * may have inaccurate shift predictions.