NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.0209 8.3349 116.6578 58.0575 64.2817 176.5786 *2 I 4.3696 8.4067 131.3481 62.2492 38.5659 172.9765 3 Q 5.2612 8.9776 125.1471 53.9935 31.9491 174.3458 4 A 5.1713 9.1323 125.4244 50.3527 22.3767 174.9048 5 T 5.0869 8.8247 118.7861 61.9340 71.6713 173.0959 6 F 5.2766 9.7833 126.1682 55.9367 41.2648 175.5670 7 I 4.5609 8.6707 122.9096 59.5027 40.1781 174.3418 8 R 4.9205 8.6138 127.0187 54.5204 32.8808 174.4572 9 R 4.9464 8.7691 125.0507 54.8159 33.8049 175.9318 10 K 3.8097 9.2040 123.7520 57.3689 30.3337 176.4028 11 G 4.0104 8.5661 107.5535 44.9548 0.0000 174.1060 12 I 4.3740 7.2050 113.0947 58.6493 39.4242 175.0783 13 L 4.1549 8.2205 123.4427 54.9159 42.1412 176.3655 14 E 4.8541 9.0060 122.7689 57.3268 32.6302 176.1159 15 S 5.4846 7.8476 111.8269 57.0197 66.8573 173.6568 16 V 4.7957 9.0701 120.6350 59.9271 34.6995 173.6884 17 E 4.6884 9.0430 125.1259 54.2677 31.9565 174.3516 18 L 5.3910 8.1748 126.1120 53.0680 45.4480 175.4180 19 T 4.8251 9.0981 112.6974 61.1891 71.7974 175.0294 20 G 4.2192 9.0725 111.9883 45.5078 0.0000 174.4481 21 H 4.0504 8.2294 114.1686 57.5974 28.3972 175.0444 22 A 4.2104 7.7363 123.2597 50.2626 18.1656 175.7674 *24 S 4.2406 8.3167 116.3251 59.6895 63.5262 173.7515 25 G 4.0363 8.1660 113.9799 43.7148 0.0000 171.6476 26 E 4.2931 8.5425 118.3147 55.8555 31.5544 176.6546 27 Y 4.1562 8.8126 119.1037 61.2080 38.6424 178.2354 28 G 3.8166 8.4313 105.7190 47.9784 0.0000 175.1438 29 F 3.1508 7.6375 122.1229 60.6245 39.4931 176.7481 30 D 4.1224 7.8535 118.5699 57.3925 40.5485 179.1387 31 I 3.4350 7.2044 120.0003 64.2091 37.0692 178.5737 32 V 3.4589 7.2109 118.8508 66.0880 31.1908 177.6746 33 C 3.7125 7.7939 116.4614 62.6669 27.8330 175.9709 34 A 3.8556 7.7864 121.8609 55.0574 17.9598 179.4711 35 A 3.8747 7.8235 119.2155 55.3395 18.3746 180.1147 36 V 3.5682 7.8896 116.7744 66.2598 31.4099 178.4421 37 S 4.0842 8.0764 114.0589 61.7974 62.7113 176.5060 38 T 4.0122 7.8706 117.5252 66.7215 68.4612 176.3904 39 L 4.3288 8.0284 120.8077 57.8324 41.6658 180.0128 40 S 4.0780 8.3147 111.4464 59.4916 62.3853 175.4853 *42 N 4.5923 8.0936 123.0014 53.5521 40.7147 176.1262 43 L 3.7906 8.1023 119.6698 58.0973 42.0216 179.2117 44 V 3.3893 7.2962 117.4498 66.0071 31.4363 177.7723 45 N 4.2524 7.9678 115.4478 56.3160 38.4302 177.1794 46 A 4.0155 8.4577 122.5242 54.8782 18.4504 179.4999 47 L 3.9335 8.2737 120.3819 58.6660 41.5295 180.2562 48 E 4.1215 7.7309 117.7004 60.7850 29.8248 181.0005 49 V 3.9352 8.0150 118.6342 64.9877 31.7374 176.6488 50 L 4.5151 8.2320 116.0857 54.5877 43.3373 176.9603 51 A 4.5673 7.8567 118.7661 50.7550 19.6900 175.1658 52 D 4.2771 8.1201 114.7914 56.4177 39.2811 173.6647 53 C 4.6538 7.9003 117.6595 57.3230 33.7142 172.4696 54 T 4.2445 8.5627 122.6465 61.9408 67.4243 173.3042 55 V 4.3312 8.0922 128.7149 61.3559 33.6028 174.6711 56 S 4.5924 8.2096 120.7015 57.4510 63.8638 172.6678 57 L 5.0087 8.3439 128.2197 53.7758 44.5430 174.8723 58 Q 4.6874 8.7250 127.5574 54.2654 31.8800 173.9259 *60 D 4.5505 8.3048 120.1673 53.4871 40.9353 175.8701 61 E 4.4363 8.9069 120.1162 56.9462 30.4080 177.3178 *62 F 4.0994 8.4271 118.9574 57.7082 39.1599 179.8647 63 D 4.3142 9.3893 119.5204 54.5816 38.9137 173.1154 64 G 3.9945 7.5889 112.4919 44.0808 0.0000 172.7890 65 G 4.1129 9.6229 105.3334 45.9331 0.0000 171.4658 66 Y 5.4601 8.2953 120.8622 55.0862 43.1243 173.7775 *68 K 4.0464 8.4094 120.5106 56.2588 33.7359 174.0884 69 I 4.7656 8.3730 128.5875 59.6912 39.1735 174.1888 70 D 5.1474 9.1495 127.0958 52.6360 43.8814 175.6841 71 L 4.7652 9.4338 125.4597 54.5504 42.3410 178.5215 72 S 3.9835 8.7936 117.1045 61.4457 62.7555 174.9517 73 Y 4.4561 7.9265 114.0610 57.5668 38.5572 175.2285 74 I 4.2267 7.8349 123.2377 60.4166 38.1847 176.8995 75 T 3.8949 8.7676 120.2250 64.5244 67.5707 174.4031 76 N 5.0348 7.9158 118.0056 51.9158 37.9207 176.6119 77 K 3.9109 7.8676 121.3727 60.7128 32.4292 177.4115 78 S 4.5693 7.8705 111.0307 57.8051 63.6167 174.1038 79 D 4.4141 7.8535 121.5784 54.7799 42.6479 176.4807 80 E 3.9265 8.8370 126.2026 59.5894 29.7129 179.4527 81 K 4.0480 8.2088 117.9669 59.1310 32.2429 179.3106 82 V 3.5895 7.9653 118.1038 66.3754 31.5366 178.0893 83 Q 4.1945 8.4501 117.8790 58.5449 28.4569 178.4856 84 L 3.9741 8.0600 121.6270 58.2331 42.1970 179.0290 85 L 4.0541 7.9198 118.8869 57.7484 41.4488 179.3625 86 F 4.4153 8.4405 120.6226 61.4777 39.2947 177.0131 87 E 3.9636 8.9226 118.5214 59.3637 29.2537 179.2017 88 A 4.0042 8.3333 120.8434 55.0717 18.4774 179.3678 89 F 4.1775 8.5669 119.1989 61.5118 39.4470 177.0150 90 L 3.5325 8.4445 120.1364 57.8398 41.6719 178.6185 91 L 3.9296 8.1723 120.5837 58.1289 42.0511 179.2752 92 G 3.5160 7.9942 105.5537 47.7925 0.0000 175.7374 93 I 3.6395 7.4420 122.3185 64.3271 37.1295 178.6347 94 T 3.8188 8.0257 116.8301 66.7777 68.2680 176.3660 95 N 4.3340 8.3204 118.4626 56.2952 38.5311 177.4786 96 L 3.9841 8.0341 120.1175 57.7550 41.5136 179.2110 97 A 4.2521 8.1023 119.9078 55.4717 18.3149 179.2595 98 E 4.0863 8.1462 116.0229 59.3342 29.6938 178.6437 99 N 4.6522 8.2175 115.2920 54.4226 40.0910 175.6721 100 S 5.0793 8.8148 115.5279 55.6573 63.5978 173.7538 101 P 4.5877 0.0000 0.0000 64.8812 31.3422 177.9493 102 E 3.9712 8.0626 116.5929 58.0190 29.6260 177.8544 103 F 5.2658 8.2490 116.2011 56.9928 41.1998 175.1781 104 V 4.8993 7.7189 120.1099 61.4530 35.0555 173.9536 105 T 4.8982 9.3720 123.6123 61.6762 72.1833 172.6090 106 A 5.3454 8.7937 126.8746 50.0697 21.9391 175.4124 107 K 4.6621 9.4211 121.0576 54.7303 35.4902 175.8728 108 I 4.8474 8.3579 124.7596 59.5174 40.5299 174.8244 *110 T 4.3273 8.1864 111.9852 61.9485 69.5395 174.0275 111 Q 4.1283 9.0852 122.4155 56.2514 29.6826 175.0950 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 0 S 8.33 4.02 0.00 3.46 2.81 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 *2 I 8.41 4.37 2.02 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.00 1.03 0.00 0.00 3 Q 8.98 5.26 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 4 A 9.13 5.17 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 5 T 8.82 5.09 4.25 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 1.26 0.00 0.00 6 F 9.78 5.28 0.00 2.80 2.89 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 7 I 8.67 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 1.16 1.05 0.95 0.00 0.00 8 R 8.61 4.92 0.00 1.79 1.71 0.00 3.06 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 9 R 8.77 4.95 0.00 1.70 1.74 0.00 3.53 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 10 K 9.20 3.81 0.00 1.88 1.85 0.00 1.58 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.39 7.81 11 G 8.57 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 0.00 0.00 0.00 12 I 7.21 4.37 2.02 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 1.35 1.26 0.90 0.00 0.00 13 L 8.22 4.15 0.00 1.05 0.14 0.60 0.59 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 14 E 9.01 4.85 0.00 1.89 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 2.22 2.36 0.00 15 S 7.85 5.48 0.00 4.02 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 16 V 9.07 4.80 1.94 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 0.64 0.00 0.00 0.17 0.00 0.00 17 E 9.04 4.69 0.00 2.00 1.79 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 2.18 2.10 0.00 18 L 8.17 5.39 0.00 1.55 1.50 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 19 T 9.10 4.83 4.36 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 1.42 0.00 0.00 20 G 9.07 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 0.00 0.00 0.00 0.00 21 H 8.23 4.05 0.00 3.24 3.47 0.00 5.51 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.74 4.21 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 *24 S 8.32 4.24 0.00 3.93 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 25 G 8.17 4.04 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 0.00 26 E 8.54 4.29 0.00 2.36 2.25 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 2.57 2.62 0.00 27 Y 8.81 4.16 0.00 3.13 3.08 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 28 G 8.43 3.82 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 0.00 0.00 0.00 29 F 7.64 3.15 0.00 2.47 2.99 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 30 D 7.85 4.12 0.00 2.62 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 31 I 7.20 3.43 1.74 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.39 0.81 0.00 0.00 32 V 7.21 3.46 1.80 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 1.07 0.00 0.00 1.03 0.00 0.00 33 C 7.79 3.71 0.00 2.73 2.68 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 0.00 0.00 0.00 0.00 34 A 7.79 3.86 1.28 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 0.00 0.00 35 A 7.82 3.87 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 0.00 0.00 0.00 0.00 0.00 36 V 7.89 3.57 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 1.16 0.00 0.00 0.96 0.00 0.00 37 S 8.08 4.08 0.00 3.82 3.87 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 0.00 0.00 0.00 38 T 7.87 4.01 4.40 0.00 0.00 0.00 0.00 0.00 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 39 L 8.03 4.33 0.00 2.04 2.06 0.89 0.91 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 40 S 8.31 4.08 0.00 3.94 3.72 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 *42 N 8.09 4.59 0.00 2.92 2.87 0.00 0.00 6.72 6.66 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 43 L 8.10 3.79 0.00 1.48 1.29 0.74 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.30 3.39 1.95 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 0.88 0.00 0.00 0.79 0.00 0.00 45 N 7.97 4.25 0.00 2.72 2.81 0.00 0.00 6.97 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 A 8.46 4.02 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 47 L 8.27 3.93 0.00 1.78 1.66 0.65 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 48 E 7.73 4.12 0.00 2.08 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 2.26 2.05 0.00 49 V 8.02 3.94 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 0.98 0.00 0.00 0.97 0.00 0.00 50 L 8.23 4.52 0.00 1.78 1.67 0.92 0.69 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 51 A 7.86 4.57 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 52 D 8.12 4.28 0.00 2.74 2.69 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 53 C 7.90 4.65 0.00 3.11 2.83 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 54 T 8.56 4.24 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 55 V 8.09 4.33 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 0.72 0.00 0.00 0.80 0.00 0.00 56 S 8.21 4.59 0.00 4.02 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 57 L 8.34 5.01 0.00 1.53 1.42 0.79 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 8.72 4.69 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.27 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 *60 D 8.30 4.55 0.00 2.91 2.89 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 61 E 8.91 4.44 0.00 1.99 2.03 0.00 0.00 0.00 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 2.25 0.00 *62 F 8.43 4.10 0.00 2.23 2.16 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 63 D 9.39 4.31 0.00 2.70 2.83 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 64 G 7.59 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 0.00 0.00 0.00 65 G 9.62 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 0.00 0.00 0.00 66 Y 8.30 5.46 0.00 2.90 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.41 4.05 0.00 1.67 1.71 0.00 1.84 0.00 0.00 1.95 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.62 7.81 69 I 8.37 4.77 1.63 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.38 0.62 0.00 0.00 70 D 9.15 5.15 0.00 2.71 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 9.43 4.77 0.00 1.91 1.73 1.08 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.79 3.98 0.00 3.77 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 73 Y 7.93 4.46 0.00 3.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.83 4.23 2.00 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 1.25 1.52 0.96 0.00 0.00 75 T 8.77 3.89 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 1.23 0.00 0.00 76 N 7.92 5.03 0.00 2.90 2.99 0.00 0.00 5.98 6.70 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 77 K 7.87 3.91 0.00 1.98 2.25 0.00 1.67 0.00 0.00 1.98 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.41 7.81 78 S 7.87 4.57 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.85 4.41 0.00 2.84 2.66 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 80 E 8.84 3.93 0.00 2.08 1.95 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 2.39 2.42 0.00 81 K 8.21 4.05 0.00 1.98 1.85 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.50 7.81 82 V 7.97 3.59 2.28 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 1.22 0.00 0.00 0.95 0.00 0.00 83 Q 8.45 4.19 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.67 2.53 0.00 84 L 8.06 3.97 0.00 1.90 1.85 0.94 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.92 4.05 0.00 1.94 1.71 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 86 F 8.44 4.42 0.00 3.34 3.01 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 87 E 8.92 3.96 0.00 2.19 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 2.58 2.48 0.00 88 A 8.33 4.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 F 8.57 4.18 0.00 3.25 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 90 L 8.44 3.53 0.00 1.44 1.69 -0.35 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.17 3.93 0.00 1.87 1.85 0.88 1.28 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 92 G 7.99 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 I 7.44 3.64 1.82 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 0.76 0.46 1.06 0.00 0.00 94 T 8.03 3.82 4.28 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 1.15 0.00 0.00 95 N 8.32 4.33 0.00 2.86 2.86 0.00 0.00 7.08 7.23 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 96 L 8.03 3.98 0.00 1.87 1.74 0.94 0.75 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 97 A 8.10 4.25 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.15 4.09 0.00 2.12 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 0.00 2.52 2.47 0.00 99 N 8.22 4.65 0.00 2.80 2.89 0.00 0.00 6.83 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 0.00 100 S 8.81 5.08 0.00 4.05 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 0.00 101 P 0.00 4.59 0.00 2.15 2.19 0.00 3.44 0.00 0.00 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 102 E 8.06 3.97 0.00 1.75 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 1.47 1.47 0.00 103 F 8.25 5.27 0.00 3.15 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 0.00 104 V 7.72 4.90 2.17 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 1.08 0.00 0.00 1.06 0.00 0.00 105 T 9.37 4.90 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 1.25 0.00 0.00 106 A 8.79 5.35 1.29 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 0.00 0.00 107 K 9.42 4.66 0.00 1.71 1.74 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.43 7.81 108 I 8.36 4.85 1.85 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.62 0.84 0.00 0.00 *110 T 8.19 4.33 4.23 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 1.19 0.00 0.00 111 Q 9.09 4.13 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.58 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.