NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 P 4.3103 0.0000 0.0000 62.4967 32.8022 176.8172 13 K 4.0412 7.5507 121.5162 57.1356 32.8667 174.4367 14 E 3.9351 8.7841 119.1525 59.1874 29.8103 178.5067 15 L 3.2688 7.3954 119.3587 57.1484 41.5685 178.9927 16 V 3.5717 6.4337 117.5299 66.3997 31.4601 177.4473 17 N 4.2202 7.5101 114.4817 56.4714 38.4228 176.7239 18 E 3.8733 7.5032 118.8212 59.2110 29.7175 178.4642 19 W 4.5842 8.1113 118.8293 60.5462 29.1565 178.4399 20 S 4.1516 8.6748 114.8582 61.9357 62.2771 176.8922 21 L 4.0373 7.9348 120.7571 57.9373 41.3868 179.7147 22 K 3.9295 8.4693 118.4438 59.6684 31.8493 179.0519 23 I 3.6910 8.1116 118.7619 64.7693 37.2137 178.0384 24 R 4.0327 8.5841 118.4127 59.3331 30.0016 178.1271 25 K 4.1401 8.4267 119.8660 59.1362 32.4820 179.7034 26 E 4.2391 8.4519 121.6417 55.8427 28.8367 179.3402 *28 R 4.2222 7.9493 119.0791 56.3765 32.6781 178.4770 29 V 3.5560 7.5750 117.0519 66.0185 31.3969 178.1981 30 V 3.5185 8.0457 118.1224 66.0573 31.2883 177.5712 31 D 4.2230 8.0154 118.0437 57.3632 40.7670 178.4286 32 R 3.8572 8.3399 119.3883 59.8552 30.0466 178.5268 33 Q 3.9953 8.4087 117.9328 58.9100 28.5948 178.9584 34 I 3.5999 7.6348 120.9079 64.3383 37.2283 178.2932 35 R 3.8662 8.1600 119.8779 59.5308 29.6534 178.3337 36 D 4.2652 8.0634 118.4766 57.4161 40.9896 178.3543 37 I 3.6685 7.6685 120.2149 64.9199 37.1853 178.4571 38 Q 3.9895 8.2712 118.4957 58.9887 27.3798 178.6750 39 R 4.6872 7.8034 120.8304 58.9028 30.0448 178.1339 40 E 4.2774 8.4842 119.5661 59.0097 29.5391 178.5458 41 E 4.0157 8.2388 118.8973 58.9991 29.4820 178.6841 42 E 3.9320 8.2356 118.9256 59.6560 29.5589 179.8934 43 K 3.9035 7.4337 118.0785 59.5991 32.2116 179.4551 44 V 3.5722 7.6520 118.3636 65.9936 31.2458 177.7964 45 K 3.8683 8.3271 119.4322 59.6367 31.9610 178.9781 46 R 3.8881 8.0107 118.0944 59.3085 30.0195 179.0004 47 S 4.0883 8.0659 114.3963 61.7882 62.8193 176.5392 48 V 3.5757 7.9793 120.8791 66.2103 31.1271 178.1076 49 K 3.9285 8.0127 117.6898 59.5887 31.9824 178.6847 50 D 4.3603 8.4228 119.1720 57.7430 40.8515 179.1079 51 A 4.0049 8.6247 120.8653 54.9905 18.3000 179.4809 52 A 3.8877 8.1650 119.3934 55.5086 18.3397 180.0557 53 K 4.0978 8.3029 115.7265 59.0288 32.1183 178.6878 54 K 4.4516 7.9217 116.3816 55.3156 32.1767 177.1158 55 G 3.9415 8.2828 106.8776 46.6823 0.0000 176.1685 56 Q 4.2920 7.7686 120.9421 54.3263 26.5771 176.5868 57 K 3.9063 8.2309 123.9134 59.6427 32.5830 178.0324 58 D 4.3804 8.1324 118.3646 57.4357 40.6589 179.0446 59 V 3.6024 7.7386 118.1563 66.0802 31.5902 177.7380 60 C 4.1056 7.8656 115.9120 62.8840 28.0254 175.8509 61 I 3.6613 7.9973 121.7376 64.5822 36.5180 178.3893 62 V 3.5646 7.5407 117.0733 66.1516 31.7212 177.4912 63 L 4.0866 8.3574 118.7034 57.7510 41.2684 179.1089 64 A 3.9861 8.1382 119.9180 55.6350 18.5324 179.4529 65 K 4.0192 8.2002 116.3719 59.5186 32.0363 179.2106 66 E 4.1335 7.9748 115.7334 57.2302 29.2071 178.2154 *68 I 4.0191 7.6060 111.5377 60.6901 39.6774 177.3096 69 R 3.8551 8.1273 121.8620 59.0601 29.6670 178.3560 70 S 4.0916 8.0845 114.3680 61.7196 62.8144 176.6375 71 R 3.9324 8.0470 120.0555 59.5041 29.7762 178.9711 72 K 3.9140 8.3393 117.9074 59.3632 32.1656 179.1125 73 A 3.9630 8.0844 120.9938 55.3191 18.2859 179.8946 74 V 3.4851 8.3803 116.9637 66.0302 31.5234 177.9069 75 S 4.1944 8.3814 113.1480 61.5796 62.2859 175.8619 76 K 3.7718 8.3415 122.2851 59.7014 31.6474 178.6677 77 L 3.9301 7.7430 118.5935 58.1009 41.6004 178.9471 78 Y 4.1524 8.2820 116.7796 60.9862 37.7705 178.4958 79 A 3.9912 8.8455 122.1053 55.4349 18.2446 179.6082 80 S 4.1619 7.8893 112.1921 61.9121 63.0364 176.5436 81 K 4.0161 8.1228 120.7590 59.6136 32.0581 178.1861 82 A 4.1479 8.2102 120.9270 55.3250 18.2862 179.2366 83 H 3.9765 8.0108 114.3417 57.1294 30.4088 177.0421 *85 N 4.6431 8.1793 120.1962 53.4775 40.5321 176.5375 86 S 4.1922 8.4375 112.2041 61.4905 62.5046 175.7235 87 V 3.7161 7.8535 118.2560 65.8958 31.2645 177.9661 88 L 4.0618 7.3310 116.8817 55.6736 41.2413 177.1508 *90 G 3.7347 8.0508 103.9079 44.8641 0.0000 175.4467 *92 K 4.1091 8.0809 121.5734 56.1623 33.4963 176.8842 93 N 4.2855 8.1870 116.0763 57.1233 38.2575 176.3317 94 Q 4.0867 8.7420 119.3542 59.3192 28.6474 179.6622 95 L 3.8044 7.4772 117.9768 58.0251 41.7588 179.1141 96 A 4.3624 9.0298 119.9945 53.6967 18.6512 178.6350 97 V 3.8690 7.4034 117.9888 62.2148 29.3929 173.4122 98 L 3.7908 7.8617 122.0367 53.9025 42.6994 177.1163 *102 G 4.6229 8.2292 111.1584 46.3084 0.0000 170.4171 103 S 4.2668 7.5660 117.7356 57.7589 65.6522 173.8141 104 L 4.5464 8.3375 125.6233 54.8391 44.7348 175.5205 105 Q 4.5107 8.6947 125.7413 54.1468 30.7495 176.2980 106 K 4.2781 8.2604 124.4092 55.8807 30.5105 177.2609 107 S 4.3786 8.0458 122.7519 59.2257 61.1716 175.2415 108 T 3.8783 8.1758 117.3335 64.1187 67.7120 174.9192 109 E 4.0767 8.0764 120.3405 60.2982 30.2532 179.1623 110 V 3.9735 7.5308 112.1116 60.8652 30.3158 177.2173 *112 K 4.2585 7.7982 118.4124 56.8316 34.8773 176.9390 113 A 4.1726 7.4888 122.8246 52.5066 17.8944 178.8720 *115 Q 4.2156 8.1302 122.5822 57.1314 30.6893 175.6644 116 S 4.5023 7.6875 110.0408 58.1407 63.9742 174.4982 117 L 4.2756 7.5881 122.9050 56.9998 42.4924 177.9231 118 V 4.2614 7.5548 111.1397 61.0908 31.0873 176.1872 119 K 4.6038 8.1942 117.9267 56.3014 32.1123 176.6325 120 I 4.4197 7.3583 120.3030 61.3676 39.5376 175.9319 121 P 4.8610 0.0000 0.0000 67.4479 31.7450 177.6765 122 E 4.1277 8.1612 116.5381 58.9604 29.6053 178.1458 123 I 4.0704 7.6564 109.5730 61.9703 38.9236 176.8458 124 Q 3.8681 9.4753 123.7545 59.0913 28.6288 178.4259 125 A 4.0811 7.5782 119.1082 53.9785 17.8709 176.4912 126 T 3.6418 7.9713 105.5399 61.6272 70.5463 176.3293 *128 R 4.9353 8.1200 123.3812 57.0733 32.2022 176.4880 129 E 4.1555 9.5406 118.2341 58.6459 29.5218 178.2256 130 L 3.9769 7.6863 117.8249 57.7285 41.8142 178.7444 131 S 4.0298 7.9073 111.6653 61.0698 62.2108 175.9714 132 K 4.0132 7.2677 120.4785 59.0551 33.3933 175.8188 133 E 4.0295 7.6226 118.9093 56.0886 31.1083 176.7992 *136 K 4.1966 8.1056 119.0438 55.6891 33.3796 175.7475 137 A 4.9557 9.0240 116.7818 51.2122 21.4103 178.0407 138 G 3.8679 7.6899 114.6356 45.6580 0.0000 174.9161 139 I 3.7538 8.4946 120.2424 61.2493 37.2153 174.0506 140 I 3.8227 7.5207 119.0539 62.2306 39.0383 178.6437 *161 A 4.1749 7.6267 128.8577 52.3625 20.1598 177.4996 162 E 4.1824 8.2210 114.2211 56.5628 27.2228 177.1908 *164 E 4.2440 8.3751 122.2593 56.6565 31.3798 178.1985 165 I 3.3761 6.9200 116.2184 64.5402 37.2519 177.0044 166 D 4.4670 8.3514 119.2916 57.9625 40.6791 179.7874 167 R 3.9697 7.8804 117.5133 59.5196 30.0156 179.0540 168 I 3.8200 8.7625 118.7303 64.2820 37.0461 178.3464 169 L 4.1232 8.1618 120.0238 57.6024 41.3260 178.7837 170 F 4.1535 8.2382 120.2639 61.8028 39.0925 177.1449 171 E 3.9744 8.9668 116.9929 57.8595 30.0543 177.8126 172 I 4.6855 9.6175 110.8943 61.4827 40.8582 175.2222 173 T 4.2546 7.4049 118.0457 61.1767 68.5989 173.7849 174 A 4.0395 8.4357 119.0706 50.8641 20.8027 177.0042 175 G 3.7808 8.2781 104.2878 47.9329 0.0000 173.4665 176 A 4.1176 7.4470 125.8785 52.0249 19.3493 175.4400 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 12 P 0.00 4.31 0.00 2.17 2.00 0.00 3.54 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 13 K 7.55 4.04 0.00 1.82 1.74 0.00 1.70 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 14 E 8.78 3.94 0.00 2.10 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 0.00 2.22 2.27 0.00 15 L 7.40 3.27 0.00 0.91 0.13 0.69 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 16 V 6.43 3.57 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 1.09 0.00 0.00 0.97 0.00 0.00 17 N 7.51 4.22 0.00 2.78 2.82 0.00 0.00 6.76 7.54 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 18 E 7.50 3.87 0.00 1.99 1.89 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 2.37 2.37 0.00 19 W 8.11 4.58 0.00 3.63 3.09 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 0.00 0.00 0.00 20 S 8.67 4.15 0.00 4.15 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 21 L 7.93 4.04 0.00 2.03 1.76 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.47 3.93 0.00 2.04 1.92 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.52 1.58 7.81 23 I 8.11 3.69 2.08 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.77 0.93 0.00 0.00 24 R 8.58 4.03 0.00 1.88 2.14 0.00 3.33 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 25 K 8.43 4.14 0.00 1.91 2.00 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.49 7.81 26 E 8.45 4.24 0.00 2.14 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 0.00 2.54 2.50 0.00 *28 R 7.95 4.22 0.00 2.09 2.01 0.00 3.14 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 29 V 7.58 3.56 2.23 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 1.08 0.00 0.00 0.93 0.00 0.00 30 V 8.05 3.52 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 0.89 0.00 0.00 0.90 0.00 0.00 31 D 8.02 4.22 0.00 2.83 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 32 R 8.34 3.86 0.00 1.85 2.10 0.00 3.24 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 33 Q 8.41 4.00 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.63 0.00 34 I 7.63 3.60 1.81 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.54 0.71 0.00 0.00 35 R 8.16 3.87 0.00 2.00 2.03 0.00 3.08 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 36 D 8.06 4.27 0.00 2.91 2.67 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 I 7.67 3.67 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.88 0.90 0.00 0.00 38 Q 8.27 3.99 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.78 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 39 R 7.80 4.69 0.00 2.14 1.99 0.00 3.13 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 40 E 8.48 4.28 0.00 2.17 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 2.30 2.39 0.00 41 E 8.24 4.02 0.00 2.21 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 2.53 0.00 42 E 8.24 3.93 0.00 2.15 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 2.35 2.63 0.00 43 K 7.43 3.90 0.00 2.13 1.84 0.00 1.84 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.58 7.81 44 V 7.65 3.57 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 1.08 0.00 0.00 1.00 0.00 0.00 45 K 8.33 3.87 0.00 1.94 2.05 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 46 R 8.01 3.89 0.00 2.03 1.96 0.00 3.19 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 47 S 8.07 4.09 0.00 3.95 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 48 V 7.98 3.58 2.29 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 1.11 0.00 0.00 1.04 0.00 0.00 49 K 8.01 3.93 0.00 2.04 1.84 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.66 7.81 50 D 8.42 4.36 0.00 2.88 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 51 A 8.62 4.00 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 52 A 8.16 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 53 K 8.30 4.10 0.00 1.83 1.90 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.49 7.81 54 K 7.92 4.45 0.00 1.74 1.83 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.67 7.81 55 G 8.28 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 56 Q 7.77 4.29 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.21 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 57 K 8.23 3.91 0.00 1.79 1.86 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.69 7.81 58 D 8.13 4.38 0.00 2.68 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 59 V 7.74 3.60 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 1.12 0.00 0.00 0.96 0.00 0.00 60 C 7.87 4.11 0.00 3.21 2.96 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 61 I 8.00 3.66 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 1.41 0.78 0.91 0.00 0.00 62 V 7.54 3.56 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 0.83 0.00 0.00 1.00 0.00 0.00 63 L 8.36 4.09 0.00 1.74 1.72 0.92 0.65 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 64 A 8.14 3.99 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 65 K 8.20 4.02 0.00 1.94 1.89 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.63 7.81 66 E 7.97 4.13 0.00 2.04 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 2.37 0.00 *68 I 7.61 4.02 1.88 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 1.46 0.60 0.96 0.00 0.00 69 R 8.13 3.86 0.00 2.09 2.15 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 70 S 8.08 4.09 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 71 R 8.05 3.93 0.00 2.02 2.01 0.00 3.15 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 72 K 8.34 3.91 0.00 1.93 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.63 7.81 73 A 8.08 3.96 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 74 V 8.38 3.49 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 1.12 0.00 0.00 0.97 0.00 0.00 75 S 8.38 4.19 0.00 4.03 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 76 K 8.34 3.77 0.00 1.86 1.97 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.53 7.81 77 L 7.74 3.93 0.00 1.84 1.52 0.83 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 78 Y 8.28 4.15 0.00 3.15 2.90 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 79 A 8.85 3.99 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 80 S 7.89 4.16 0.00 3.99 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 81 K 8.12 4.02 0.00 1.78 2.04 0.00 1.81 0.00 0.00 1.86 0.00 0.00 3.12 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.51 1.50 7.81 82 A 8.21 4.15 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 83 H 8.01 3.98 0.00 3.37 3.34 0.00 5.65 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *85 N 8.18 4.64 0.00 3.02 2.92 0.00 0.00 6.62 7.57 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 86 S 8.44 4.19 0.00 3.82 4.17 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 0.00 0.00 0.00 0.00 87 V 7.85 3.72 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 0.76 0.00 0.00 0.91 0.00 0.00 88 L 7.33 4.06 0.00 1.70 1.75 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 *90 G 8.05 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 0.00 0.00 0.00 *92 K 8.08 4.11 0.00 1.85 1.87 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.45 7.81 93 N 8.19 4.29 0.00 2.89 3.01 0.00 0.00 7.07 7.12 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 94 Q 8.74 4.09 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.50 0.00 0.00 0.00 0.00 0.00 2.64 2.72 0.00 95 L 7.48 3.80 0.00 1.80 1.76 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 96 A 9.03 4.36 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.40 3.87 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 0.96 0.00 0.00 1.00 0.00 0.00 98 L 7.86 3.79 0.00 1.88 1.65 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 *102 G 8.23 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 S 7.57 4.27 0.00 3.97 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 0.00 104 L 8.34 4.55 0.00 1.51 1.60 1.13 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 105 Q 8.69 4.51 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.56 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 106 K 8.26 4.28 0.00 1.80 1.84 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.47 7.81 107 S 8.05 4.38 0.00 3.91 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 0.00 108 T 8.18 3.88 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 0.00 109 E 8.08 4.08 0.00 2.04 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 2.40 2.28 0.00 110 V 7.53 3.97 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 0.68 0.00 0.00 0.93 0.00 0.00 *112 K 7.80 4.26 0.00 1.87 1.97 0.00 1.57 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.59 1.45 7.81 113 A 7.49 4.17 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.13 4.22 0.00 1.99 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.79 0.00 0.00 0.00 0.00 0.00 2.21 2.38 0.00 116 S 7.69 4.50 0.00 3.86 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 0.00 117 L 7.59 4.28 0.00 1.93 1.64 0.93 1.01 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 0.00 118 V 7.55 4.26 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 0.77 0.00 0.00 0.94 0.00 0.00 119 K 8.19 4.60 0.00 1.76 1.79 0.00 1.53 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.38 7.81 120 I 7.36 4.42 1.86 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 1.42 0.83 0.94 0.00 0.00 121 P 0.00 4.86 0.00 2.05 2.03 0.00 3.71 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 122 E 8.16 4.13 0.00 1.99 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 2.35 2.34 0.00 123 I 7.66 4.07 1.86 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 1.41 0.55 0.94 0.00 0.00 124 Q 9.48 3.87 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 125 A 7.58 4.08 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 0.00 126 T 7.97 3.64 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 1.26 0.00 0.00 *128 R 8.12 4.94 0.00 1.86 2.07 0.00 3.15 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 129 E 9.54 4.16 0.00 2.07 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 2.29 2.34 0.00 130 L 7.69 3.98 0.00 1.50 1.39 0.88 0.88 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 0.00 131 S 7.91 4.03 0.00 3.76 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 0.00 132 K 7.27 4.01 0.00 1.86 1.94 0.00 1.89 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.45 1.46 7.81 133 E 7.62 4.03 0.00 2.11 2.34 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 2.54 2.37 0.00 *136 K 8.11 4.20 0.00 1.95 1.74 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.47 7.81 137 A 9.02 4.96 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 0.00 138 G 7.69 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 0.00 0.00 0.00 139 I 8.49 3.75 1.83 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.82 1.08 0.00 0.00 140 I 7.52 3.82 1.84 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 1.33 0.50 0.89 0.00 0.00 *161 A 7.63 4.17 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 0.00 162 E 8.22 4.18 0.00 2.05 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 0.00 2.40 2.34 0.00 *164 E 8.38 4.24 0.00 2.06 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 2.30 2.35 0.00 165 I 6.92 3.38 1.99 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 1.65 0.78 0.93 0.00 0.00 166 D 8.35 4.47 0.00 2.69 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 0.00 167 R 7.88 3.97 0.00 2.09 1.97 0.00 3.21 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 168 I 8.76 3.82 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.65 0.93 0.00 0.00 169 L 8.16 4.12 0.00 2.03 1.73 0.94 0.79 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 0.00 170 F 8.24 4.15 0.00 3.24 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 0.00 171 E 8.97 3.97 0.00 2.19 2.06 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 2.36 2.36 0.00 172 I 9.62 4.69 1.90 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 1.21 0.84 0.94 0.00 0.00 173 T 7.40 4.25 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 1.19 0.00 0.00 174 A 8.44 4.04 1.09 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 0.00 0.00 0.00 0.00 0.00 175 G 8.28 3.78 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 0.00 0.00 0.00 176 A 7.45 4.12 1.16 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.