NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 T 4.2946 8.1744 110.9397 61.7269 70.9705 174.5666 11 R 3.7319 8.1421 121.4758 56.9286 29.9985 174.1782 12 A 4.0424 7.4748 115.9235 52.0207 23.4978 174.0060 *15 K 3.9937 8.6548 117.6703 56.4060 32.7023 177.1141 16 T 4.2214 7.7618 117.3291 61.5215 70.8853 175.7189 17 R 3.9687 8.4727 120.8364 59.2049 30.0116 179.5930 18 S 4.1488 8.0504 115.0861 61.5941 62.9776 176.5475 19 S 4.1183 8.4709 117.3648 61.6096 62.4503 176.4239 20 R 3.9010 8.0648 121.1384 58.5101 29.8760 177.3745 21 A 4.4700 8.0407 118.0532 51.2256 19.3152 177.1389 22 G 3.7866 7.9945 105.1852 46.5145 0.0000 173.7277 23 L 4.8587 8.0411 118.2442 52.7486 44.5798 176.7754 24 Q 4.3701 9.7689 119.9773 57.9987 29.5659 177.3875 25 F 4.1778 8.5456 115.0971 56.4289 39.7809 173.9647 26 P 4.4825 0.0000 0.0000 62.3185 31.6800 177.3383 27 V 3.7336 8.8595 124.6385 65.7960 31.5716 177.9619 28 G 3.6789 8.1088 105.0351 47.9143 0.0000 175.4437 29 R 3.9238 7.9283 120.8910 59.1045 30.1938 178.5313 30 V 3.6425 7.9725 118.1064 66.1969 31.4703 177.4981 31 H 4.2053 8.5218 118.1801 59.3100 29.6781 177.2910 32 R 3.9246 8.1716 120.5313 59.4378 30.0279 178.4866 33 L 4.0754 8.4135 119.2644 57.7311 41.3605 179.4683 34 L 4.2453 8.2751 119.1154 58.0217 41.7314 179.8440 35 R 4.0597 8.2084 118.0970 59.0582 29.8115 178.9648 36 K 4.2518 8.4702 118.9562 58.6357 32.2709 178.1448 37 G 3.4398 7.8527 103.5829 43.5865 0.0000 172.8881 38 N 4.1180 7.3431 115.5642 54.4763 36.3738 174.5969 39 Y 4.3502 7.3116 115.7656 59.9366 39.0775 176.0993 40 A 4.5652 7.4121 119.2856 50.9885 22.0165 175.6221 41 E 4.1179 8.8198 120.4094 58.4441 29.9552 177.2027 42 R 4.7345 7.7035 115.0529 54.0741 33.7525 174.7571 43 V 4.3176 8.2131 119.1509 60.8160 33.8046 175.8230 44 G 3.8165 8.5363 115.8312 44.9756 0.0000 173.8088 45 A 3.9607 8.6268 122.8781 54.9064 18.7352 180.3446 46 G 3.6891 8.0630 101.6976 47.0128 0.0000 175.7362 47 A 3.9954 7.6689 123.8007 54.7584 18.3640 177.9326 48 P 4.2196 0.0000 0.0000 65.4344 31.5003 178.9381 49 V 3.5654 7.2048 119.0463 66.0752 31.5319 177.3095 50 Y 3.8951 8.2290 119.4418 60.5724 38.6284 177.7333 51 L 4.0435 8.3908 121.2769 58.1447 42.1718 178.5803 52 A 4.0848 8.3739 120.7919 55.2865 18.2461 179.3867 53 A 3.8343 8.0795 119.0951 55.3006 18.3536 180.0790 54 V 3.5433 7.8418 116.6394 66.1735 31.6529 178.2932 55 L 3.9024 8.0618 118.8612 57.5800 41.3721 179.1586 56 E 2.5400 7.7657 119.4118 58.8025 29.5071 178.2023 57 Y 3.9822 7.9385 119.6386 60.7922 38.8930 178.1444 58 L 3.5757 7.9937 119.9500 57.7719 41.5840 179.6616 59 T 3.8046 7.7226 115.5904 66.4972 68.3306 176.5281 60 A 3.9027 7.9091 122.7549 54.9821 18.4887 179.2866 61 E 3.6795 7.7121 117.7795 59.4400 29.6332 178.9810 62 I 3.6905 7.6354 118.6362 63.9800 37.9541 177.8735 63 L 3.9895 8.1168 120.1445 57.4464 41.5065 178.8427 64 E 3.8862 8.4783 119.7488 59.5332 29.6353 179.0157 65 L 3.9841 7.7914 118.1367 57.6897 41.5817 179.5065 66 A 4.2574 8.5066 121.3872 55.1033 18.3143 179.9512 67 G 3.5250 8.4882 104.6639 47.8830 0.0000 175.7663 68 N 4.3273 8.0547 118.3357 56.0774 38.6820 177.3289 69 A 3.9497 8.0430 121.9978 55.0287 18.4853 179.5433 70 A 3.3999 8.0532 119.4399 55.0178 18.3424 179.8015 71 R 3.7727 8.0397 117.2169 59.8259 29.9838 178.4208 72 D 4.3885 8.2192 117.5771 56.7983 40.7347 177.6259 73 N 4.8094 7.5940 114.2863 51.7476 39.4342 174.8942 74 K 3.9037 8.0753 118.0913 57.8016 30.3720 175.2295 75 K 4.7231 8.4608 115.9437 54.9494 35.2505 176.8400 76 T 4.4009 8.4397 109.7434 61.2753 69.9903 174.0410 77 R 4.5587 7.6842 122.7124 54.2359 31.9714 175.0464 78 I 4.0678 8.4096 126.8129 61.1611 37.8911 175.1538 79 I 4.6296 8.0468 117.2170 57.5983 40.8504 174.3069 80 P 4.2009 0.0000 0.0000 65.8995 30.8084 178.5025 81 R 3.8528 8.0065 116.7299 60.1465 29.7455 178.0945 82 H 4.3110 8.0870 115.6218 58.6941 28.5644 177.8538 83 L 3.9764 7.8546 120.4843 57.8189 41.4691 179.1522 84 Q 3.9439 8.2652 119.5650 59.1048 29.1207 178.2057 85 L 3.9607 8.3192 120.1832 57.6329 41.4349 179.2836 86 A 3.9739 7.9728 119.7438 55.2031 18.6580 179.6264 87 V 3.6671 8.0124 116.8928 66.3543 31.4803 178.4947 88 R 4.2333 8.1382 116.3381 58.4867 30.0409 177.7533 89 N 4.7638 7.8719 113.8848 52.4173 39.1505 174.0696 90 D 4.8058 7.3187 121.4339 52.1254 43.0483 175.8316 91 E 3.9249 9.0697 127.5313 59.7642 29.4950 178.7004 92 E 3.9912 8.0723 117.7091 59.4801 29.6367 179.2236 93 L 3.9718 8.8495 119.4125 57.6418 41.3899 178.9985 94 N 4.2971 8.1366 116.5223 56.5055 39.1520 176.6134 95 K 4.0796 7.9725 120.5669 59.4160 32.1468 178.4911 96 L 4.0241 7.9649 119.5652 57.3962 42.3067 178.0960 97 L 4.8285 8.2489 118.5959 54.3350 42.8220 178.9362 98 G 3.7804 7.9868 110.8418 47.9602 0.0000 175.1823 99 R 4.6673 7.8159 118.3040 55.8813 31.1346 175.2734 100 V 4.4484 7.5788 115.9713 61.2163 34.1536 174.4982 101 T 4.5009 8.3913 122.2997 61.7721 70.4361 173.8017 102 I 4.1655 8.1611 127.0964 59.3996 37.8552 175.2316 103 A 4.0299 8.5022 128.9765 53.5286 18.7250 176.4772 104 Q 3.5356 8.6391 118.7833 56.9933 26.4286 175.2619 105 G 3.6955 7.9025 108.5219 45.2879 0.0000 176.4731 106 G 3.8540 7.9700 107.6107 44.9636 0.0000 172.1744 107 V 4.5523 7.9174 111.2910 59.0437 35.5834 174.9988 108 L 4.2444 8.1958 120.7209 53.6563 42.1280 175.7103 109 P 4.2065 0.0000 0.0000 62.8950 31.6193 175.8176 110 N 4.3629 8.3516 118.6572 53.2746 40.5235 173.1838 111 I 4.4736 8.1690 127.0944 59.0409 39.5392 175.9231 112 Q 4.1014 8.5849 124.4149 55.9683 29.5728 177.1355 113 S 4.1228 9.0834 119.3144 62.0770 62.9134 177.3950 114 V 3.7603 7.7582 110.5930 63.5709 31.3198 176.9446 115 L 4.3161 7.8409 118.5016 55.4160 42.0264 177.1904 116 L 4.2307 7.6334 119.3155 53.3785 42.1587 175.0406 117 P 4.5491 0.0000 0.0000 61.7001 32.1597 175.0904 118 K 4.0906 8.9332 114.5412 57.6362 35.6089 175.2454 119 K 4.2420 8.8346 120.1719 57.7129 30.0277 176.0730 120 T 3.2781 6.9960 111.0480 62.7609 67.6868 171.5161 *128 S 4.1462 7.6402 113.6860 58.0578 63.3411 173.8971 129 K 4.1926 8.6336 125.8602 56.6021 32.0203 176.3563 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 10 T 8.17 4.29 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 11 R 8.14 3.73 0.00 1.85 2.03 0.00 3.34 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 12 A 7.47 4.04 1.23 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 0.00 0.00 0.00 *15 K 8.65 3.99 0.00 1.76 1.81 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.45 7.81 16 T 7.76 4.22 4.26 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 1.22 0.00 0.00 17 R 8.47 3.97 0.00 1.90 2.05 0.00 3.17 0.00 0.00 3.37 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 18 S 8.05 4.15 0.00 3.89 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 19 S 8.47 4.12 0.00 4.01 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 20 R 8.06 3.90 0.00 1.94 2.21 0.00 3.26 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 21 A 8.04 4.47 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 22 G 7.99 3.79 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 0.00 0.00 0.00 23 L 8.04 4.86 0.00 1.64 1.77 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 9.77 4.37 0.00 2.33 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 25 F 8.55 4.18 0.00 2.94 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 26 P 0.00 4.48 0.00 2.26 2.18 0.00 3.57 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.90 0.00 27 V 8.86 3.73 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 1.11 0.00 0.00 0.97 0.00 0.00 28 G 8.11 3.68 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 0.00 0.00 0.00 29 R 7.93 3.92 0.00 1.89 2.08 0.00 3.16 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 30 V 7.97 3.64 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 1.04 0.00 0.00 1.06 0.00 0.00 31 H 8.52 4.21 0.00 3.40 3.42 0.00 5.64 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 32 R 8.17 3.92 0.00 1.95 2.03 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 33 L 8.41 4.08 0.00 1.90 1.79 0.96 0.54 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 34 L 8.28 4.25 0.00 1.97 1.82 0.92 0.62 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 35 R 8.21 4.06 0.00 2.04 1.99 0.00 3.08 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.89 0.00 36 K 8.47 4.25 0.00 1.82 2.04 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.45 7.81 37 G 7.85 3.44 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 0.00 38 N 7.34 4.12 0.00 2.70 2.75 0.00 0.00 6.90 7.34 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 39 Y 7.31 4.35 0.00 3.02 2.97 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 40 A 7.41 4.57 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.82 4.12 0.00 1.93 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 2.30 2.40 0.00 42 R 7.70 4.73 0.00 1.80 1.79 0.00 3.21 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 43 V 8.21 4.32 2.22 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 0.84 0.00 0.00 1.02 0.00 0.00 44 G 8.54 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 45 A 8.63 3.96 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 46 G 8.06 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 47 A 7.67 4.00 1.27 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 0.00 0.00 0.00 48 P 0.00 4.22 0.00 2.43 2.33 0.00 3.65 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.59 0.00 49 V 7.20 3.57 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 0.99 0.00 0.00 0.99 0.00 0.00 50 Y 8.23 3.90 0.00 3.25 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 51 L 8.39 4.04 0.00 1.86 1.76 0.94 1.24 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 52 A 8.37 4.08 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 53 A 8.08 3.83 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 54 V 7.84 3.54 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 1.18 0.00 0.00 1.05 0.00 0.00 55 L 8.06 3.90 0.00 1.81 1.74 1.07 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.77 2.54 0.00 1.54 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 2.14 2.08 0.00 57 Y 7.94 3.98 0.00 3.01 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 58 L 7.99 3.58 0.00 1.63 1.60 0.95 0.74 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 59 T 7.72 3.80 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 1.33 0.00 0.00 60 A 7.91 3.90 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 61 E 7.71 3.68 0.00 1.54 1.78 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 2.13 2.24 0.00 62 I 7.64 3.69 1.82 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 1.51 1.40 0.96 0.00 0.00 63 L 8.12 3.99 0.00 1.70 1.69 0.95 0.70 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 64 E 8.48 3.89 0.00 2.09 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 0.00 2.29 2.38 0.00 65 L 7.79 3.98 0.00 1.74 1.69 0.95 0.55 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 66 A 8.51 4.26 1.38 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 0.00 0.00 0.00 67 G 8.49 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 68 N 8.05 4.33 0.00 2.99 2.86 0.00 0.00 6.82 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 69 A 8.04 3.95 1.38 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 0.00 0.00 0.00 70 A 8.05 3.40 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 71 R 8.04 3.77 0.00 1.96 2.07 0.00 3.10 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 1.61 1.66 0.00 72 D 8.22 4.39 0.00 2.83 2.72 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 73 N 7.59 4.81 0.00 2.80 2.85 0.00 0.00 7.13 6.92 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 74 K 8.08 3.90 0.00 1.86 1.86 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.38 7.81 75 K 8.46 4.72 0.00 1.72 1.71 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.53 1.56 7.81 76 T 8.44 4.40 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 77 R 7.68 4.56 0.00 1.77 1.85 0.00 3.24 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 78 I 8.41 4.07 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 1.49 0.66 0.95 0.00 0.00 79 I 8.05 4.63 1.82 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.72 0.90 0.00 0.00 80 P 0.00 4.20 0.00 2.31 2.28 0.00 3.59 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 2.15 0.00 81 R 8.01 3.85 0.00 1.85 1.79 0.00 3.26 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 82 H 8.09 4.31 0.00 3.38 3.49 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 7.85 3.98 0.00 1.86 1.72 0.93 1.04 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 84 Q 8.27 3.94 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.58 2.44 0.00 85 L 8.32 3.96 0.00 1.87 1.71 0.96 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.97 3.97 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 87 V 8.01 3.67 2.15 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 1.07 0.00 0.00 0.95 0.00 0.00 88 R 8.14 4.23 0.00 1.81 1.98 0.00 3.39 0.00 0.00 3.33 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.81 0.00 89 N 7.87 4.76 0.00 2.91 2.85 0.00 0.00 6.78 7.45 0.00 0.00 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 D 7.32 4.81 0.00 2.80 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.07 3.92 0.00 2.07 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 92 E 8.07 3.99 0.00 2.06 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 2.41 2.41 0.00 93 L 8.85 3.97 0.00 1.67 1.70 0.88 0.53 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 94 N 8.14 4.30 0.00 2.94 3.04 0.00 0.00 7.19 6.28 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 95 K 7.97 4.08 0.00 1.91 1.93 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.45 7.81 96 L 7.96 4.02 0.00 1.66 1.86 0.93 1.18 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 97 L 8.25 4.83 0.00 1.74 1.63 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 98 G 7.99 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 99 R 7.82 4.67 0.00 1.77 1.90 0.00 3.32 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 100 V 7.58 4.45 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 0.81 0.00 0.00 0.94 0.00 0.00 101 T 8.39 4.50 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 0.00 102 I 8.16 4.17 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 1.35 0.71 0.91 0.00 0.00 103 A 8.50 4.03 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 0.00 104 Q 8.64 3.54 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 105 G 7.90 3.70 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 0.00 0.00 0.00 106 G 7.97 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 0.00 107 V 7.92 4.55 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 0.78 0.00 0.00 0.93 0.00 0.00 108 L 8.20 4.24 0.00 1.64 1.59 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.21 0.00 2.04 2.00 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 110 N 8.35 4.36 0.00 2.60 2.67 0.00 0.00 7.04 7.94 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 0.00 111 I 8.17 4.47 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 0.77 0.91 0.00 0.00 112 Q 8.58 4.10 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.78 0.00 0.00 0.00 0.00 0.00 2.45 2.33 0.00 113 S 9.08 4.12 0.00 3.88 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 0.00 114 V 7.76 3.76 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 0.70 0.00 0.00 0.93 0.00 0.00 115 L 7.84 4.32 0.00 1.75 1.71 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.63 4.23 0.00 1.65 1.59 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 117 P 0.00 4.55 0.00 2.17 2.08 0.00 3.93 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 118 K 8.93 4.09 0.00 1.92 1.87 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.29 1.09 7.81 119 K 8.83 4.24 0.00 1.85 1.86 0.00 1.82 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.47 7.81 120 T 7.00 3.28 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 *128 S 7.64 4.15 0.00 3.89 3.81 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 0.00 129 K 8.63 4.19 0.00 1.78 1.69 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.41 7.81 * Residues marked with a * may have inaccurate shift predictions.