NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3194 8.1749 117.3726 62.7696 69.9518 173.0479 4 R 3.8795 8.3494 121.3246 55.6642 30.4415 174.6947 5 P 4.2873 0.0000 0.0000 62.4828 32.9778 175.9594 6 R 4.4955 7.7656 119.9490 54.3788 32.5514 175.6990 7 F 4.8468 8.3239 117.6555 55.6504 42.5870 174.1146 8 L 4.9649 8.8933 126.7852 52.8955 45.3378 174.7170 9 W 5.4958 8.9567 134.6115 55.7942 33.3452 174.1793 10 Q 4.5153 8.4127 125.6002 53.7929 32.2241 174.1585 11 L 4.8048 8.1913 123.4545 53.1676 45.2343 175.5669 12 K 4.6052 8.6166 124.7046 54.5481 36.1639 175.1107 13 F 5.2469 9.1244 123.1409 55.9698 41.2062 174.4466 14 E 4.6585 9.4189 124.7929 54.7471 31.7721 174.6057 15 C 4.9412 8.7700 122.4645 55.6602 43.1219 172.8465 16 H 4.5553 8.8456 122.7759 54.1950 30.1453 174.3506 17 F 5.1862 8.3414 121.8404 55.5850 41.3612 174.9225 18 F 4.6463 9.2958 122.2088 56.2191 42.2511 174.1076 19 N 4.5016 9.7260 121.6142 54.4788 38.1656 175.7714 20 G 3.8782 8.5786 114.2438 46.6615 0.0000 172.2514 21 T 4.4392 8.9131 113.3260 61.9983 69.1312 173.8605 22 E 4.1282 8.4324 117.6017 58.2404 30.0412 181.1720 23 R 4.8100 8.2141 119.7236 54.0494 32.7509 175.4021 24 V 4.9269 8.5265 123.2780 61.0123 34.5947 174.3612 25 R 4.6336 9.0197 127.6331 54.4457 33.1404 173.3806 26 L 5.1369 8.9584 128.9332 53.3800 44.3841 174.5623 27 L 5.0713 9.1482 128.6374 53.4082 44.9275 174.5396 28 E 4.8551 9.4856 129.3197 54.9417 31.2009 174.6768 29 R 4.9878 8.9653 126.6570 54.5100 33.7281 174.6761 30 C 4.9355 8.8951 120.5317 57.9337 31.1708 172.9111 31 I 4.8250 7.9314 124.6685 59.5575 40.2286 173.7234 32 Y 4.9955 8.8116 128.9065 58.5263 40.3436 175.8731 33 N 3.9537 9.5345 126.0005 54.2921 38.0012 174.7679 34 Q 4.3957 9.2455 119.7672 55.9122 30.9314 172.9987 35 E 4.4927 8.7936 118.4694 53.4294 30.3794 174.7851 36 E 4.3885 8.8164 127.6632 56.8331 30.2585 176.3705 37 S 4.9157 9.5672 119.8769 58.3148 66.0773 174.0240 38 V 5.1601 7.6846 117.7328 61.1341 34.4941 172.7492 39 R 5.2380 9.0234 116.7901 55.7172 33.3815 173.1888 40 F 4.7573 9.2414 123.2419 56.3593 41.8033 173.3255 41 D 5.1019 7.6524 126.0602 52.0849 42.6367 176.8113 42 S 3.8151 8.8372 121.9670 61.3910 63.0845 176.4736 43 D 4.1916 8.8488 120.5126 56.4255 40.7682 177.5156 44 V 3.6750 7.7558 118.7092 63.0912 31.7933 177.1084 45 G 4.0038 9.0075 106.6992 44.9989 0.0000 172.4082 46 E 4.9918 6.9980 114.6646 55.2672 31.9656 174.6889 47 Y 4.6465 9.1960 118.3684 58.6924 38.7806 176.2408 48 R 4.8774 8.9681 120.3793 54.7033 34.9149 174.3564 49 A 4.7738 8.7987 125.4990 52.1342 18.9688 177.6462 50 V 4.3013 8.6787 114.8236 62.0513 32.7130 176.0968 51 T 4.7543 7.5858 109.5467 58.7592 71.8387 174.4344 52 E 3.9638 8.8258 121.3584 59.5921 29.0663 179.6460 53 L 4.0767 7.9863 118.1129 57.4273 41.9612 178.9135 54 G 3.7967 8.1527 104.5667 46.1910 0.0000 175.4891 55 R 3.8760 7.6269 121.7148 59.5485 29.8082 176.5173 56 P 4.1797 0.0000 0.0000 65.4857 31.1050 178.3015 57 D 3.6714 7.6283 117.1123 56.5918 40.6625 178.5114 58 A 4.1941 8.0580 121.9038 55.0268 18.5828 179.4324 59 E 4.0085 7.9437 116.0319 59.3942 29.6661 178.6475 60 Y 4.3351 7.5183 119.8946 60.2582 39.1096 177.3904 61 W 4.2148 7.9218 119.9823 59.5722 29.0017 178.3218 62 N 4.7084 8.4601 115.5233 55.5079 38.0541 176.5815 63 S 4.6404 7.5355 112.8029 58.3956 64.7622 174.8637 64 Q 4.3940 7.7369 123.7298 53.8350 27.7152 175.9867 65 K 4.0379 8.2351 122.9861 59.7294 32.8136 177.0828 66 D 4.3616 8.1691 118.3881 57.0200 40.5877 178.6750 67 L 3.8622 8.1637 121.4930 58.2053 42.0800 179.0476 68 L 3.9606 7.8500 118.4652 57.6391 41.6171 179.0798 69 E 3.9576 8.5407 119.0982 59.3861 29.3306 179.2285 70 Q 3.8690 7.8662 118.9514 59.3868 28.9697 178.5428 71 R 3.6473 7.7716 117.8793 59.0460 29.7752 179.0376 72 R 4.2877 8.2746 118.1721 59.0831 30.1807 178.4028 73 A 4.0310 8.1544 118.9906 53.4753 18.5917 179.0510 74 A 4.1026 7.6483 121.0616 54.4706 18.3603 179.5728 75 V 3.6824 7.4158 116.4918 66.2766 31.3649 177.5805 76 D 4.5176 8.1813 117.9748 56.9719 41.2034 179.0187 77 T 3.9731 7.9429 109.6450 64.9324 68.6459 173.7100 78 Y 4.7168 8.5674 121.4377 59.2969 39.6399 176.5200 79 C 4.0713 8.1018 116.1811 60.4292 36.4115 176.4020 80 R 4.0367 8.3203 119.0304 59.6418 29.9101 178.5197 81 H 4.0572 8.1188 117.4068 59.6795 29.7865 177.1103 82 N 4.3586 8.6526 118.3158 56.0809 38.3263 176.9279 83 Y 3.6721 7.9595 121.4864 60.5688 38.6607 178.3654 84 G 3.6269 7.8819 105.0541 47.3848 0.0000 175.5984 85 V 3.7729 7.3492 119.7715 65.3394 31.8949 177.5011 86 G 3.0424 7.2563 102.7987 43.7972 0.0000 174.6241 87 E 3.3788 7.3526 122.3536 59.4569 29.3129 179.1086 88 S 4.5346 8.0440 113.8233 59.8183 63.0509 174.6841 89 F 4.7974 7.4008 114.4760 56.3252 37.8516 174.8297 90 T 4.6463 6.7390 108.5430 63.4652 71.3650 176.2084 91 V 3.5851 7.5330 123.0197 65.1487 31.8454 177.4582 92 Q 4.2455 8.1226 116.7894 56.3988 29.0385 175.9258 93 R 4.0398 7.4506 119.6811 56.8294 30.4158 175.8010 94 R 5.0365 8.5509 123.1532 54.7826 34.0363 174.5447 95 V 4.5245 9.3003 124.3304 60.7578 34.5504 174.5849 96 E 4.9110 9.3246 127.9828 55.4590 29.9069 175.2244 97 P 4.8558 0.0000 0.0000 62.6303 33.1081 175.3880 98 K 4.4696 9.2394 123.6340 55.1371 33.6969 174.9563 99 V 4.9956 8.4059 127.8089 61.6948 33.1663 174.9177 100 T 4.9176 9.2255 123.9410 61.8100 72.9015 173.0093 101 V 5.1068 8.4385 123.4829 61.4680 34.4855 174.0249 102 Y 4.8184 8.3607 124.1222 55.1573 41.6555 172.5889 103 P 4.0399 0.0000 0.0000 62.6723 32.6549 174.9713 *112 H 4.2242 8.4600 118.9499 56.3346 30.2461 171.3925 113 N 5.0353 9.1489 124.8605 51.5918 43.1405 172.8140 114 L 4.8819 8.0634 122.6520 52.9765 44.1852 175.5186 115 L 3.8522 8.1307 127.3165 54.0556 43.1924 176.3449 116 V 4.4394 8.4896 123.0314 61.1304 34.4670 173.2986 117 C 5.0322 8.9940 128.6957 55.0402 42.5720 172.0293 118 S 4.9470 9.0845 123.0836 57.2059 63.8571 172.9560 119 V 5.0325 8.8863 127.0182 61.2760 33.9480 174.1729 120 S 5.1217 8.8307 122.2503 56.9231 67.0751 174.3773 121 G 3.9887 8.4596 106.4845 46.4429 0.0000 173.6624 122 F 5.2628 7.3693 114.1876 55.7613 40.9581 173.7103 123 Y 5.0538 8.8673 119.1287 56.1057 41.7534 172.8596 124 P 3.1725 0.0000 0.0000 61.5464 32.9539 177.0049 125 G 2.2151 7.6742 107.9657 46.9585 0.0000 174.0038 126 S 4.0762 6.9854 116.3389 58.2221 62.6824 172.7882 127 I 4.4024 7.5454 125.3240 60.3210 40.8167 172.7946 128 E 4.6510 8.7339 125.7338 54.4359 33.0523 175.1362 129 V 4.5876 8.3651 123.2452 61.3517 33.9066 174.4564 130 R 4.6207 8.9861 127.7383 54.2334 32.9133 175.6872 131 W 5.3260 8.3610 121.4788 55.6258 32.1680 175.1687 132 F 5.1426 9.6488 120.1209 56.2393 43.4622 173.6773 133 R 4.3031 9.6161 124.8905 54.5001 31.2632 175.5479 134 N 4.4223 9.8565 127.6753 54.5064 36.2889 176.0536 135 G 3.8807 8.5792 103.5809 45.7099 0.0000 173.5243 136 Q 4.7880 7.7265 119.0174 53.4403 30.8167 175.1019 137 E 3.8575 9.0483 126.1506 56.7960 30.2744 176.7886 138 E 4.5299 8.1599 120.1626 54.5811 32.2912 175.4843 139 K 4.3352 8.5876 123.8137 55.9632 33.2786 177.4286 140 A 4.1411 7.7982 122.2258 52.6726 19.4152 178.2462 141 G 3.9635 8.6784 107.9018 45.7165 0.0000 173.1575 142 V 4.4397 7.1835 118.9462 62.2566 32.3170 175.5329 143 V 4.6364 9.0815 127.0570 61.4713 35.2658 173.8398 144 S 5.7835 8.6383 118.6152 56.9121 65.3571 173.6765 145 T 4.0683 8.7033 112.4296 62.5236 69.5405 175.4019 146 G 3.7751 8.9051 109.4737 44.1914 0.0000 172.1444 147 L 4.3698 8.1358 120.7450 54.6343 42.4435 176.0128 148 I 4.3613 8.6912 128.5181 60.1175 39.0450 174.7683 149 Q 3.9693 8.5274 128.5794 54.4936 29.1633 175.2631 150 N 4.2808 8.4095 125.0324 54.5184 38.8013 176.6481 151 G 3.8933 8.1495 106.0840 45.1988 0.0000 173.2824 152 D 4.9688 7.4277 117.4386 52.6968 39.7783 175.5955 153 W 3.3903 8.6985 116.5062 58.1664 25.9679 173.8595 154 T 5.1162 7.3640 104.6339 60.6553 72.4466 172.3510 155 F 5.2057 8.7747 120.8277 55.8447 43.6777 173.6566 156 Q 5.1714 8.4584 116.8747 55.7522 32.6035 173.4112 157 T 4.6565 8.6777 110.8470 61.4645 71.7831 171.5636 158 L 5.2061 8.6023 127.9047 52.9492 44.8029 175.5176 159 V 4.5035 8.6964 123.9747 61.6400 33.6461 174.1996 160 M 5.1857 9.4497 128.4836 54.0845 34.7376 175.2355 161 L 4.7043 8.1780 122.7750 53.1394 45.2823 175.1362 162 E 4.6232 8.4450 126.5777 56.2079 30.1508 176.1285 163 T 4.5451 9.1327 116.8845 60.3631 73.0421 174.3084 164 V 4.6414 7.8499 119.0483 58.2720 31.3411 171.4311 165 P 4.6122 0.0000 0.0000 63.9808 31.8790 177.7578 166 R 4.4150 10.2087 125.9728 54.8606 30.7009 173.2095 167 S 4.2527 8.5735 117.4390 60.3284 62.3618 173.1209 168 G 4.1285 8.2022 115.8254 45.0403 0.0000 174.1930 169 E 4.1470 8.1176 118.7291 56.6979 31.0463 176.8917 170 V 4.4393 8.7827 122.0855 61.5624 34.2750 173.7237 171 Y 5.3438 9.0513 126.7127 57.0531 39.8991 175.1227 172 T 5.3340 9.5860 120.9340 61.9212 72.6718 172.1226 173 C 4.8276 9.1255 125.5105 54.7795 43.7601 172.0119 174 Q 5.1925 9.0954 128.4578 54.3033 31.2097 174.0823 175 V 4.7600 9.1433 126.6016 61.1069 34.5140 173.7458 176 E 4.9136 9.0690 128.0802 54.9427 31.6944 174.6092 177 H 5.1452 8.5505 123.9562 53.7554 33.0282 172.2460 178 P 4.1631 0.0000 0.0000 65.8149 31.0672 177.6158 179 S 4.2892 8.0065 112.8323 59.8781 63.3355 173.7131 180 V 4.5847 7.8008 121.1880 60.7751 33.5098 174.7283 181 T 3.9355 8.6840 118.5006 64.3428 68.7955 173.8945 182 S 4.6209 7.6122 117.4601 55.0482 64.6926 171.9308 183 P 4.4517 0.0000 0.0000 63.4470 32.0361 175.3155 184 L 4.7438 8.8788 123.1151 53.8083 43.4751 175.8762 185 T 5.8279 8.5962 112.4222 59.0129 72.1320 173.4547 186 V 4.5764 8.3038 122.3829 60.1754 34.7826 174.2465 187 E 5.4810 8.9949 122.5556 54.5207 32.9994 174.9209 188 W 5.2398 9.5228 130.5566 56.0281 34.3581 173.7075 189 R 4.5902 8.0514 125.5988 54.2954 30.9418 176.0678 190 A 3.3492 7.9178 124.9150 51.7159 18.9295 176.9051 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 3 T 8.17 4.32 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 1.21 0.00 0.00 4 R 8.35 3.88 0.00 1.86 1.90 0.00 3.27 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 5 P 0.00 4.29 0.00 1.83 1.79 0.00 3.68 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 2.08 2.08 0.00 6 R 7.77 4.50 0.00 1.59 1.72 0.00 3.28 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.48 0.00 7 F 8.32 4.85 0.00 3.10 3.05 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 8 L 8.89 4.96 0.00 1.70 1.36 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 9 W 8.96 5.50 0.00 3.55 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 10 Q 8.41 4.52 0.00 1.81 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.54 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 11 L 8.19 4.80 0.00 1.51 1.49 0.80 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.62 4.61 0.00 1.60 1.60 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.27 7.81 13 F 9.12 5.25 0.00 3.07 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 14 E 9.42 4.66 0.00 1.92 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 15 C 8.77 4.94 0.00 2.73 2.30 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 16 H 8.85 4.56 0.00 3.06 2.85 0.00 5.57 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 17 F 8.34 5.19 0.00 2.89 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 18 F 9.30 4.65 0.00 2.94 2.95 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 19 N 9.73 4.50 0.00 3.01 2.84 0.00 0.00 7.15 7.95 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 20 G 8.58 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.91 4.44 3.75 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 1.12 0.00 0.00 22 E 8.43 4.13 0.00 2.07 1.85 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 2.26 2.16 0.00 23 R 8.21 4.81 0.00 1.97 1.80 0.00 2.86 0.00 0.00 3.03 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 24 V 8.53 4.93 2.11 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 0.68 0.00 0.00 1.08 0.00 0.00 25 R 9.02 4.63 0.00 1.96 1.96 0.00 3.33 0.00 0.00 3.06 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 26 L 8.96 5.14 0.00 1.92 1.67 1.30 0.81 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 27 L 9.15 5.07 0.00 1.81 1.57 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.49 4.86 0.00 2.21 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 2.15 1.77 0.00 29 R 8.97 4.99 0.00 1.62 1.72 0.00 3.12 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.56 0.00 30 C 8.90 4.94 0.00 3.17 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 31 I 7.93 4.83 1.65 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.46 0.89 0.00 0.00 32 Y 8.81 5.00 0.00 3.43 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.53 3.95 0.00 2.60 2.30 0.00 0.00 6.76 6.64 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 34 Q 9.25 4.40 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.87 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 35 E 8.79 4.49 0.00 2.01 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 2.26 2.26 0.00 36 E 8.82 4.39 0.00 1.97 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 37 S 9.57 4.92 0.00 4.03 4.20 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 38 V 7.68 5.16 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 1.05 0.00 0.00 1.30 0.00 0.00 39 R 9.02 5.24 0.00 2.11 2.19 0.00 3.10 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 40 F 9.24 4.76 0.00 1.83 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 41 D 7.65 5.10 0.00 2.58 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 0.00 0.00 0.00 0.00 42 S 8.84 3.82 0.00 4.07 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 0.00 43 D 8.85 4.19 0.00 2.67 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 44 V 7.76 3.67 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 0.72 0.00 0.00 0.83 0.00 0.00 45 G 9.01 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 0.00 0.00 0.00 46 E 7.00 4.99 0.00 2.45 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.74 4.39 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.62 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 65 K 8.24 4.04 0.00 1.84 1.82 0.00 1.74 0.00 0.00 1.83 0.00 0.00 3.16 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.61 7.81 66 D 8.17 4.36 0.00 2.71 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 67 L 8.16 3.86 0.00 1.60 1.90 0.69 0.48 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 68 L 7.85 3.96 0.00 1.92 1.78 1.08 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.54 3.96 0.00 1.94 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 2.54 2.44 0.00 70 Q 7.87 3.87 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 71 R 7.77 3.65 0.00 0.94 0.66 0.00 3.18 0.00 0.00 2.92 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.30 0.00 72 R 8.27 4.29 0.00 2.09 2.06 0.00 3.18 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.98 0.00 73 A 8.15 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 74 A 7.65 4.10 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 75 V 7.42 3.68 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 1.02 0.00 0.00 76 D 8.18 4.52 0.00 2.98 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 77 T 7.94 3.97 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 1.23 0.00 0.00 78 Y 8.57 4.72 0.00 2.91 3.07 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 0.00 0.00 0.00 79 C 8.10 4.07 0.00 3.23 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 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0.00 0.00 0.00 0.00 0.00 0.00 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 7.40 4.80 0.00 2.82 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 90 T 6.74 4.65 4.38 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 1.11 0.00 0.00 91 V 7.53 3.59 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 0.83 0.00 0.00 0.43 0.00 0.00 92 Q 8.12 4.25 0.00 2.35 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 93 R 7.45 4.04 0.00 1.82 2.12 0.00 2.86 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.54 0.00 94 R 8.55 5.04 0.00 1.73 1.87 0.00 3.58 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 1.58 1.76 0.00 95 V 9.30 4.52 2.42 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 1.18 0.00 0.00 1.04 0.00 0.00 96 E 9.32 4.91 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.75 0.00 0.00 130 R 8.99 4.62 0.00 1.75 1.45 0.00 3.43 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.54 0.00 131 W 8.36 5.33 0.00 3.21 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 0.00 132 F 9.65 5.14 0.00 3.20 2.94 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 0.00 133 R 9.62 4.30 0.00 1.96 1.86 0.00 3.24 0.00 0.00 3.31 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.07 0.00 134 N 9.86 4.42 0.00 2.83 2.85 0.00 0.00 7.04 6.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 G 8.58 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 Q 7.73 4.79 0.00 2.33 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.91 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 137 E 9.05 3.86 0.00 1.65 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 2.13 2.02 0.00 138 E 8.16 4.53 0.00 1.90 1.67 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 2.15 2.13 0.00 139 K 8.59 4.34 0.00 1.70 1.87 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.37 7.81 140 A 7.80 4.14 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 0.00 141 G 8.68 3.96 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 0.00 0.00 0.00 142 V 7.18 4.44 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 0.88 0.00 0.00 1.11 0.00 0.00 143 V 9.08 4.64 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 0.88 0.00 0.00 0.92 0.00 0.00 144 S 8.64 5.78 0.00 3.92 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 0.00 145 T 8.70 4.07 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 1.24 0.00 0.00 146 G 8.91 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 0.00 147 L 8.14 4.37 0.00 1.68 1.65 0.96 0.73 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 0.00 148 I 8.69 4.36 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.69 0.90 0.00 0.00 149 Q 8.53 3.97 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 7.08 0.00 0.00 0.00 0.00 0.00 1.96 1.62 0.00 150 N 8.41 4.28 0.00 2.87 2.77 0.00 0.00 7.23 7.06 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 0.00 151 G 8.15 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 0.00 0.00 0.00 152 D 7.43 4.97 0.00 2.77 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 W 8.70 3.39 0.00 3.35 3.22 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 0.00 154 T 7.36 5.12 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 1.38 0.00 0.00 155 F 8.77 5.21 0.00 1.62 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 Q 8.46 5.17 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 157 T 8.68 4.66 4.44 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 1.30 0.00 0.00 158 L 8.60 5.21 0.00 1.70 1.55 0.99 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 159 V 8.70 4.50 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 1.04 0.00 0.00 0.88 0.00 0.00 160 M 9.45 5.19 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.43 0.00 161 L 8.18 4.70 0.00 0.38 0.13 0.74 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 162 E 8.45 4.62 0.00 1.83 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 2.25 2.32 0.00 163 T 9.13 4.55 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 0.63 0.00 0.00 164 V 7.85 4.64 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 0.81 0.00 0.00 0.93 0.00 0.00 165 P 0.00 4.61 0.00 2.49 2.48 0.00 3.77 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 166 R 10.21 4.41 0.00 1.66 1.83 0.00 3.28 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.43 0.00 167 S 8.57 4.25 0.00 3.62 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 0.00 168 G 8.20 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 169 E 8.12 4.15 0.00 1.95 1.49 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 2.22 2.24 0.00 170 V 8.78 4.44 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 1.01 0.00 0.00 0.92 0.00 0.00 171 Y 9.05 5.34 0.00 3.44 3.11 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 0.00 172 T 9.59 5.33 4.43 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 0.00 0.00 0.00 1.25 0.00 0.00 173 C 9.13 4.83 0.00 1.81 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 Q 9.10 5.19 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.52 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 175 V 9.14 4.76 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 0.78 0.00 0.00 0.76 0.00 0.00 176 E 9.07 4.91 0.00 1.87 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 0.00 2.21 2.21 0.00 177 H 8.55 5.15 0.00 2.95 2.99 0.00 5.70 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 P 0.00 4.16 0.00 2.14 2.13 0.00 3.40 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.82 0.00 179 S 8.01 4.29 0.00 4.14 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 V 7.80 4.58 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 0.92 0.00 0.00 1.01 0.00 0.00 181 T 8.68 3.94 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 0.00 182 S 7.61 4.62 0.00 3.98 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 P 0.00 4.45 0.00 1.93 2.04 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 184 L 8.88 4.74 0.00 1.52 1.54 0.90 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 185 T 8.60 5.83 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 1.17 0.00 0.00 186 V 8.30 4.58 2.11 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 0.78 0.00 0.00 1.03 0.00 0.00 187 E 8.99 5.48 0.00 1.94 2.02 0.00 0.00 0.00 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 2.32 0.00 188 W 9.52 5.24 0.00 3.51 3.31 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 0.00 189 R 8.05 4.59 0.00 1.44 1.62 0.00 3.18 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 190 A 7.92 3.35 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 * Residues marked with a * may have inaccurate shift predictions.