NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 H 4.7897 8.4444 117.8483 55.7622 29.8110 172.1253 9 V 4.4326 8.1329 123.2180 59.6708 34.6582 173.1972 10 F 4.1375 9.2352 126.7170 59.1290 40.3313 174.1807 11 S 4.2462 7.7777 121.7694 55.3144 63.3921 171.6013 12 P 4.1492 0.0000 0.0000 63.0083 31.7495 178.5030 13 Q 3.8999 9.0323 120.8632 57.9974 28.3046 176.8575 14 H 4.8248 7.9585 112.7213 55.5450 28.6938 176.6888 15 C 2.8582 7.7582 121.9822 59.5157 43.1614 176.3162 16 G 3.3340 7.6389 105.1606 47.0081 0.0000 173.8043 17 C 4.2087 7.6389 118.4527 60.3830 28.5511 174.0753 18 D 4.9106 8.3619 120.9827 54.9240 41.5929 176.2743 19 R 4.5314 7.4279 115.7484 55.4891 34.0216 173.6471 20 L 4.8087 8.1794 118.9118 53.8365 43.7340 176.9291 21 T 4.2765 8.5061 118.5316 65.5896 69.1640 175.2379 22 S 4.6390 7.6071 115.3301 56.6906 63.9951 174.4932 23 I 2.9354 7.5946 123.7073 62.2474 37.9713 177.3206 24 D 4.3404 7.6912 119.0902 57.2634 41.0314 177.5420 25 D 4.5942 7.7184 117.7807 55.2973 40.9066 178.5368 26 V 3.6571 7.3760 120.2153 65.9331 31.5906 177.8727 27 R 3.6755 7.6088 117.9923 59.3439 29.9760 177.9950 28 Q 4.0398 8.0066 118.9468 59.1756 29.0132 177.7726 29 C 4.2206 8.1588 119.7518 62.5846 31.7254 175.5144 30 L 4.2026 8.0375 120.6058 58.1069 41.2138 179.5413 31 T 3.9906 8.1794 115.5882 67.0725 68.4657 176.6032 32 E 4.3330 8.6943 120.2781 59.3009 29.5077 178.8551 33 Y 4.5535 8.3830 121.3061 60.5283 38.7055 178.2875 34 I 3.5629 7.8050 119.2175 64.3053 37.4594 177.6055 35 Y 4.1554 8.3502 120.5164 60.4778 38.3044 177.7118 36 W 4.2000 9.0085 129.7416 60.5888 30.9845 177.6087 37 S 3.7816 8.3539 113.9906 60.0288 62.1706 176.6211 38 S 4.3086 7.8008 119.4346 61.3610 62.4939 174.2535 39 Y 4.2426 6.9687 118.2688 57.5441 42.9927 175.8422 40 A 3.5271 6.2094 123.1964 54.0332 18.6704 178.7828 41 Y 3.3408 6.3070 113.6704 59.0105 37.9201 177.1287 42 R 4.1089 6.1008 114.6024 56.3198 30.0332 176.3943 43 N 4.7905 7.6921 114.6145 53.2180 40.9758 174.5328 44 R 4.5381 7.9978 117.5696 54.5438 32.5690 174.6141 45 Q 4.7614 8.6484 123.9180 55.0597 30.4938 176.3002 46 C 4.4394 8.3493 115.4659 55.4444 41.7699 174.1685 47 A 3.9851 8.4158 127.3050 52.5171 18.9690 177.7444 48 G 4.4085 7.0371 105.6390 44.9809 0.0000 174.8130 49 Q 3.9995 9.2684 119.2978 58.0187 28.5755 179.0212 50 L 3.8503 7.7704 121.4334 58.5148 41.8808 178.4979 51 Y 3.5866 7.9771 115.7713 60.2783 37.5510 178.1384 52 S 4.0779 7.4584 114.0726 61.5576 62.9603 175.8972 53 T 3.8030 7.7010 118.2608 66.5138 68.1130 176.3027 54 L 2.4741 7.1371 120.5778 57.5840 41.6515 179.8143 55 L 4.1705 7.7335 119.9581 57.0237 41.5682 179.2457 56 S 4.4165 7.6738 112.6750 60.0356 63.0335 175.8366 57 F 5.2374 8.1497 123.4870 59.2789 38.5909 177.0126 58 R 4.0128 8.1034 118.8488 59.4850 29.9146 178.1206 59 D 4.3812 8.2372 118.9177 57.4364 40.6899 178.4298 60 D 4.3737 8.1121 118.7584 56.9136 40.8593 178.5437 61 A 4.0756 8.2968 121.5724 55.4256 18.4008 179.4860 62 E 4.0500 8.3565 117.1426 59.5595 29.2385 179.5024 63 L 3.9595 7.6791 119.3252 57.5282 42.1797 178.4292 64 V 3.7913 7.1147 116.9839 64.0069 31.9085 176.4379 65 F 4.5371 8.0691 114.2265 56.2462 39.6720 176.3288 66 I 3.1971 7.5241 122.2794 61.2482 36.1013 174.4514 67 D 4.7087 8.2600 132.2293 53.0355 42.2224 175.3128 68 I 3.7156 8.0386 121.7188 63.1539 37.7031 177.9644 69 R 3.8348 7.8520 122.8162 60.1952 29.9383 178.9200 70 E 4.0379 8.4281 117.8658 60.6707 29.4140 180.7504 71 L 4.1870 7.4209 118.6640 58.3306 42.2404 178.7736 72 V 4.1850 7.8733 117.6283 65.9855 31.5054 177.8835 73 K 4.2767 7.5234 117.2948 59.3543 32.0358 180.4539 74 N 4.7301 7.6738 115.6437 51.8865 39.8740 174.1702 *76 P 4.1399 0.0000 0.0000 62.5293 31.5168 176.6481 77 W 4.1742 7.9231 124.7543 59.4347 29.5243 177.1888 78 D 4.4115 7.9470 116.9135 54.6803 39.4495 176.2693 79 D 4.6538 8.0844 119.5436 51.4508 42.6381 175.6204 80 V 3.6175 8.1748 126.1869 65.8173 31.9070 177.3874 81 K 3.9054 8.1438 117.6673 59.7516 31.9305 178.6269 82 D 4.3139 8.1392 117.5857 57.2712 41.1773 177.7730 83 C 3.8125 8.0332 117.1519 62.7205 28.0927 175.9651 84 A 3.9888 8.0750 122.2212 55.1555 17.6926 179.5296 85 E 3.9524 7.7574 116.0065 59.5472 29.8228 179.3921 86 I 3.9041 7.7148 119.8091 64.4441 37.1386 178.4008 87 I 3.9282 7.9216 120.7615 64.6277 36.9988 178.2932 88 R 4.8514 8.0713 118.5141 57.5578 29.5636 178.6776 89 C 4.1397 7.9840 117.2694 62.9039 28.2367 175.1411 90 Y 4.3825 8.2523 116.5996 59.5468 38.9206 176.1114 91 I 4.4021 8.1558 124.2756 58.7829 37.1625 174.4124 92 P 4.6658 0.0000 0.0000 64.8466 31.9242 177.9819 93 D 4.5657 7.7383 117.1525 53.5053 41.4620 176.0283 94 E 3.9233 8.6177 122.6916 58.9123 29.9139 176.6046 95 Q 4.1084 7.9043 119.7846 55.4025 28.3239 174.8194 96 K 4.6610 8.1908 124.9359 55.2477 34.1235 177.3241 97 T 4.3729 8.7269 112.6163 60.7227 71.6928 175.8293 98 I 3.5251 8.1764 121.4473 64.3157 37.7665 178.1468 99 R 3.8107 7.7887 119.1809 59.2772 30.0239 178.1450 100 E 3.8455 7.8049 118.4912 59.3524 29.5241 179.4290 101 I 3.6898 7.9065 120.1186 64.3387 37.1429 178.6935 102 S 3.3902 7.6914 115.3614 61.0486 62.5247 176.3094 103 A 4.1121 8.0203 123.7131 55.4636 18.0649 179.7494 104 I 3.8619 7.7969 118.0311 64.7438 37.2128 178.8270 105 I 3.9936 7.8622 120.4869 64.2302 37.0731 178.6790 106 G 3.8668 8.8158 107.0335 47.8745 0.0000 175.4417 107 L 4.0588 8.6869 123.5219 58.1382 42.1382 178.9108 108 C 4.2135 8.3339 116.4972 62.7219 28.1171 175.9727 109 A 3.8476 8.3134 122.5694 55.0498 17.8580 179.1407 110 Y 3.7667 8.0651 117.6373 60.7460 38.9439 177.8254 111 A 3.8450 8.3478 121.7643 55.1572 18.1817 179.5092 112 A 3.8414 7.8383 119.1746 55.3886 18.1475 180.1069 113 T 4.1505 7.1580 114.7572 66.1180 68.5705 176.0653 114 Y 3.6898 7.5559 120.7266 60.2542 38.8493 177.7942 115 W 4.6014 7.9070 116.9496 56.6606 29.7421 177.0514 116 G 4.0474 6.5296 107.4631 44.7356 0.0000 173.6744 117 G 3.7063 7.9895 109.3374 44.0762 0.0000 173.1761 118 E 4.0413 8.4884 118.9771 57.9402 29.7779 177.0941 119 D 5.0024 7.8416 113.8464 52.7828 40.8636 174.6901 120 H 3.9860 7.1274 114.7564 53.0537 31.5267 171.0215 121 P 4.7721 0.0000 0.0000 62.3544 32.6479 175.3236 122 T 4.7199 8.3551 109.0874 59.3108 72.8721 175.0015 123 S 4.1611 8.5735 117.0174 62.1086 62.7777 176.9445 124 N 4.2348 7.9745 118.6821 56.1788 38.0818 177.5323 125 S 4.0876 7.8829 114.7245 61.2770 63.3736 176.2995 126 L 4.0016 8.1016 122.6221 57.7107 41.3414 179.1163 127 N 4.6894 8.3503 116.0921 56.3520 38.1877 177.1988 128 A 4.1994 7.5614 121.2026 55.0623 18.4360 179.0452 129 L 3.9784 7.4527 118.0004 58.3093 42.4175 178.9118 130 F 4.7917 7.5410 116.8772 59.7665 38.7902 178.1059 131 V 3.9397 7.9351 115.3845 63.6354 31.1866 176.5503 *133 L 4.5434 7.8295 118.5172 54.5151 43.3202 178.5617 134 E 4.0011 8.3165 114.1377 57.0537 29.0012 176.0003 *136 L 4.0887 7.7312 116.2198 54.1998 42.6879 176.2627 137 N 5.0909 8.3795 120.8992 51.1352 39.7679 175.3112 138 Y 4.5613 8.9927 115.8976 60.4220 38.0188 178.2697 139 V 3.2980 6.9790 119.5448 65.6308 31.5924 177.6105 140 D 4.3406 8.4765 119.3013 57.3673 40.4642 178.2618 141 Y 4.3211 7.6392 117.0769 60.9349 37.5787 178.1346 142 N 4.4812 7.8625 117.2516 56.0568 38.7917 177.3706 143 I 3.9281 7.4088 120.3878 64.4758 37.4338 178.3257 144 I 3.7070 7.8582 118.9152 63.4524 37.5203 177.4276 145 F 4.4176 7.9127 121.0810 61.4617 39.2288 176.6996 146 R 3.9193 8.0962 116.3332 57.5244 30.2200 176.7479 147 R 4.3677 7.5487 118.3587 56.0289 30.6981 175.9543 *149 N 4.2875 8.1663 121.1949 53.8089 39.0357 173.4203 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 8 H 8.44 4.79 0.00 3.17 3.41 0.00 5.83 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.13 4.43 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 0.75 0.00 0.00 1.02 0.00 0.00 10 F 9.24 4.14 0.00 3.25 3.24 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 11 S 7.78 4.25 0.00 3.69 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 12 P 0.00 4.15 0.00 1.96 2.08 0.00 3.28 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 2.25 0.00 13 Q 9.03 3.90 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.11 0.00 0.00 0.00 0.00 0.00 2.31 2.22 0.00 14 H 7.96 4.82 0.00 3.34 3.37 0.00 5.82 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 C 7.76 2.86 0.00 2.70 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 16 G 7.64 3.33 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 0.00 17 C 7.64 4.21 0.00 3.26 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 18 D 8.36 4.91 0.00 2.62 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 19 R 7.43 4.53 0.00 1.75 1.89 0.00 3.49 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 20 L 8.18 4.81 0.00 1.86 1.80 1.05 0.77 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 21 T 8.51 4.28 4.30 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 1.26 0.00 0.00 22 S 7.61 4.64 0.00 3.84 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 23 I 7.59 2.94 1.01 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 1.19 0.59 0.72 0.00 0.00 24 D 7.69 4.34 0.00 2.68 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 25 D 7.72 4.59 0.00 2.86 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 26 V 7.38 3.66 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 1.34 0.00 0.00 1.03 0.00 0.00 27 R 7.61 3.68 0.00 1.13 1.65 0.00 3.14 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 1.63 1.53 0.00 28 Q 8.01 4.04 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.69 0.00 0.00 0.00 0.00 0.00 2.62 2.50 0.00 29 C 8.16 4.22 0.00 3.00 3.12 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 0.00 0.00 0.00 0.00 30 L 8.04 4.20 0.00 1.98 1.94 1.25 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.18 3.99 4.57 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 0.00 0.00 0.00 1.28 0.00 0.00 32 E 8.69 4.33 0.00 2.40 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 2.81 2.61 0.00 33 Y 8.38 4.55 0.00 2.88 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 34 I 7.81 3.56 2.02 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 1.75 1.01 0.85 0.00 0.00 35 Y 8.35 4.16 0.00 3.03 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 36 W 9.01 4.20 0.00 3.85 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 0.00 37 S 8.35 3.78 0.00 3.76 3.51 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 38 S 7.80 4.31 0.00 3.82 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 39 Y 6.97 4.24 0.00 3.07 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 40 A 6.21 3.53 1.02 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 0.00 0.00 41 Y 6.31 3.34 0.00 1.94 1.43 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 0.00 42 R 6.10 4.11 0.00 1.63 1.61 0.00 2.21 0.00 0.00 2.60 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 1.15 0.00 43 N 7.69 4.79 0.00 2.63 2.84 0.00 0.00 6.66 7.66 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 44 R 8.00 4.54 0.00 1.78 2.07 0.00 3.36 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 45 Q 8.65 4.76 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.74 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 46 C 8.35 4.44 0.00 2.27 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 0.00 0.00 0.00 47 A 8.42 3.99 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 48 G 7.04 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 0.00 0.00 0.00 0.00 49 Q 9.27 4.00 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.56 0.00 50 L 7.77 3.85 0.00 1.78 1.85 0.86 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.98 3.59 0.00 2.85 2.85 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 52 S 7.46 4.08 0.00 3.79 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 53 T 7.70 3.80 4.16 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 1.00 0.00 0.00 54 L 7.14 2.47 0.00 0.76 0.24 -0.36 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 55 L 7.73 4.17 0.00 1.69 1.79 1.11 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.67 4.42 0.00 4.10 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 57 F 8.15 5.24 0.00 3.22 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 58 R 8.10 4.01 0.00 2.04 2.11 0.00 3.23 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 59 D 8.24 4.38 0.00 2.96 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 60 D 8.11 4.37 0.00 2.78 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.30 4.08 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.36 4.05 0.00 2.13 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 2.47 2.45 0.00 63 L 7.68 3.96 0.00 1.87 1.78 0.90 0.70 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 64 V 7.11 3.79 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 0.11 0.00 0.00 0.75 0.00 0.00 65 F 8.07 4.54 0.00 2.94 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 66 I 7.52 3.20 1.96 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.47 0.94 0.00 0.00 67 D 8.26 4.71 0.00 2.69 2.56 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 0.00 0.00 0.00 0.00 68 I 8.04 3.72 1.63 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 -0.12 0.93 0.00 0.00 69 R 7.85 3.83 0.00 1.90 2.09 0.00 3.44 0.00 0.00 3.50 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 70 E 8.43 4.04 0.00 2.03 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 2.24 2.18 0.00 71 L 7.42 4.19 0.00 1.69 1.77 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 72 V 7.87 4.18 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 0.65 0.00 0.00 1.18 0.00 0.00 73 K 7.52 4.28 0.00 1.86 1.91 0.00 1.82 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.12 1.39 7.81 74 N 7.67 4.73 0.00 2.82 2.87 0.00 0.00 7.07 7.91 0.00 0.00 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 P 0.00 4.14 0.00 2.18 2.17 0.00 3.05 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 1.97 2.01 0.00 77 W 7.92 4.17 0.00 2.79 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 78 D 7.95 4.41 0.00 2.76 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 79 D 8.08 4.65 0.00 2.70 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 80 V 8.17 3.62 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 1.12 0.00 0.00 1.11 0.00 0.00 81 K 8.14 3.91 0.00 1.94 1.85 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.45 7.81 82 D 8.14 4.31 0.00 2.95 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 83 C 8.03 3.81 0.00 3.00 2.56 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 0.00 0.00 0.00 0.00 84 A 8.08 3.99 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 85 E 7.76 3.95 0.00 2.17 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 2.47 2.49 0.00 86 I 7.71 3.90 1.92 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 1.52 0.87 0.94 0.00 0.00 87 I 7.92 3.93 2.06 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 1.37 0.77 1.09 0.00 0.00 88 R 8.07 4.85 0.00 2.05 2.00 0.00 3.15 0.00 0.00 3.28 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 89 C 7.98 4.14 0.00 3.23 2.77 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 90 Y 8.25 4.38 0.00 3.18 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 91 I 8.16 4.40 1.95 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 1.31 0.94 0.91 0.00 0.00 92 P 0.00 4.67 0.00 2.15 2.17 0.00 3.11 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 93 D 7.74 4.57 0.00 2.68 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.62 3.92 0.00 1.91 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 2.30 2.35 0.00 95 Q 7.90 4.11 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.62 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 96 K 8.19 4.66 0.00 1.72 1.66 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.56 7.81 97 T 8.73 4.37 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 1.17 0.00 0.00 98 I 8.18 3.53 1.83 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 1.44 1.25 0.86 0.00 0.00 99 R 7.79 3.81 0.00 1.85 1.82 0.00 3.17 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 100 E 7.80 3.85 0.00 2.08 1.92 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 2.24 2.27 0.00 101 I 7.91 3.69 1.74 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 1.42 1.13 0.79 0.00 0.00 102 S 7.69 3.39 0.00 3.65 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 0.00 103 A 8.02 4.11 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 0.00 104 I 7.80 3.86 2.07 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 1.71 0.82 1.00 0.00 0.00 105 I 7.86 3.99 2.21 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.98 1.30 0.00 0.00 106 G 8.82 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 0.00 0.00 0.00 107 L 8.69 4.06 0.00 1.70 1.91 0.72 0.39 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 0.00 108 C 8.33 4.21 0.00 3.21 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 0.00 109 A 8.31 3.85 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 0.00 110 Y 8.07 3.77 0.00 3.15 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 0.00 111 A 8.35 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 7.84 3.84 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 0.00 113 T 7.16 4.15 3.86 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 0.00 0.00 0.63 0.00 0.00 114 Y 7.56 3.69 0.00 2.38 2.62 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 0.00 115 W 7.91 4.60 0.00 3.25 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 0.00 116 G 6.53 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 0.00 0.00 0.00 117 G 7.99 3.71 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 0.00 0.00 0.00 118 E 8.49 4.04 0.00 1.86 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 119 D 7.84 5.00 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 0.00 120 H 7.13 3.99 0.00 3.04 3.13 0.00 5.45 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.77 0.00 2.23 2.10 0.00 3.33 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.08 0.00 122 T 8.36 4.72 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 1.31 0.00 0.00 123 S 8.57 4.16 0.00 3.87 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 0.00 124 N 7.97 4.23 0.00 2.38 1.88 0.00 0.00 6.88 7.14 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 0.00 125 S 7.88 4.09 0.00 4.14 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 0.00 126 L 8.10 4.00 0.00 1.96 1.79 1.03 0.66 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 0.00 127 N 8.35 4.69 0.00 3.05 3.16 0.00 0.00 6.95 6.94 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 0.00 128 A 7.56 4.20 1.05 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 0.00 0.00 129 L 7.45 3.98 0.00 1.44 1.37 0.94 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 130 F 7.54 4.79 0.00 3.34 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 0.00 131 V 7.94 3.94 2.55 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 0.90 0.00 0.00 1.18 0.00 0.00 *133 L 7.83 4.54 0.00 2.06 1.93 1.17 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 134 E 8.32 4.00 0.00 2.11 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 2.37 2.38 0.00 *136 L 7.73 4.09 0.00 1.48 0.98 0.84 0.94 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 0.00 137 N 8.38 5.09 0.00 3.18 3.05 0.00 0.00 6.39 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 0.00 138 Y 8.99 4.56 0.00 3.32 3.30 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 0.00 139 V 6.98 3.30 1.90 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 0.91 0.00 0.00 0.24 0.00 0.00 140 D 8.48 4.34 0.00 2.53 2.45 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 0.00 0.00 0.00 0.00 141 Y 7.64 4.32 0.00 3.19 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 0.00 142 N 7.86 4.48 0.00 2.80 2.93 0.00 0.00 7.05 7.31 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 0.00 143 I 7.41 3.93 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.80 0.88 0.00 0.00 144 I 7.86 3.71 1.85 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 1.43 1.35 1.11 0.00 0.00 145 F 7.91 4.42 0.00 3.20 3.42 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 0.00 146 R 8.10 3.92 0.00 1.84 1.93 0.00 3.38 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.83 0.00 147 R 7.55 4.37 0.00 2.02 2.11 0.00 3.13 0.00 0.00 3.04 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 *149 N 8.17 4.29 0.00 2.59 2.68 0.00 0.00 7.09 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 * Residues marked with a * may have inaccurate shift predictions.