NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4101 8.2893 120.3486 55.3863 33.1324 174.6934 2 N 4.6904 8.5831 123.9574 51.3717 39.0166 172.9747 3 I 4.6088 8.7704 120.9596 59.6223 42.0253 176.2485 4 I 4.3757 8.3326 123.8586 59.6177 38.5147 175.1585 5 K 4.4558 8.6183 124.7840 54.3898 34.1407 176.1348 6 A 4.6024 8.3941 126.2523 50.6894 21.1019 174.9434 7 N 5.0579 8.2264 117.0245 51.9451 41.4483 174.9231 8 V 3.8635 8.1797 114.2798 62.6578 32.3024 176.8071 9 A 4.2711 8.2141 123.6416 52.0903 18.6951 178.0260 10 A 4.6306 8.3143 122.6451 51.2853 21.6277 174.0803 11 P 4.8213 0.0000 0.0000 64.8771 32.2130 178.9789 12 D 4.5127 8.0833 115.1790 54.4105 40.4267 175.7681 13 A 4.6255 7.6954 124.7449 51.7842 20.3430 178.2739 14 R 4.8230 9.4867 120.3656 55.1201 32.8583 175.9304 15 V 4.9462 8.9676 124.4396 59.9873 34.9492 173.9810 16 A 4.9884 8.5008 128.2319 50.0350 21.7087 175.1038 17 I 4.8395 8.6705 123.3368 59.5201 39.8871 174.6635 18 T 4.7603 8.5923 117.5472 59.9502 70.8734 173.3305 19 I 5.1352 8.3477 126.4427 58.2334 40.5737 174.4574 20 A 5.0390 8.4225 127.8679 51.1871 19.0832 178.0069 21 R 4.4239 9.3780 120.0268 58.5837 30.1711 176.9931 22 F 4.6290 8.1175 121.6252 59.7279 39.7339 174.3255 23 N 4.6593 9.8848 123.9429 54.5326 35.5922 176.1080 24 Q 4.1576 8.3406 120.5225 59.4864 28.0656 177.9235 25 F 3.8274 8.4821 121.4276 61.1525 39.4159 176.4467 26 I 4.2110 8.2393 118.5640 63.6906 37.6685 177.7866 27 N 4.3819 8.2696 116.6069 56.2380 38.2466 177.0049 28 D 4.4562 8.7925 120.9965 57.6200 40.9921 178.7726 29 S 4.0774 7.9665 113.0055 61.0320 62.4181 175.5378 30 L 4.0514 7.7859 123.2504 58.6851 41.7046 178.1352 31 L 3.8642 8.5394 120.6377 57.5247 41.9034 178.8090 32 D 4.4875 8.4890 118.3959 57.2159 40.9427 179.8611 33 G 3.5621 8.0934 105.9444 47.7246 0.0000 175.4334 34 A 3.9317 7.7896 123.3691 54.6710 18.5143 179.3776 35 V 3.4602 7.8623 116.7319 66.3062 31.5770 177.2709 36 D 4.3123 8.1495 117.1930 57.7931 40.9419 177.7867 37 A 3.9018 8.1677 120.6693 55.8529 18.4122 179.0286 38 L 3.8601 8.4726 116.4353 59.3164 41.8584 179.8153 39 T 4.1909 8.2923 110.9179 64.0774 68.5609 176.2275 40 R 3.8601 8.2096 123.5721 58.1575 30.3763 178.3614 41 I 4.2551 7.7645 118.0057 63.3746 38.1856 177.6752 42 G 3.8648 7.8131 103.6453 44.1783 0.0000 174.0604 43 Q 3.8404 8.0129 118.6783 56.4142 26.6686 173.2682 44 V 3.9474 7.4715 118.7174 62.3585 32.1368 175.3213 45 K 4.3460 8.5645 128.8602 56.2732 32.6061 176.6607 46 D 4.6999 8.8007 124.0949 54.0612 39.1063 176.1850 47 D 4.8002 7.9732 117.2767 53.7404 40.1870 176.3199 48 N 4.7078 8.5154 117.7716 53.7020 39.3272 174.1185 49 I 4.8690 7.5870 120.2532 60.2888 38.4326 175.2057 50 T 4.7063 8.7620 117.2372 59.7048 71.9173 172.9700 51 V 4.6175 8.4220 123.7978 61.0532 34.0601 174.5215 52 V 4.3136 8.9098 128.6125 60.8034 33.7246 174.5234 53 W 4.9576 9.0135 129.0891 56.5636 29.4944 176.5065 54 V 4.3753 8.6607 119.1388 59.1671 33.6454 174.9948 55 P 4.3279 0.0000 0.0000 65.1696 31.4824 176.9736 56 G 4.4353 7.9775 108.6695 42.7884 0.0000 174.1324 57 A 4.0526 8.4864 120.6842 54.8629 18.0693 179.3006 58 Y 4.2112 8.1371 117.0055 60.5055 39.2731 177.2264 59 E 4.1334 8.1609 119.1356 57.8718 29.6601 178.3782 60 L 3.9034 7.5165 119.4658 58.2206 41.6211 177.0414 61 P 4.1785 0.0000 0.0000 64.7375 31.1542 177.9759 62 L 3.8539 7.6972 117.9636 58.4678 42.3539 179.2965 63 A 3.9891 7.8326 120.2127 55.6220 18.2960 179.8260 64 T 3.8232 8.1216 108.3549 64.5886 68.7375 176.0182 65 E 3.8414 8.9656 122.6712 59.2290 29.5793 178.3441 66 A 4.0092 8.0309 120.4053 55.6371 18.2121 179.5911 67 L 4.0924 7.6131 114.8890 57.9188 41.9646 179.4980 68 A 4.2306 8.2538 120.8713 55.1444 18.2443 179.8518 69 K 3.9521 8.2418 116.2425 59.5832 32.1409 179.0871 70 S 4.1945 8.1498 112.9363 59.3813 61.4542 175.8811 71 G 4.0022 8.3659 108.0680 45.7787 0.0000 175.5446 72 K 3.8981 7.6655 118.2635 58.2455 32.1740 176.6730 73 Y 5.0513 6.9144 115.8493 56.2244 40.4590 175.4384 74 D 4.7259 9.2118 122.2024 55.7007 41.8141 176.4448 75 A 4.5319 7.2921 117.7743 51.2865 22.4207 175.0891 76 V 4.7583 8.1410 120.1150 61.0287 34.6587 174.4634 77 V 4.4011 8.8402 128.0650 61.4168 33.4081 174.1319 78 A 4.9329 8.6322 130.2013 49.7138 20.8286 175.2029 79 L 5.1546 7.9723 123.1884 52.7352 44.2984 176.3739 80 G 4.2108 7.7679 108.3317 46.1681 0.0000 171.9144 81 T 5.0624 8.1609 116.2784 61.5143 71.9960 174.5065 82 V 4.2096 9.0081 125.1147 61.3528 34.1060 173.8198 83 I 4.7145 8.1765 128.6438 59.5567 38.6730 175.9692 84 R 3.7046 8.4217 127.9097 56.5584 30.3213 176.2720 85 G 4.4406 8.3404 116.0391 44.1929 0.0000 172.8187 86 G 3.6501 8.7754 107.5372 47.4345 0.0000 173.4202 87 T 4.5402 7.5771 108.3329 59.6383 71.5660 173.5412 88 A 4.4419 8.3838 121.3754 52.8466 18.6777 178.8124 89 H 4.2974 8.3650 120.3022 60.3266 29.8734 176.9134 90 F 4.0167 8.4832 122.0236 61.5525 39.0087 176.6236 91 E 3.6287 7.9773 118.2805 59.5792 29.3748 178.4146 92 Y 4.3181 7.4134 115.8633 60.7271 38.1610 177.5818 93 V 3.6581 7.6626 119.2713 65.8796 31.5915 177.8484 94 A 4.0823 7.8146 120.1138 55.1502 18.1025 179.6422 95 G 3.6244 8.1555 104.6988 47.7892 0.0000 176.0196 96 G 3.8799 8.6555 108.1781 45.7870 0.0000 174.7435 97 A 4.2806 7.7072 122.4865 54.2549 19.7232 179.1430 98 S 4.1308 8.3133 111.9105 61.8253 62.3911 176.2740 99 N 4.4127 8.4572 119.3564 55.9961 38.3160 177.4063 100 G 3.7527 7.7115 106.7002 48.0825 0.0000 175.5459 101 L 3.9965 7.9768 121.7098 57.1774 41.7739 179.4939 102 A 3.9562 7.9887 120.6570 55.1405 18.3113 179.5328 103 S 3.9546 8.2589 111.6974 61.5963 62.4990 176.1915 104 V 3.5579 7.7670 120.6627 66.2565 31.0848 177.8047 105 A 4.2823 7.8840 121.3571 54.8107 18.0252 179.4357 106 Q 3.8939 7.7104 116.6840 59.2026 29.1482 177.8160 107 D 4.5240 8.0385 119.4187 57.0491 41.2323 178.5175 108 S 4.3437 8.2206 112.9387 58.7907 63.4453 175.6310 109 G 3.8929 8.1214 109.4704 45.6281 0.0000 173.6828 110 V 3.9802 7.4972 121.0609 61.5757 33.0930 173.5933 111 P 4.4556 0.0000 0.0000 62.6586 32.4772 175.1644 112 V 4.9199 8.3866 123.5997 61.0015 34.0554 174.2631 113 A 4.4112 8.8216 130.2694 51.0869 20.2764 176.2384 114 F 4.7198 9.0401 126.6423 56.2485 38.5569 175.9379 115 G 3.9949 8.1543 118.6467 45.0313 0.0000 170.9815 116 V 4.6292 6.1565 117.7142 60.5388 33.7964 176.0157 117 L 4.2550 8.7346 129.4531 55.1145 42.7614 176.6299 118 T 5.1023 8.7396 112.7736 58.7352 68.8783 172.6165 119 T 4.5930 8.1616 120.9338 61.0290 72.0678 175.0638 120 E 4.1340 9.9982 121.2291 57.3168 30.4706 177.2218 121 S 4.7231 7.5981 111.9464 55.5807 67.6594 174.8111 122 I 3.6837 8.2131 122.9960 64.2576 36.5880 177.9624 123 E 3.9133 8.2039 119.0405 59.7710 29.6147 178.6821 124 Q 4.2848 8.0964 117.4197 58.7954 28.8523 178.4773 125 A 4.0116 7.7836 121.8861 55.4601 18.3136 179.7086 126 I 3.7525 7.8607 118.1387 64.6987 37.1136 178.5528 127 E 4.5373 8.0373 120.2757 58.1371 29.3145 178.4412 128 R 4.5231 7.8988 115.5796 55.7552 30.4628 176.7868 129 A 4.6777 7.1833 121.8435 52.6776 19.4421 177.0575 130 G 4.4537 7.9543 108.1248 48.1054 0.0000 175.3842 131 T 4.5984 7.5476 115.3233 59.9942 68.8640 175.7803 132 K 3.7862 9.1950 117.0490 59.2829 31.8087 177.8045 133 A 4.5889 7.7688 119.4820 51.9743 20.0018 178.7354 134 G 3.7536 8.1641 111.0569 47.1553 0.0000 173.6573 135 N 5.2871 8.2363 117.6698 50.9706 40.9443 175.5882 136 K 3.9756 8.8737 128.9584 59.3323 32.0604 178.8285 137 G 4.0893 8.2782 107.6519 47.3050 0.0000 175.4631 138 A 4.0278 7.8756 123.0124 54.3416 18.5102 179.2493 139 E 3.8552 8.5277 117.9641 59.3573 29.7291 178.9274 140 A 4.0629 8.6307 122.4355 54.4426 18.4196 179.3505 141 A 3.9091 8.2097 119.5355 55.3343 18.4128 179.9559 142 L 3.9276 7.9528 117.6214 58.1995 41.5191 179.8883 143 T 3.9899 8.0651 109.3305 64.5309 68.4824 176.1893 144 A 4.0089 7.9315 123.9433 55.1223 18.3843 179.0371 145 L 3.8695 7.9193 116.9205 58.2100 41.7484 179.2539 146 E 4.0815 8.6319 119.0387 60.0475 29.4555 179.0657 147 M 4.0432 8.0594 118.2671 58.3507 31.9387 178.4816 148 I 3.6929 7.7164 119.9310 64.8212 37.2991 178.2091 149 N 4.3271 7.9724 116.6017 56.2074 38.1496 177.5538 150 V 3.5770 7.8836 119.0484 66.0878 31.7747 177.9278 151 L 4.0804 8.4013 118.9023 57.7864 41.3958 179.1325 152 K 3.8404 8.0418 118.3321 59.5817 32.0553 177.1042 153 A 4.4565 8.0356 119.9858 51.7915 19.2731 177.2567 154 I 3.8662 7.8051 120.9027 63.2211 37.7696 173.9243 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 1 M 8.29 4.41 0.00 1.99 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 N 8.58 4.69 0.00 2.95 2.79 0.00 0.00 6.05 6.93 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 3 I 8.77 4.61 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 0.67 0.91 0.00 0.00 4 I 8.33 4.38 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 0.61 0.91 0.00 0.00 5 K 8.62 4.46 0.00 1.70 1.70 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.39 7.81 6 A 8.39 4.60 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 7 N 8.23 5.06 0.00 2.66 2.68 0.00 0.00 6.98 7.71 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 8 V 8.18 3.86 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 0.75 0.00 0.00 0.93 0.00 0.00 9 A 8.21 4.27 1.35 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 0.00 0.00 10 A 8.31 4.63 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 11 P 0.00 4.82 0.00 2.23 2.37 0.00 3.86 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 12 D 8.08 4.51 0.00 2.69 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 13 A 7.70 4.63 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 14 R 9.49 4.82 0.00 1.41 1.78 0.00 3.21 0.00 0.00 3.09 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 15 V 8.97 4.95 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 0.85 0.00 0.00 0.95 0.00 0.00 16 A 8.50 4.99 0.28 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 17 I 8.67 4.84 1.68 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 1.17 0.84 0.73 0.00 0.00 18 T 8.59 4.76 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 1.09 0.00 0.00 19 I 8.35 5.14 0.76 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 -0.00 0.43 0.00 0.00 20 A 8.42 5.04 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 21 R 9.38 4.42 0.00 2.09 2.52 0.00 2.86 0.00 0.00 3.11 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.64 0.00 22 F 8.12 4.63 0.00 3.18 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 23 N 9.88 4.66 0.00 2.97 2.99 0.00 0.00 6.88 8.08 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 24 Q 8.34 4.16 0.00 2.52 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 25 F 8.48 3.83 0.00 3.13 3.20 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 26 I 8.24 4.21 2.12 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 1.67 0.92 0.95 0.00 0.00 27 N 8.27 4.38 0.00 2.87 2.92 0.00 0.00 7.09 8.08 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 28 D 8.79 4.46 0.00 2.66 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 29 S 7.97 4.08 0.00 3.81 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 30 L 7.79 4.05 0.00 1.93 1.63 0.95 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.54 3.86 0.00 1.78 1.75 0.77 1.04 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 32 D 8.49 4.49 0.00 2.86 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 33 G 8.09 3.56 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 0.00 34 A 7.79 3.93 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 35 V 7.86 3.46 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 0.97 0.00 0.00 0.94 0.00 0.00 36 D 8.15 4.31 0.00 2.84 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.17 3.90 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.47 3.86 0.00 1.85 1.72 0.89 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.29 4.19 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 1.24 0.00 0.00 40 R 8.21 3.86 0.00 1.84 2.23 0.00 3.24 0.00 0.00 3.45 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 41 I 7.76 4.26 2.07 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 1.45 0.97 0.91 0.00 0.00 42 G 7.81 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 0.00 0.00 0.00 0.00 43 Q 8.01 3.84 0.00 2.37 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 44 V 7.47 3.95 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 0.93 0.00 0.00 0.99 0.00 0.00 45 K 8.56 4.35 0.00 1.80 1.67 0.00 1.92 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.37 7.81 46 D 8.80 4.70 0.00 2.83 2.75 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 47 D 7.97 4.80 0.00 2.78 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 N 8.52 4.71 0.00 2.89 2.99 0.00 0.00 6.91 7.02 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 49 I 7.59 4.87 1.88 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 1.40 0.52 0.88 0.00 0.00 50 T 8.76 4.71 4.31 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 1.48 0.00 0.00 51 V 8.42 4.62 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 0.50 0.00 0.00 0.84 0.00 0.00 52 V 8.91 4.31 1.98 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 0.94 0.00 0.00 0.86 0.00 0.00 53 W 9.01 4.96 0.00 3.20 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 8.66 4.38 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 1.11 0.00 0.00 55 P 0.00 4.33 0.00 2.19 2.31 0.00 3.75 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.04 0.00 56 G 7.98 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 0.00 0.00 0.00 0.00 57 A 8.49 4.05 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 58 Y 8.14 4.21 0.00 2.92 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 59 E 8.16 4.13 0.00 2.00 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 2.62 2.57 0.00 60 L 7.52 3.90 0.00 1.77 1.71 0.88 0.73 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 61 P 0.00 4.18 0.00 2.02 1.85 0.00 3.66 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 2.07 2.10 0.00 62 L 7.70 3.85 0.00 1.63 1.67 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.83 3.99 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 64 T 8.12 3.82 4.19 0.00 0.00 0.00 0.00 0.00 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 65 E 8.97 3.84 0.00 2.00 2.19 0.00 0.00 0.00 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 2.34 0.00 66 A 8.03 4.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.61 4.09 0.00 1.80 1.67 0.66 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.25 4.23 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 69 K 8.24 3.95 0.00 1.73 1.90 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.63 1.60 7.81 70 S 8.15 4.19 0.00 3.91 4.21 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.37 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 72 K 7.67 3.90 0.00 0.90 1.10 0.00 1.53 0.00 0.00 1.42 0.00 0.00 2.82 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.39 7.81 73 Y 6.91 5.05 0.00 3.13 2.91 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 0.00 0.00 0.00 74 D 9.21 4.73 0.00 2.55 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 75 A 7.29 4.53 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 76 V 8.14 4.76 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 0.96 0.00 0.00 0.85 0.00 0.00 77 V 8.84 4.40 1.98 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 0.87 0.00 0.00 0.88 0.00 0.00 78 A 8.63 4.93 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.97 5.15 0.00 1.38 1.40 0.85 0.61 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 80 G 7.77 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.16 5.06 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 1.19 0.00 0.00 82 V 9.01 4.21 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 0.85 0.00 0.00 0.86 0.00 0.00 83 I 8.18 4.71 1.85 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 1.24 0.70 0.88 0.00 0.00 84 R 8.42 3.70 0.00 0.67 1.38 0.00 3.04 0.00 0.00 2.96 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.16 0.00 85 G 8.34 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 0.00 0.00 0.00 0.00 86 G 8.78 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.58 4.54 4.31 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 1.24 0.00 0.00 88 A 8.38 4.44 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 89 H 8.36 4.30 0.00 3.28 3.41 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.48 4.02 0.00 3.12 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 91 E 7.98 3.63 0.00 1.97 1.12 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 2.01 2.19 0.00 92 Y 7.41 4.32 0.00 2.98 2.88 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 93 V 7.66 3.66 1.93 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 1.04 0.00 0.00 0.77 0.00 0.00 94 A 7.81 4.08 0.95 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 0.00 0.00 95 G 8.16 3.62 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 96 G 8.66 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 97 A 7.71 4.28 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 98 S 8.31 4.13 0.00 3.74 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 99 N 8.46 4.41 0.00 2.88 2.83 0.00 0.00 6.96 7.70 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 0.00 100 G 7.71 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 0.00 0.00 0.00 101 L 7.98 4.00 0.00 1.89 1.81 1.06 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.99 3.96 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 0.00 103 S 8.26 3.95 0.00 3.95 4.02 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 0.00 104 V 7.77 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 0.95 0.00 0.00 0.95 0.00 0.00 105 A 7.88 4.28 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 0.00 106 Q 7.71 3.89 0.00 2.09 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 107 D 8.04 4.52 0.00 2.70 2.70 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 0.00 108 S 8.22 4.34 0.00 4.04 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 G 8.12 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 0.00 110 V 7.50 3.98 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 1.00 0.00 0.00 1.02 0.00 0.00 111 P 0.00 4.46 0.00 2.12 1.96 0.00 3.78 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 112 V 8.39 4.92 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 0.81 0.00 0.00 0.93 0.00 0.00 113 A 8.82 4.41 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 0.00 114 F 9.04 4.72 0.00 2.99 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 0.00 115 G 8.15 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 V 6.16 4.63 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 0.68 0.00 0.00 -0.09 0.00 0.00 117 L 8.73 4.26 0.00 1.61 1.58 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 118 T 8.74 5.10 4.45 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 1.23 0.00 0.00 119 T 8.16 4.59 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 1.24 0.00 0.00 120 E 10.00 4.13 0.00 1.92 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 2.30 2.30 0.00 121 S 7.60 4.72 0.00 3.95 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 0.00 122 I 8.21 3.68 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.51 0.87 0.00 0.00 123 E 8.20 3.91 0.00 1.93 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 2.30 2.49 0.00 124 Q 8.10 4.28 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 125 A 7.78 4.01 1.35 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 0.00 0.00 126 I 7.86 3.75 2.01 0.00 0.00 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 1.89 0.91 0.99 0.00 0.00 127 E 8.04 4.54 0.00 2.25 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 2.34 2.39 0.00 128 R 7.90 4.52 0.00 1.89 1.94 0.00 3.12 0.00 0.00 3.19 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 129 A 7.18 4.68 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 0.00 130 G 7.95 4.45 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 0.00 0.00 0.00 131 T 7.55 4.60 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 132 K 9.20 3.79 0.00 1.77 1.96 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.49 7.81 133 A 7.77 4.59 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 0.00 134 G 8.16 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 0.00 0.00 0.00 135 N 8.24 5.29 0.00 2.70 2.66 0.00 0.00 6.93 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 0.00 136 K 8.87 3.98 0.00 1.83 1.82 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.47 7.81 137 G 8.28 4.09 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 0.00 138 A 7.88 4.03 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 0.00 139 E 8.53 3.86 0.00 2.03 2.09 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 2.31 2.33 0.00 140 A 8.63 4.06 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 0.00 141 A 8.21 3.91 1.35 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 0.00 0.00 142 L 7.95 3.93 0.00 2.01 1.72 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 143 T 8.07 3.99 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 144 A 7.93 4.01 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 0.00 0.00 145 L 7.92 3.87 0.00 1.86 1.90 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.63 4.08 0.00 1.99 1.98 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 2.32 2.38 0.00 147 M 8.06 4.04 0.00 2.09 2.33 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.88 0.00 148 I 7.72 3.69 2.05 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 1.68 0.80 0.92 0.00 0.00 149 N 7.97 4.33 0.00 2.84 2.86 0.00 0.00 6.72 9.01 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 0.00 150 V 7.88 3.58 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 0.83 0.00 0.00 1.01 0.00 0.00 151 L 8.40 4.08 0.00 1.92 1.69 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.04 3.84 0.00 1.84 2.09 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.50 7.81 153 A 8.04 4.46 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 0.00 154 I 7.81 3.87 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 1.16 0.73 0.91 0.00 0.00