NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3878 8.3044 120.3195 55.9439 33.7716 174.5257 2 H 4.7185 8.4314 117.3268 55.2660 29.4679 172.6818 3 L 4.7186 8.0859 120.1330 53.4718 44.7594 177.3299 4 T 4.1322 8.2407 119.5515 62.4346 70.3743 174.2108 5 P 4.0647 0.0000 0.0000 66.2598 31.3906 178.8258 6 E 3.9687 8.0537 116.5313 59.3151 29.5137 179.0657 7 E 3.9809 7.8864 118.3011 59.0826 29.6469 179.2631 8 K 3.8840 8.9608 120.0809 59.4727 32.1581 179.5603 9 S 4.1419 8.2935 114.4156 61.3184 62.7943 176.4712 10 A 4.0124 7.8736 123.9994 54.8418 18.1218 179.5259 11 V 3.4487 7.6488 116.6243 66.4832 31.4497 178.0675 12 T 3.9473 8.0205 114.9786 66.9373 68.1891 176.3940 13 A 4.0553 7.9448 121.0138 55.0262 18.6499 179.1814 14 L 3.9187 7.9935 118.5483 57.8861 42.1380 178.6319 15 W 4.4556 8.7488 128.6391 60.7893 30.3369 177.9274 16 G 3.8138 7.9004 104.6637 47.5299 0.0000 174.7012 17 K 4.3750 7.8867 117.6556 55.5439 32.8357 176.7346 18 V 3.8264 7.1805 120.5855 61.7431 32.4255 175.7222 19 N 4.5264 8.2166 125.1568 52.3493 39.0167 175.6387 20 V 3.4993 8.0692 128.6665 65.7199 31.5516 177.2720 21 D 4.3329 8.0754 118.3479 57.4912 40.7686 178.5171 22 E 3.9328 8.4840 118.8079 59.4603 29.4733 179.6504 23 V 3.5787 7.9079 118.5195 65.6387 31.4989 178.3331 24 G 3.6626 8.4417 106.0453 47.7324 0.0000 175.9502 25 G 3.5719 7.7650 108.8328 47.3576 0.0000 175.4281 26 E 3.9050 8.1879 121.8727 58.7121 29.6703 178.6881 27 A 3.9231 8.1635 121.0256 55.2027 18.6323 179.4116 28 L 3.9879 7.9367 118.9983 58.1140 42.1087 179.4101 29 G 3.5517 8.1032 105.7177 47.9100 0.0000 175.8712 30 R 3.8998 8.2429 121.1428 58.6307 30.0206 178.7366 31 L 4.0294 7.9087 120.1242 58.4824 42.0444 179.2873 32 L 4.0431 7.8487 118.1334 57.1057 41.1954 179.5536 33 V 3.6516 7.1013 117.1579 65.3840 31.8655 177.9301 34 V 3.4848 7.7467 117.0225 64.5610 32.8587 175.8428 35 Y 3.7112 7.0469 116.8634 54.0471 37.6132 174.0312 36 P 4.6455 0.0000 0.0000 64.8311 31.4656 178.3940 37 W 4.4028 8.1006 115.7437 59.1376 27.9587 177.8012 38 T 4.2212 7.7364 110.5834 63.9978 68.1973 176.0926 39 Q 4.3375 8.2606 121.4468 57.9904 28.4599 178.0419 40 R 3.7179 7.4857 116.5349 58.7067 29.1897 177.7844 41 F 4.3277 7.1624 116.0554 57.0184 40.3246 175.4952 42 F 4.5897 7.7025 117.6547 56.5637 39.2475 176.6342 43 E 4.1488 7.9981 122.6261 59.3384 30.0112 179.7132 44 S 4.4760 8.0692 111.0459 59.9075 63.4142 175.0501 45 F 4.4925 8.0093 118.9333 59.0942 39.8729 175.4634 46 G 4.0364 7.3364 104.8693 44.3433 0.0000 175.4932 47 D 4.6075 8.7892 127.9305 53.7974 40.7042 175.5750 48 L 4.9202 8.2009 127.8110 54.6513 42.9417 178.4668 49 S 4.3318 8.2759 117.5857 61.0462 63.1479 175.2031 50 T 4.7303 7.4352 109.2942 58.1805 72.8334 172.5248 51 P 4.1892 0.0000 0.0000 66.1611 31.3202 178.3577 52 D 4.3976 8.1715 116.4616 57.6632 40.5876 178.9391 53 A 3.9819 8.3540 119.7028 54.7093 18.4267 179.6787 54 V 3.7431 7.9150 117.1948 66.4787 31.5910 178.2744 55 M 4.1503 8.7386 117.8716 58.0063 31.8138 178.3913 56 G 3.9518 8.1089 104.5702 44.9540 0.0000 173.3409 57 N 4.3636 7.5286 120.9761 52.9442 39.1880 173.6023 58 P 4.2202 0.0000 0.0000 66.0113 31.2645 178.5817 59 K 3.6545 8.0916 118.2673 58.8788 31.7070 179.5611 60 V 3.7340 7.8426 118.1354 66.0532 31.7350 178.1228 61 K 3.9265 8.2318 118.1471 59.4298 31.7172 179.2725 62 A 4.0359 8.2437 121.3288 55.2250 18.2027 179.1979 63 H 4.3558 8.5007 117.1242 59.1120 29.9569 177.6320 64 G 3.6289 8.3584 108.0185 47.7733 0.0000 175.5940 65 K 4.0235 7.9680 121.5845 58.8568 32.1768 178.9761 66 K 3.9433 7.7470 120.1446 59.4035 32.1638 178.9836 67 V 3.5967 7.9785 118.7531 66.2345 31.4707 178.1185 68 L 4.3107 8.2300 118.5267 57.3783 41.3438 179.5710 69 G 3.8024 8.2270 105.9822 47.8624 0.0000 175.3638 70 A 4.1378 7.9951 123.2738 54.5784 18.8265 179.2288 71 F 4.2833 8.5520 118.9775 61.6037 39.5972 176.9911 72 S 4.2638 9.1608 113.3897 62.0332 62.2545 176.1049 73 D 4.5528 8.4220 121.2929 57.0858 40.5270 178.8502 74 G 3.5519 7.9154 105.7772 46.9619 0.0000 175.1183 75 L 3.9712 7.2503 118.7377 55.8293 41.6960 177.7285 76 A 4.5767 7.4796 119.2502 51.8959 19.9481 176.2748 77 H 4.8141 8.0304 115.6479 54.7974 30.0592 175.2247 78 L 3.8461 8.1205 122.2215 57.4231 42.0858 176.7799 79 D 4.8990 7.5211 116.0845 53.9468 41.8782 176.4586 80 N 4.6720 7.8198 113.9153 52.2141 41.2369 175.1154 81 L 4.0327 7.5352 122.8010 57.2817 42.1127 178.6770 82 K 3.9532 8.1481 119.4541 59.8208 31.8694 178.8701 83 G 3.6558 7.9350 104.0861 48.0491 0.0000 175.4047 84 T 3.7474 7.4607 116.9594 65.6301 68.6406 175.8547 85 F 4.7593 8.0176 117.3857 57.0647 39.1891 177.3655 86 A 4.0264 7.5242 121.5794 55.9812 18.2123 180.5922 87 T 3.8707 7.8433 113.3640 66.6735 68.6079 176.6434 88 L 4.1100 7.9576 121.8721 57.8955 42.0548 178.8105 89 S 4.3877 8.4806 115.1299 60.9163 62.3388 176.0108 90 E 4.0165 8.2736 121.3356 59.2243 29.1607 179.0031 91 L 3.9488 7.9235 120.3058 58.6905 42.1429 178.8084 92 H 4.1740 8.3931 116.0167 59.2532 28.2017 176.8348 93 C 4.2554 8.0720 120.8391 62.3533 31.2939 175.3086 94 D 4.4130 8.7994 122.0626 56.2575 40.6366 177.4581 95 K 4.3399 7.6824 116.5949 57.7503 33.7355 177.3883 96 L 4.1406 8.1314 116.9964 55.1414 42.2267 176.3536 97 H 4.1177 7.2762 114.2063 56.6774 26.5196 175.3004 98 V 3.8637 7.7352 118.5432 60.8607 32.4282 174.7982 99 D 4.3819 8.6131 127.4776 53.5726 41.8012 175.1142 100 P 3.6575 0.0000 0.0000 64.9608 31.8533 177.9971 101 E 3.9632 8.4275 118.9285 59.0998 29.3158 178.3711 102 N 4.2781 8.0396 116.8196 56.1941 38.4908 177.2571 103 F 4.4980 7.4252 119.2323 60.6314 38.9698 177.9739 104 R 3.9996 7.8560 117.3034 59.0689 29.9287 178.8220 105 L 3.7339 7.8257 118.8117 57.6316 41.5218 179.3184 106 L 4.0262 8.1201 120.3448 58.0268 42.0504 178.8721 107 G 3.9583 8.1210 105.6952 48.3414 0.0000 175.3199 108 N 4.4617 8.1664 119.1914 55.6728 38.4426 177.7848 109 V 3.5865 7.9780 119.8634 65.8428 31.5861 177.4841 110 L 3.8420 8.7024 121.2005 58.5009 41.8533 179.1310 111 V 3.5456 7.8456 117.7342 66.3765 31.4353 177.7935 112 C 4.1898 8.1137 116.3446 62.5676 27.8259 176.3015 113 V 3.5870 7.8766 120.1624 65.9540 31.0993 178.1057 114 L 3.8290 7.9279 118.7995 57.6747 41.4092 179.4318 115 A 3.8049 7.4076 120.6409 55.0319 18.0408 179.1029 116 H 4.1016 7.8813 115.9871 59.8689 30.0384 177.0202 117 H 3.9753 8.1774 116.6056 58.4143 28.9369 177.1235 118 F 4.5894 8.7142 117.9733 55.8239 39.5515 177.9037 119 G 3.8729 8.7346 108.9622 45.7875 0.0000 175.3263 120 K 3.9460 9.2108 121.5034 59.7687 31.9878 177.1674 121 E 4.0500 8.1071 119.4139 58.4128 29.8633 177.2272 122 F 4.5378 8.0862 122.7388 57.0247 37.8631 175.4062 123 T 4.1952 7.3671 115.4096 59.9846 71.3823 173.5483 124 P 4.2094 0.0000 0.0000 65.7769 31.4536 177.2004 125 P 4.1978 0.0000 0.0000 65.3480 31.2432 178.9579 126 V 3.5822 7.4148 117.0210 65.7632 31.3740 177.8023 127 Q 3.5462 8.3453 119.9243 58.9608 28.8070 178.0493 128 A 3.9877 8.1364 121.6332 55.3234 18.4091 179.5082 129 A 3.9131 7.8587 118.5937 55.5764 18.3975 179.5397 130 Y 3.8031 8.2330 115.2869 61.1432 37.9034 178.6424 131 Q 4.1719 8.7295 119.6419 58.9171 28.7052 178.9931 132 K 4.0151 7.8866 119.2444 59.2069 32.0590 179.6393 133 V 3.4630 7.6188 118.5018 66.1222 31.4234 178.5330 134 V 3.7938 8.3270 112.3680 64.3464 31.3654 178.4366 135 A 4.0959 8.1619 120.6733 55.0611 18.1944 179.7577 136 G 3.5875 8.2603 104.4352 48.0063 0.0000 175.9624 137 V 3.3425 8.3083 121.0507 65.4733 31.5161 177.7401 138 A 3.9236 8.1246 120.6354 55.4033 18.2692 179.4034 139 N 4.2993 8.3539 114.6014 56.3371 38.4018 177.4861 140 A 4.0121 7.8777 121.1060 55.3336 18.6098 179.5552 141 L 3.8335 8.0917 117.3028 57.0880 41.4928 178.8850 142 A 4.4561 7.7492 119.4353 53.2272 18.8921 178.4271 143 H 4.0349 7.8731 117.0404 59.3718 29.8237 176.0312 144 K 4.2590 8.2505 115.4409 56.2902 32.2303 177.3797 145 G 3.8294 7.8123 109.6701 45.9460 0.0000 173.6931 146 H 4.3968 8.2614 117.2824 55.8011 28.2492 173.2716 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 8.30 4.39 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 2 H 8.43 4.72 0.00 3.14 3.23 0.00 5.71 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.09 4.72 0.00 1.57 1.47 0.79 0.91 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 4 T 8.24 4.13 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 1.23 0.00 0.00 5 P 0.00 4.06 0.00 2.12 2.11 0.00 3.56 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 6 E 8.05 3.97 0.00 2.03 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 2.38 2.44 0.00 7 E 7.89 3.98 0.00 2.14 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 2.35 2.34 0.00 8 K 8.96 3.88 0.00 1.77 1.79 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.13 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.56 7.81 9 S 8.29 4.14 0.00 4.04 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 0.00 10 A 7.87 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 11 V 7.65 3.45 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 0.55 0.00 0.00 0.59 0.00 0.00 12 T 8.02 3.95 4.47 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 0.00 0.00 0.00 1.24 0.00 0.00 13 A 7.94 4.06 1.42 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 0.00 0.00 14 L 7.99 3.92 0.00 1.87 2.05 0.42 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.75 4.46 0.00 3.78 3.35 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 16 G 7.90 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 0.00 0.00 0.00 17 K 7.89 4.38 0.00 2.05 2.16 0.00 1.96 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.48 7.81 18 V 7.18 3.83 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.75 0.00 0.00 19 N 8.22 4.53 0.00 2.70 2.60 0.00 0.00 6.84 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 20 V 8.07 3.50 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 1.27 0.00 0.00 0.89 0.00 0.00 21 D 8.08 4.33 0.00 3.01 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 22 E 8.48 3.93 0.00 1.95 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 2.29 2.41 0.00 23 V 7.91 3.58 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 0.97 0.00 0.00 0.67 0.00 0.00 24 G 8.44 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.76 3.57 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 0.00 0.00 0.00 0.00 26 E 8.19 3.90 0.00 2.25 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 0.00 2.29 2.32 0.00 27 A 8.16 3.92 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 28 L 7.94 3.99 0.00 1.76 1.63 0.89 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.10 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 0.00 0.00 0.00 30 R 8.24 3.90 0.00 1.92 1.96 0.00 3.24 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 31 L 7.91 4.03 0.00 1.91 1.91 0.96 0.73 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 32 L 7.85 4.04 0.00 1.88 1.70 0.78 0.78 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 33 V 7.10 3.65 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 0.73 0.00 0.00 0.91 0.00 0.00 34 V 7.75 3.48 1.47 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 -0.06 0.00 0.00 0.80 0.00 0.00 35 Y 7.05 3.71 0.00 2.61 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 36 P 0.00 4.65 0.00 2.34 2.34 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 1.94 0.00 37 W 8.10 4.40 0.00 3.57 3.48 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 38 T 7.74 4.22 4.40 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 1.05 0.00 0.00 39 Q 8.26 4.34 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 40 R 7.49 3.72 0.00 1.59 1.94 0.00 2.96 0.00 0.00 2.50 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.50 0.00 41 F 7.16 4.33 0.00 1.51 2.37 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 42 F 7.70 4.59 0.00 2.84 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.00 4.15 0.00 2.01 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 2.33 2.20 0.00 44 S 8.07 4.48 0.00 4.12 4.10 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 45 F 8.01 4.49 0.00 3.22 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.34 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 0.00 0.00 0.00 47 D 8.79 4.61 0.00 2.68 2.64 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 0.00 0.00 0.00 0.00 48 L 8.20 4.92 0.00 1.66 1.62 1.05 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.28 4.33 0.00 3.94 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.44 4.73 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 51 P 0.00 4.19 0.00 2.15 2.13 0.00 3.60 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 52 D 8.17 4.40 0.00 2.67 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 53 A 8.35 3.98 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 54 V 7.92 3.74 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 1.06 0.00 0.00 0.96 0.00 0.00 55 M 8.74 4.15 0.00 1.96 2.10 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 2.61 2.91 0.00 56 G 8.11 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 0.00 0.00 0.00 57 N 7.53 4.36 0.00 2.93 2.93 0.00 0.00 6.76 7.63 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 58 P 0.00 4.22 0.00 2.24 2.26 0.00 3.73 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 59 K 8.09 3.65 0.00 1.75 0.74 0.00 1.20 0.00 0.00 0.87 0.00 0.00 2.78 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.04 1.19 7.81 60 V 7.84 3.73 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 1.13 0.00 0.00 1.10 0.00 0.00 61 K 8.23 3.93 0.00 1.93 1.82 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.51 7.81 62 A 8.24 4.04 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 63 H 8.50 4.36 0.00 3.52 3.46 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.36 3.63 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 0.00 0.00 0.00 65 K 7.97 4.02 0.00 2.05 1.90 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.44 7.81 66 K 7.75 3.94 0.00 2.00 1.96 0.00 1.76 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.50 7.81 67 V 7.98 3.60 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.87 0.00 0.00 68 L 8.23 4.31 0.00 2.00 1.84 1.24 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.23 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.00 4.14 1.53 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 0.00 0.00 71 F 8.55 4.28 0.00 3.19 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 72 S 9.16 4.26 0.00 4.62 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 0.00 73 D 8.42 4.55 0.00 2.73 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 74 G 7.92 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 0.00 0.00 0.00 75 L 7.25 3.97 0.00 1.51 1.42 -0.43 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.48 4.58 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 77 H 8.03 4.81 0.00 3.03 3.13 0.00 5.83 0.00 0.00 0.00 0.00 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.12 3.85 0.00 1.47 1.61 0.70 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.52 4.90 0.00 2.64 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 N 7.82 4.67 0.00 2.68 2.59 0.00 0.00 7.23 7.29 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 81 L 7.54 4.03 0.00 1.76 1.84 0.84 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.15 3.95 0.00 1.80 1.76 0.00 1.52 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.22 1.37 7.81 83 G 7.93 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.46 3.75 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 0.43 0.00 0.00 85 F 8.02 4.76 0.00 3.20 2.93 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 86 A 7.52 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 87 T 7.84 3.87 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 88 L 7.96 4.11 0.00 1.90 1.93 1.03 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.48 4.39 0.00 4.11 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 90 E 8.27 4.02 0.00 2.22 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 2.36 2.57 0.00 91 L 7.92 3.95 0.00 1.87 1.88 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.39 4.17 0.00 3.52 3.61 0.00 5.86 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 8.07 4.26 0.00 3.00 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 94 D 8.80 4.41 0.00 2.79 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 95 K 7.68 4.34 0.00 1.86 1.81 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.48 7.81 96 L 8.13 4.14 0.00 1.67 1.62 0.72 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.28 4.12 0.00 3.41 3.41 0.00 5.64 0.00 0.00 0.00 0.00 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.74 3.86 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 0.10 0.00 0.00 0.43 0.00 0.00 99 D 8.61 4.38 0.00 2.78 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.66 0.00 2.23 2.25 0.00 3.61 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 101 E 8.43 3.96 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 102 N 8.04 4.28 0.00 2.48 2.63 0.00 0.00 6.89 7.68 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 0.00 103 F 7.43 4.50 0.00 3.16 2.93 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 0.00 104 R 7.86 4.00 0.00 2.01 1.98 0.00 3.34 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 105 L 7.83 3.73 0.00 1.68 1.26 0.68 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.12 4.03 0.00 1.79 1.72 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.12 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 0.00 108 N 8.17 4.46 0.00 2.94 2.95 0.00 0.00 6.73 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 0.00 109 V 7.98 3.59 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.15 0.00 0.00 110 L 8.70 3.84 0.00 1.70 1.88 0.87 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.85 3.55 2.32 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 1.29 0.00 0.00 1.18 0.00 0.00 112 C 8.11 4.19 0.00 3.21 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 0.00 113 V 7.88 3.59 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 1.06 0.00 0.00 0.95 0.00 0.00 114 L 7.93 3.83 0.00 0.89 1.04 0.68 1.25 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 0.00 115 A 7.41 3.80 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 0.00 116 H 7.88 4.10 0.00 3.23 3.56 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 8.18 3.98 0.00 2.82 2.69 0.00 5.70 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.71 4.59 0.00 3.28 3.15 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 0.00 0.00 0.00 0.00 119 G 8.73 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 0.00 120 K 9.21 3.95 0.00 1.92 2.05 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.64 1.56 7.81 121 E 8.11 4.05 0.00 2.36 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 2.35 2.33 0.00 122 F 8.09 4.54 0.00 3.08 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.37 4.20 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 1.33 0.00 0.00 124 P 0.00 4.21 0.00 2.15 2.15 0.00 3.57 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 125 P 0.00 4.20 0.00 2.12 2.06 0.00 3.46 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 2.08 2.11 0.00 126 V 7.41 3.58 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 0.99 0.00 0.00 0.90 0.00 0.00 127 Q 8.35 3.55 0.00 1.55 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 128 A 8.14 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 0.00 129 A 7.86 3.91 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 0.00 130 Y 8.23 3.80 0.00 3.47 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 0.00 131 Q 8.73 4.17 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.77 2.62 0.00 132 K 7.89 4.02 0.00 1.92 1.83 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.46 1.63 7.81 133 V 7.62 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 0.83 0.00 0.00 0.73 0.00 0.00 134 V 8.33 3.79 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 1.03 0.00 0.00 1.11 0.00 0.00 135 A 8.16 4.10 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 0.00 136 G 8.26 3.59 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 0.00 0.00 0.00 137 V 8.31 3.34 2.18 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 0.67 0.00 0.00 0.70 0.00 0.00 138 A 8.12 3.92 1.44 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 0.00 139 N 8.35 4.30 0.00 2.98 2.88 0.00 0.00 6.94 7.63 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 0.00 140 A 7.88 4.01 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 0.00 141 L 8.09 3.83 0.00 1.27 0.57 -0.13 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.75 4.46 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 0.00 0.00 0.00 0.00 0.00 143 H 7.87 4.03 0.00 3.29 3.59 0.00 5.75 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.25 4.26 0.00 1.82 1.84 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.49 1.79 7.81 145 G 7.81 3.83 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 0.00 0.00 0.00 146 H 8.26 4.40 0.00 3.23 3.23 0.00 5.76 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00