NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2138 8.4445 119.1078 53.9942 28.6859 174.2753 4 L 3.7264 8.1448 123.5795 53.2633 41.3909 175.2278 5 T 4.1525 8.2321 118.1251 60.9378 70.1708 174.3564 6 E 3.9857 8.5421 120.3443 59.3760 29.4945 178.3031 7 E 3.7870 8.0090 120.1419 59.1439 29.4604 178.2742 8 Q 4.0896 7.5821 116.5942 57.7788 29.3846 176.8702 9 I 4.3489 8.4990 120.7909 63.7122 38.5043 177.3498 10 A 4.1348 8.1762 121.0209 55.8648 17.7444 178.6605 11 E 4.0188 7.8460 116.6012 58.9257 29.6420 178.8768 12 F 4.1945 8.5166 119.9353 60.8076 39.5197 177.0948 13 K 4.4447 8.4573 120.3635 58.8725 32.4067 178.9695 14 E 4.4908 8.4087 121.1280 56.5521 28.5848 177.3472 15 A 4.2996 7.8675 120.7871 53.9855 21.4209 178.3070 16 F 4.2692 8.7000 114.9489 60.8995 38.9785 178.6357 17 S 3.8034 7.3162 112.9170 61.3081 64.1567 175.3256 18 L 4.1232 8.0619 123.0971 56.6844 41.6465 178.7636 19 F 4.9658 7.2970 118.5516 55.4770 37.4761 174.3649 20 D 4.5086 7.7533 120.4636 53.5129 41.9440 174.6945 21 K 4.2978 8.3779 121.9609 56.0661 32.7073 176.3418 22 D 5.0001 7.7684 118.3946 51.6700 41.6904 175.6697 23 G 4.2171 8.2401 106.1914 45.4167 0.0000 174.3692 24 D 4.3863 8.1382 119.5493 57.3911 39.7377 177.0826 25 G 3.8124 6.7027 110.4164 44.6784 0.0000 172.6862 26 T 5.5118 8.4149 109.7294 58.3151 71.4638 172.9147 27 I 4.4478 7.9630 117.3999 59.2212 40.2908 174.6456 28 T 4.4640 7.8778 117.8042 60.4499 69.5222 174.4926 29 T 3.9087 8.9806 119.8967 65.5252 69.3117 177.8340 30 K 4.2885 7.5584 120.2986 59.1938 32.9182 178.2465 31 E 4.2670 7.6743 116.6333 57.7750 29.8147 178.1341 32 L 4.0428 8.4284 122.5443 58.5459 42.1041 178.2784 33 G 3.7221 8.4317 105.0878 47.8729 0.0000 175.5428 34 T 3.9161 7.9168 116.8386 66.0845 68.6524 176.1969 35 V 3.7250 8.1314 120.3048 66.1116 31.4903 177.6792 36 M 4.0606 8.1659 117.9735 58.7029 31.5976 178.4247 37 R 5.0326 7.9237 119.7037 59.5449 29.9448 178.4784 38 S 4.2651 7.9588 113.0678 61.5455 62.9696 176.3505 39 L 4.0801 8.1319 122.5716 56.1113 42.3293 176.0764 40 G 4.0071 7.9707 109.4859 45.5247 0.0000 173.7771 41 Q 4.5649 8.1547 115.7730 54.5673 33.2737 175.2313 42 N 4.9365 8.5311 118.6217 52.9116 39.1579 172.2864 43 P 4.0646 0.0000 0.0000 61.9821 31.1603 175.5279 44 T 3.7978 8.7486 113.0793 62.0519 68.6419 174.4075 45 E 4.0997 8.9232 122.8967 57.9135 29.8648 177.8298 46 A 4.4389 8.1437 121.8344 54.2389 19.1217 179.1823 47 E 4.1062 8.4413 116.5934 58.6110 29.5314 179.1067 48 L 4.2911 7.8588 118.8840 57.4603 41.9005 178.2059 49 Q 4.0409 7.9788 118.7122 58.9686 28.6408 178.3233 50 D 4.4528 7.9621 119.8577 56.7325 39.7086 178.1118 51 M 4.0391 7.5098 117.4225 58.4428 31.8560 178.0540 52 I 3.9688 7.7650 117.5252 62.6959 38.4003 176.4112 53 N 4.6571 8.0353 115.9683 54.6788 39.5198 174.3929 54 E 4.5355 7.9545 118.4364 58.1457 31.1645 177.6054 55 V 3.8321 7.4449 113.3821 62.2052 31.5793 176.2234 56 D 4.5496 7.6887 115.1656 54.6553 43.4585 175.3695 57 A 4.5770 7.5816 122.0613 52.1861 19.0624 178.9548 58 D 4.3543 7.7806 113.9305 56.1342 40.0676 176.3581 59 G 3.9781 7.3270 109.8355 45.2905 0.0000 176.4663 60 N 3.8688 7.1102 117.5542 54.2900 38.8706 176.9811 61 G 4.1075 8.6248 108.2056 44.8868 0.0000 172.2282 62 T 5.0259 7.7558 109.6503 59.9602 72.6560 172.8482 63 I 4.6146 8.2575 121.4087 60.2965 41.5007 175.0586 64 D 5.2215 9.5540 127.6256 53.2057 42.3902 176.7360 65 F 3.7588 9.3682 123.2812 61.2421 39.1035 174.9214 66 P 4.3582 0.0000 0.0000 65.9824 30.9687 178.0308 67 E 4.0429 7.9187 116.0452 58.7683 29.5464 177.8540 68 F 4.4450 8.0112 119.5962 59.6451 40.3939 177.1958 69 L 3.1515 8.0153 120.0954 58.2946 41.7316 179.3956 70 T 3.9287 7.6488 115.3393 65.7870 69.0408 176.4119 71 M 3.7517 7.5517 120.0947 59.1382 32.0926 178.8442 72 M 3.7831 7.7813 118.6798 57.6680 32.1512 180.0912 73 A 4.2863 7.3043 121.7854 52.0291 17.7568 178.0687 74 R 4.3270 9.4467 119.8093 59.3050 32.0234 176.5999 75 K 4.1437 7.2442 112.6698 57.7834 32.9184 177.0353 76 M 4.3728 7.6356 120.7190 54.3695 30.4107 174.3891 77 K 4.4618 6.7650 118.2268 57.9366 37.0557 177.9046 78 D 4.4047 7.9577 117.8035 57.7448 42.0622 178.3580 79 T 3.9972 7.8304 110.1863 62.8007 66.6153 174.7644 80 D 4.7188 8.1076 116.0957 55.1350 40.7271 177.5206 81 S 4.1625 8.7029 114.7033 59.1818 62.6306 175.3499 82 E 3.8972 7.4355 122.4534 59.4819 29.5242 178.2922 83 E 4.1505 8.1623 118.3079 59.1622 30.0401 177.7966 84 E 3.9841 8.2631 118.2203 59.9282 29.5462 179.5420 85 I 3.8782 8.0833 119.4657 64.5437 37.1190 178.1914 86 R 4.4461 8.3478 118.2841 58.2916 29.9459 177.5023 87 E 4.3568 8.1117 116.8784 58.1518 30.3837 177.9122 88 A 4.1738 8.2704 121.2174 55.2135 18.5934 178.9630 89 F 2.9963 8.7118 119.2099 61.6983 39.1652 177.6996 90 R 3.8841 7.7791 115.8239 59.0107 29.8230 179.0518 91 V 3.6907 7.5564 117.5542 66.1265 31.6840 177.7033 92 F 4.0956 8.2951 116.0316 60.0282 40.2429 176.7502 93 D 4.5114 7.5520 118.1354 53.7199 36.6979 177.0747 94 K 3.8868 7.4568 121.0477 58.7093 32.9282 177.8458 95 D 4.7468 8.0490 115.5895 52.4993 40.7466 177.0697 96 G 3.9990 8.5323 107.8185 45.2748 0.0000 173.5586 97 N 4.5890 8.3122 115.9813 52.5822 37.2782 176.2690 98 G 4.0390 8.2644 105.4472 46.5241 0.0000 173.2388 99 Y 5.1650 7.6862 115.9735 56.1181 41.1224 175.0484 100 I 4.5983 9.2882 124.7562 60.1736 39.1437 174.9318 101 S 4.8279 8.8897 120.9815 55.9957 65.5240 174.9337 102 A 3.9830 9.0131 123.5540 56.2476 17.8103 179.0702 103 A 3.9446 8.2924 118.3273 55.9420 17.7452 179.2611 104 E 3.8425 8.0889 113.9386 59.0200 29.7783 178.9499 105 L 4.1740 8.5080 121.6413 58.1838 42.1877 178.8658 106 R 3.8919 8.3270 118.5657 59.7755 29.9700 177.7275 107 H 4.2774 8.6109 115.8413 58.0654 30.1003 175.3757 108 V 4.0738 7.3361 117.0009 64.0991 33.8549 177.1414 109 M 4.0976 8.5481 120.3008 58.4506 31.5412 178.8297 110 T 4.5502 7.9337 111.1510 64.7326 68.9013 176.1930 111 N 4.2165 8.1062 118.5401 55.6461 38.5197 176.0368 112 L 4.4469 7.4848 117.8429 54.8453 42.3495 177.7677 113 G 3.8602 7.9706 105.7361 45.8767 0.0000 173.4581 114 E 4.4779 7.9975 120.8577 53.9465 31.0577 174.9948 115 K 4.6969 8.5520 125.6660 55.0579 32.6652 175.7298 116 L 4.7818 8.2069 123.7537 52.8178 44.5472 176.1596 117 T 4.2195 8.2328 116.7094 61.2098 67.0241 174.9805 118 D 4.3998 8.8727 127.7365 57.4563 40.7566 178.4492 119 E 4.3942 8.2163 118.2233 59.0195 30.0407 178.2149 120 E 4.1544 8.7928 119.1308 59.2113 29.7465 179.3595 121 V 3.7156 7.7485 117.8648 66.0164 31.4904 176.9819 122 D 4.6556 7.4666 115.5173 55.5004 40.6810 177.0332 123 Q 4.4027 8.1363 120.6152 58.4822 30.3002 176.3150 124 M 4.2208 8.2693 120.1051 57.0540 32.0158 178.8013 125 I 3.4822 8.1179 118.3710 64.3097 37.6753 177.6115 126 R 3.8207 8.1329 118.7434 60.2064 29.7439 178.0743 127 E 4.0213 8.1604 117.5140 58.5258 29.7043 177.9462 128 A 4.3923 8.1655 119.8948 52.5282 19.3775 176.7970 129 D 4.7051 7.4586 117.6575 54.0976 41.7903 175.9460 130 I 4.1245 8.9799 128.1614 62.7209 37.9012 176.3499 131 D 4.6507 8.5365 116.6419 52.6839 39.7471 177.1446 132 G 4.0489 8.4706 109.4843 45.7253 0.0000 174.6764 133 D 4.3192 7.9640 118.2046 54.9742 39.2094 176.6907 134 G 3.7864 11.1379 107.6430 45.6125 0.0000 173.2826 135 Q 4.6533 7.6790 111.8280 55.1888 31.0753 174.0092 136 V 4.3741 8.1277 116.9008 61.2183 33.2511 175.5458 137 N 5.1650 9.4889 122.9776 51.4273 40.2320 175.0562 138 Y 2.9689 8.1529 118.3321 60.7023 38.5167 177.5208 139 E 3.7508 7.9908 118.4992 59.7537 29.6219 179.3056 140 E 3.9782 10.5481 117.9597 59.2649 29.3917 179.4003 141 F 4.1718 8.4933 121.0862 61.4389 39.6664 177.3211 142 V 3.3877 8.3187 118.9072 66.0682 31.2142 177.9434 143 Q 3.8396 7.9211 117.6143 58.9684 28.4374 177.8401 144 M 3.8140 7.7767 118.2917 59.5432 32.2389 177.7580 145 M 3.9618 7.7449 117.3232 58.6351 32.4856 177.9509 146 T 4.0328 7.7399 109.6763 63.4106 69.1944 173.8165 147 A 3.8112 7.4102 127.9195 51.3298 18.5393 177.3943 148 K 4.1071 8.5637 122.4445 57.1495 32.3019 176.5906 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 Q 8.44 4.21 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 4 L 8.14 3.73 0.00 1.74 1.52 0.92 0.61 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 5 T 8.23 4.15 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 1.22 0.00 0.00 6 E 8.54 3.99 0.00 2.25 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 0.00 2.37 2.38 0.00 7 E 8.01 3.79 0.00 2.05 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 2.35 2.35 0.00 8 Q 7.58 4.09 0.00 2.27 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.30 2.57 0.00 9 I 8.50 4.35 2.05 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 1.80 0.73 1.10 0.00 0.00 10 A 8.18 4.13 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 11 E 7.85 4.02 0.00 2.09 1.81 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 2.35 2.65 0.00 12 F 8.52 4.19 0.00 3.08 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.46 4.44 0.00 2.11 1.88 0.00 1.57 0.00 0.00 1.53 0.00 0.00 2.79 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.15 0.86 7.81 14 E 8.41 4.49 0.00 2.01 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 0.00 2.32 2.25 0.00 15 A 7.87 4.30 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 16 F 8.70 4.27 0.00 3.27 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 17 S 7.32 3.80 0.00 3.97 4.08 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 0.00 0.00 0.00 0.00 18 L 8.06 4.12 0.00 1.31 1.33 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.30 4.97 0.00 2.95 2.80 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 20 D 7.75 4.51 0.00 2.84 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 21 K 8.38 4.30 0.00 1.77 1.81 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.41 7.81 22 D 7.77 5.00 0.00 2.74 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 23 G 8.24 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 0.00 0.00 0.00 0.00 24 D 8.14 4.39 0.00 2.86 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 6.70 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 26 T 8.41 5.51 4.28 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 1.29 0.00 0.00 27 I 7.96 4.45 1.56 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.32 0.35 0.00 0.00 28 T 7.88 4.46 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 1.21 0.00 0.00 29 T 8.98 3.91 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 1.22 0.00 0.00 30 K 7.56 4.29 0.00 1.80 1.81 0.00 1.63 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.47 7.81 31 E 7.67 4.27 0.00 2.32 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 0.00 2.18 2.20 0.00 32 L 8.43 4.04 0.00 1.82 1.89 1.19 1.13 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 33 G 8.43 3.72 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 0.00 0.00 0.00 34 T 7.92 3.92 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 0.82 0.00 0.00 35 V 8.13 3.72 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 1.06 0.00 0.00 1.05 0.00 0.00 36 M 8.17 4.06 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.03 2.84 0.00 37 R 7.92 5.03 0.00 2.04 2.16 0.00 3.15 0.00 0.00 3.27 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 38 S 7.96 4.27 0.00 4.49 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 0.00 39 L 8.13 4.08 0.00 1.67 1.70 0.72 0.27 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 40 G 7.97 4.01 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 0.00 0.00 0.00 41 Q 8.15 4.56 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 42 N 8.53 4.94 0.00 2.65 2.76 0.00 0.00 7.03 7.69 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 43 P 0.00 4.06 0.00 2.25 2.11 0.00 4.00 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 44 T 8.75 3.80 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 1.21 0.00 0.00 45 E 8.92 4.10 0.00 1.98 2.05 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 2.32 2.26 0.00 46 A 8.14 4.44 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 47 E 8.44 4.11 0.00 2.14 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 2.34 2.36 0.00 48 L 7.86 4.29 0.00 1.71 1.74 1.01 0.93 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 49 Q 7.98 4.04 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 50 D 7.96 4.45 0.00 2.95 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 51 M 7.51 4.04 0.00 2.14 2.32 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 2.93 2.56 0.00 52 I 7.77 3.97 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.65 1.02 0.00 0.00 53 N 8.04 4.66 0.00 2.91 2.83 0.00 0.00 6.90 6.95 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 54 E 7.95 4.54 0.00 2.15 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 2.20 2.27 0.00 55 V 7.44 3.83 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 0.81 0.00 0.00 0.94 0.00 0.00 56 D 7.69 4.55 0.00 2.72 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 57 A 7.58 4.58 1.30 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 0.00 0.00 58 D 7.78 4.35 0.00 2.60 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 59 G 7.33 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 0.00 0.00 0.00 60 N 7.11 3.87 0.00 2.85 2.89 0.00 0.00 6.27 7.00 0.00 0.00 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 G 8.62 4.11 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 0.00 0.00 0.00 62 T 7.76 5.03 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 1.20 0.00 0.00 63 I 8.26 4.61 2.12 0.00 0.00 1.00 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 1.13 1.18 0.00 0.00 64 D 9.55 5.22 0.00 2.85 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 65 F 9.37 3.76 0.00 3.10 3.08 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 0.00 0.00 0.00 0.00 66 P 0.00 4.36 0.00 2.25 2.11 0.00 4.01 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 67 E 7.92 4.04 0.00 2.44 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 0.00 2.49 2.43 0.00 68 F 8.01 4.45 0.00 3.03 2.61 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 0.00 0.00 0.00 0.00 69 L 8.02 3.15 0.00 1.39 1.49 0.98 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.65 3.93 4.15 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 1.13 0.00 0.00 71 M 7.55 3.75 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 72 M 7.78 3.78 0.00 1.29 1.05 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.21 0.00 73 A 7.30 4.29 1.06 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 0.00 0.00 74 R 9.45 4.33 0.00 1.66 2.06 0.00 3.23 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 75 K 7.24 4.14 0.00 1.83 1.84 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.52 7.81 76 M 7.64 4.37 0.00 1.88 2.07 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 2.57 2.58 0.00 77 K 6.76 4.46 0.00 1.67 1.61 0.00 1.65 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.44 7.81 78 D 7.96 4.40 0.00 2.67 2.65 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 79 T 7.83 4.00 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 1.26 0.00 0.00 80 D 8.11 4.72 0.00 3.04 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 81 S 8.70 4.16 0.00 3.87 3.90 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 0.00 0.00 0.00 0.00 82 E 7.44 3.90 0.00 1.83 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 83 E 8.16 4.15 0.00 2.16 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 84 E 8.26 3.98 0.00 2.29 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 2.45 2.55 0.00 85 I 8.08 3.88 2.27 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 1.43 0.72 1.03 0.00 0.00 86 R 8.35 4.45 0.00 2.02 2.11 0.00 2.98 0.00 0.00 2.91 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.10 0.00 87 E 8.11 4.36 0.00 2.30 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 2.37 2.68 0.00 88 A 8.27 4.17 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 0.00 0.00 0.00 0.00 0.00 89 F 8.71 3.00 0.00 3.13 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 90 R 7.78 3.88 0.00 1.80 1.99 0.00 3.23 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.90 0.00 91 V 7.56 3.69 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 0.69 0.00 0.00 1.02 0.00 0.00 92 F 8.30 4.10 0.00 2.64 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 93 D 7.55 4.51 0.00 2.03 2.34 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 94 K 7.46 3.89 0.00 2.15 1.90 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.67 1.59 7.81 95 D 8.05 4.75 0.00 2.70 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 96 G 8.53 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 97 N 8.31 4.59 0.00 3.11 3.14 0.00 0.00 6.09 7.07 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 98 G 8.26 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 99 Y 7.69 5.17 0.00 2.84 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 0.00 100 I 9.29 4.60 2.04 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.25 0.96 0.00 0.00 101 S 8.89 4.83 0.00 3.90 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 0.00 102 A 9.01 3.98 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 0.00 103 A 8.29 3.94 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 0.00 104 E 8.09 3.84 0.00 2.38 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 105 L 8.51 4.17 0.00 1.86 1.95 1.21 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.33 3.89 0.00 2.00 2.18 0.00 3.19 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 107 H 8.61 4.28 0.00 3.09 3.45 0.00 5.94 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.34 4.07 1.65 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 0.52 0.00 0.00 0.79 0.00 0.00 109 M 8.55 4.10 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.96 0.00 110 T 7.93 4.55 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 1.25 0.00 0.00 111 N 8.11 4.22 0.00 2.71 2.87 0.00 0.00 6.93 7.85 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 0.00 112 L 7.48 4.45 0.00 1.56 1.66 0.84 1.18 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 0.00 113 G 7.97 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 0.00 114 E 8.00 4.48 0.00 2.07 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 2.24 2.31 0.00 115 K 8.55 4.70 0.00 1.78 1.76 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.39 7.81 116 L 8.21 4.78 0.00 1.62 1.57 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 117 T 8.23 4.22 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 1.22 0.00 0.00 118 D 8.87 4.40 0.00 2.79 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 0.00 119 E 8.22 4.39 0.00 1.97 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 2.33 2.49 0.00 120 E 8.79 4.15 0.00 2.10 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 2.32 0.00 121 V 7.75 3.72 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 1.19 0.00 0.00 0.97 0.00 0.00 122 D 7.47 4.66 0.00 2.97 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 0.00 123 Q 8.14 4.40 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 7.01 0.00 0.00 0.00 0.00 0.00 2.30 2.53 0.00 124 M 8.27 4.22 0.00 2.14 2.13 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 2.90 2.66 0.00 125 I 8.12 3.48 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.82 0.95 0.00 0.00 126 R 8.13 3.82 0.00 2.05 2.12 0.00 3.19 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 127 E 8.16 4.02 0.00 2.04 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 0.00 2.33 2.33 0.00 128 A 8.17 4.39 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 0.00 129 D 7.46 4.71 0.00 2.73 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 0.00 130 I 8.98 4.12 1.89 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 1.36 0.71 0.91 0.00 0.00 131 D 8.54 4.65 0.00 2.79 2.78 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 0.00 132 G 8.47 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 0.00 133 D 7.96 4.32 0.00 2.67 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 0.00 134 G 11.14 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 7.68 4.65 0.00 2.26 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.68 6.88 0.00 0.00 0.00 0.00 0.00 1.98 2.25 0.00 136 V 8.13 4.37 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 0.81 0.00 0.00 1.12 0.00 0.00 137 N 9.49 5.16 0.00 2.70 3.23 0.00 0.00 6.34 7.13 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 0.00 138 Y 8.15 2.97 0.00 1.96 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 0.00 139 E 7.99 3.75 0.00 2.18 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 2.37 2.38 0.00 140 E 10.55 3.98 0.00 2.35 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 2.36 2.49 0.00 141 F 8.49 4.17 0.00 3.31 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 0.00 142 V 8.32 3.39 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 0.80 0.00 0.00 -0.23 0.00 0.00 143 Q 7.92 3.84 0.00 2.30 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.44 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 144 M 7.78 3.81 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.64 0.00 145 M 7.74 3.96 0.00 1.82 1.67 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 146 T 7.74 4.03 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 1.17 0.00 0.00 147 A 7.41 3.81 1.30 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 0.00 0.00 148 K 8.56 4.11 0.00 1.71 1.69 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.42 7.81