NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.3322 8.3149 120.0042 56.2492 34.7502 175.9598 7 L 4.3153 7.7669 119.6228 53.2001 42.7582 174.1875 8 H 5.0606 9.1142 116.5296 54.1438 33.1874 171.7772 9 K 4.7096 8.5884 119.4253 55.6070 33.3874 175.8913 10 E 4.9994 9.1507 123.9360 53.5690 33.0644 173.9621 11 P 5.0006 0.0000 0.0000 63.3845 32.2714 174.9439 12 A 4.8964 8.4599 121.8425 51.4001 23.0738 175.4382 13 T 4.6281 8.5567 115.2139 61.3255 71.9187 173.9043 14 L 4.1609 8.6391 128.3692 55.8428 42.3083 175.7891 15 I 4.3805 8.6898 128.1007 61.9745 37.8735 175.7965 16 K 4.5712 7.5188 118.3198 55.9263 35.5408 173.7538 17 A 4.5859 8.6553 125.8061 51.9920 19.6548 176.9718 18 I 4.2913 8.3848 123.8821 62.6854 38.7036 175.1446 19 D 4.6101 6.9057 116.6655 52.5622 40.9765 174.6779 20 G 3.7533 8.9616 106.4039 48.4887 0.0000 173.7356 21 D 5.0235 8.3097 116.4114 52.9554 41.3900 175.5650 22 T 5.1368 8.3627 116.5290 62.2475 72.2809 173.3780 23 V 4.8336 8.9820 118.7904 59.5791 36.5375 174.4412 24 K 5.1099 9.2032 123.7531 55.2044 33.9607 175.7202 25 L 5.2387 9.2574 123.9967 53.1106 46.6206 175.1595 26 M 4.8198 9.0881 122.2247 54.8778 33.6795 174.2615 27 Y 4.9986 9.0734 127.9034 55.9376 41.9870 175.5704 28 K 3.6319 9.4394 127.6186 57.4772 29.7168 176.2576 29 G 3.9077 8.3018 104.9669 45.3897 0.0000 173.1942 30 Q 4.5474 7.8913 122.2551 53.0701 30.3257 172.8800 31 P 4.8633 0.0000 0.0000 63.4324 31.9651 175.3767 32 M 4.9537 9.1407 121.3618 54.0830 37.1170 173.9754 33 T 4.8557 8.4523 118.0789 62.8796 70.5568 173.6947 34 F 5.1148 9.6214 124.6347 55.5686 42.2657 174.2689 35 R 4.9968 8.9272 122.9772 54.1475 32.7657 174.7438 36 L 4.4173 8.7079 127.2563 54.6523 41.9236 177.2736 37 L 3.9459 8.7883 124.7540 55.6934 42.8921 177.9209 38 L 4.1523 8.8309 119.4224 55.0141 39.4042 174.0097 39 V 5.1158 7.3780 110.4073 59.7530 36.2430 174.7095 40 D 4.9792 9.1276 121.4986 53.1336 43.9875 174.7361 41 T 4.7467 8.7749 116.8055 59.9603 70.3689 173.2686 42 P 4.5034 0.0000 0.0000 62.4585 32.2157 176.0658 43 E 4.2075 9.1222 122.4358 56.4205 30.0537 177.3679 44 T 4.6155 8.4145 112.8458 60.9257 70.5224 174.3319 45 K 4.3328 8.5536 120.7090 57.8696 34.3304 176.3229 46 H 4.3205 8.2387 119.1075 54.8987 30.5022 173.5135 47 P 4.0589 0.0000 0.0000 65.4665 31.2181 176.8522 48 K 4.2377 8.1426 121.7686 58.3459 31.1605 174.7510 49 K 4.3758 9.9790 132.7243 55.9936 29.4646 177.0324 50 G 3.7352 7.4431 107.6207 44.3534 0.0000 172.3661 51 V 4.0430 8.1046 119.7861 62.3446 31.6766 176.6004 52 E 4.3565 9.1721 128.7934 55.3505 31.0651 176.4486 53 K 4.0435 8.3605 123.3489 58.0177 32.7540 176.8618 54 Y 4.3156 7.9131 121.9619 59.0550 36.2010 171.4719 55 G 3.6203 8.1673 107.7632 47.5461 0.0000 174.0531 56 P 4.2736 0.0000 0.0000 65.1540 31.3887 178.6257 57 E 3.9996 8.1709 116.5735 59.2975 29.4328 179.0674 58 A 3.9978 8.3225 121.0351 55.2501 18.0981 179.6929 59 S 4.0552 8.2985 113.5511 61.8575 62.8877 176.8539 60 A 4.0820 8.3513 123.5715 55.0525 18.1209 179.3298 61 F 3.9504 8.6219 119.3704 61.8888 39.4730 177.4566 62 T 3.9491 8.4290 115.5242 66.4592 68.2015 176.4480 63 K 3.8780 8.2081 121.4783 59.4909 32.2398 178.8429 64 K 3.8513 8.1522 118.7654 59.6170 31.7567 178.8956 65 M 3.8491 7.5319 116.8272 58.9051 32.1053 178.4118 66 V 3.8033 7.9177 112.3682 64.1368 31.5447 178.4876 67 E 4.0456 8.2749 117.9423 58.6974 29.3889 177.9374 68 N 4.6716 7.9118 113.7123 52.1975 39.2534 175.1362 69 A 4.4577 6.8623 123.8149 51.6869 19.3850 178.4558 70 K 4.1646 9.0980 121.4200 58.6152 32.5910 178.1817 71 K 4.6502 8.3958 117.9906 54.5759 35.9525 175.5669 72 I 4.9068 8.4046 125.2668 59.7054 39.8761 174.4758 73 E 5.1629 9.2365 125.0339 54.6776 33.7687 175.0861 74 V 4.6981 8.7358 116.0746 59.4940 35.2153 174.6559 75 E 5.0855 8.9266 124.3078 53.1545 32.1196 175.1855 76 F 4.5740 8.7926 125.6674 57.7845 40.0022 175.6207 77 D 5.0410 8.4313 120.5500 53.7281 43.0023 175.8412 78 K 4.4211 8.7610 116.2721 57.6197 33.5197 178.1579 79 G 4.1900 8.2434 108.0736 44.7471 0.0000 174.7956 80 Q 3.9895 8.7985 123.8797 56.6496 29.1015 176.7178 81 R 4.4936 8.4962 119.8725 56.5360 31.1105 175.9949 82 T 4.9964 7.4036 106.9261 59.6206 72.0430 173.4095 83 D 4.7331 8.5071 123.0771 51.7585 41.7522 177.0492 84 K 3.7569 8.2370 117.0284 59.9707 32.5132 177.0850 85 Y 4.2643 7.8211 115.2546 57.8464 37.9171 176.0952 86 G 3.8963 8.2439 108.4022 45.3921 0.0000 173.7521 87 R 4.3062 8.3395 119.9295 54.9676 31.5982 176.4443 88 G 3.3571 8.4963 111.9376 46.2661 0.0000 172.2992 89 L 5.3382 8.8284 124.8858 53.1740 42.9592 175.6679 90 A 4.5210 8.3532 124.5723 50.7221 23.5971 173.9963 91 Y 4.7818 8.6920 117.4545 57.3063 39.6581 175.1300 92 I 4.8360 8.5722 124.6352 59.6305 40.4005 174.0672 93 Y 5.0812 9.2929 123.8868 56.0449 41.0549 174.5303 94 A 4.8177 9.2109 126.1789 49.9728 21.2298 176.2259 95 D 4.2587 9.6565 125.2422 56.1675 38.9740 175.6350 96 G 3.9635 8.2306 104.1192 45.5466 0.0000 173.2369 97 K 4.4693 7.9963 120.7780 54.8821 33.3890 175.6042 98 M 4.0483 8.5068 123.7853 55.0740 33.1719 176.9296 99 V 3.6004 8.6471 127.1632 66.1295 31.6731 177.6023 100 N 4.2961 8.1058 115.7945 56.4649 38.3910 176.8345 101 E 3.8807 8.0654 119.6802 59.1428 29.9286 178.2767 102 A 4.0708 8.2028 120.9970 55.2840 18.3734 179.5199 103 L 3.5192 8.1128 117.3938 57.9073 41.7404 180.0388 104 V 3.8415 7.4676 119.3710 65.5289 31.2603 178.0450 105 R 4.0984 8.2007 117.8349 59.3248 30.0219 177.7159 106 Q 4.2130 7.9478 115.2166 55.4380 29.0073 176.1722 107 G 3.8478 8.0137 108.7445 46.7771 0.0000 174.7766 108 L 4.5022 7.8634 117.6232 54.1099 42.2413 176.4012 109 A 4.7618 7.4452 119.9046 50.6269 22.8056 175.3785 110 K 4.8424 8.4837 119.2057 54.5308 35.1655 176.1030 111 V 4.2948 8.8527 123.6139 63.0994 32.0400 175.0723 112 A 4.2724 9.1044 127.9370 50.7048 23.2773 174.8713 113 Y 3.1013 7.4615 113.8318 58.9257 35.3038 173.0500 114 V 3.7565 7.2373 118.4295 62.3313 31.6634 174.3284 115 Y 4.7513 8.1565 125.8061 55.7292 39.6646 176.0451 116 K 4.4759 8.6769 124.9229 56.0253 32.7641 175.0477 117 P 4.6801 0.0000 0.0000 63.2853 31.9616 176.9556 118 N 4.9781 7.9420 118.5582 52.7226 37.2356 174.7448 119 N 5.2477 7.6019 111.2656 52.8262 38.8826 177.6548 120 T 3.8519 8.7038 118.4649 67.6689 68.7622 175.1104 121 H 4.8109 8.0655 116.0961 55.6777 29.1034 176.4624 122 E 3.9704 8.3694 123.4870 59.4523 29.2681 178.8014 123 Q 3.9285 8.0108 119.0623 59.4144 29.2500 177.4186 124 H 4.1716 8.1765 118.7689 59.3320 29.9674 177.0772 125 L 3.8672 8.0616 120.8131 57.7060 41.4355 179.7447 126 R 3.9622 8.4044 118.5120 59.3603 29.9878 179.4201 126A G 3.5945 8.3495 104.6985 46.9110 0.0000 173.9802 127 K 4.3307 7.7639 119.3909 58.2471 33.5577 178.2921 128 S 4.0443 7.9722 114.7731 61.6841 62.9266 176.5563 129 E 3.9296 8.5637 122.2061 59.0324 29.3082 178.3565 130 A 3.7750 7.7851 120.8639 55.3123 18.3749 179.4380 131 Q 3.7997 8.1683 117.6022 59.2310 29.0757 178.2351 132 A 4.0345 7.9424 121.8309 54.9570 18.3066 179.6770 133 K 3.3247 7.9146 117.2120 59.4894 31.8801 179.4928 134 K 3.8222 7.7660 117.2570 59.5643 32.1282 178.5190 135 E 4.1714 8.0380 115.4677 55.6867 30.1763 176.4626 136 K 4.1451 7.9184 117.3462 56.2844 30.3043 175.6670 137 L 4.3276 8.3127 118.8098 55.0857 44.3790 178.2479 138 N 3.5907 9.4563 121.0321 53.8573 37.6378 176.3764 139 I 3.1722 5.4200 119.9603 63.9176 38.2930 177.6317 140 W 4.8571 7.8142 120.0411 56.5448 29.1068 176.5567 141 S 4.4545 8.1126 119.9861 58.5698 62.6541 173.9492 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 6 K 8.31 4.33 0.00 1.93 2.04 0.00 1.57 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.52 7.81 7 L 7.77 4.32 0.00 1.82 1.76 1.12 0.89 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 8 H 9.11 5.06 0.00 3.18 3.37 0.00 5.44 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.59 4.71 0.00 1.56 1.74 0.00 1.35 0.00 0.00 1.18 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.99 1.20 7.81 10 E 9.15 5.00 0.00 2.06 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 0.00 2.41 2.31 0.00 11 P 0.00 5.00 0.00 2.10 2.07 0.00 3.84 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 12 A 8.46 4.90 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 13 T 8.56 4.63 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 1.22 0.00 0.00 14 L 8.64 4.16 0.00 1.63 1.58 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.69 4.38 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.82 0.94 0.00 0.00 16 K 7.52 4.57 0.00 1.79 1.86 0.00 1.51 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.43 7.81 17 A 8.66 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 18 I 8.38 4.29 2.06 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 1.36 0.67 0.91 0.00 0.00 19 D 6.91 4.61 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 20 G 8.96 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 21 D 8.31 5.02 0.00 2.80 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 22 T 8.36 5.14 4.37 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 1.26 0.00 0.00 23 V 8.98 4.83 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 0.74 0.00 0.00 0.95 0.00 0.00 24 K 9.20 5.11 0.00 1.71 1.78 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.44 7.81 25 L 9.26 5.24 0.00 1.59 1.49 0.23 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.09 4.82 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 27 Y 9.07 5.00 0.00 3.28 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 28 K 9.44 3.63 0.00 1.26 1.60 0.00 1.17 0.00 0.00 1.51 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.12 0.78 7.81 29 G 8.30 3.91 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 0.00 0.00 0.00 30 Q 7.89 4.55 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 31 P 0.00 4.86 0.00 2.27 2.11 0.00 3.83 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 32 M 9.14 4.95 0.00 1.76 2.16 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.52 0.00 33 T 8.45 4.86 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 34 F 9.62 5.11 0.00 2.99 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 35 R 8.93 5.00 0.00 1.85 1.73 0.00 3.35 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 0.00 36 L 8.71 4.42 0.00 1.59 1.62 0.94 1.11 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 37 L 8.79 3.95 0.00 0.88 1.30 0.22 0.31 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 38 L 8.83 4.15 0.00 2.03 1.86 1.14 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.38 5.12 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 0.79 0.00 0.00 0.98 0.00 0.00 40 D 9.13 4.98 0.00 2.82 2.46 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 41 T 8.77 4.75 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 1.25 0.00 0.00 42 P 0.00 4.50 0.00 2.18 2.06 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.03 0.00 43 E 9.12 4.21 0.00 2.11 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 2.30 0.00 44 T 8.41 4.62 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 1.20 0.00 0.00 45 K 8.55 4.33 0.00 1.84 1.84 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.46 7.81 46 H 8.24 4.32 0.00 3.13 3.16 0.00 5.69 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.06 0.00 2.03 2.08 0.00 3.39 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.03 0.00 48 K 8.14 4.24 0.00 1.77 1.86 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.43 7.81 49 K 9.98 4.38 0.00 2.03 2.02 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.23 1.17 7.81 50 G 7.44 3.74 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 0.00 0.00 0.00 51 V 8.10 4.04 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 0.78 0.00 0.00 0.92 0.00 0.00 52 E 9.17 4.36 0.00 1.99 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 53 K 8.36 4.04 0.00 1.64 1.62 0.00 1.73 0.00 0.00 1.56 0.00 0.00 2.34 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.50 1.13 7.81 54 Y 7.91 4.32 0.00 3.20 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 55 G 8.17 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 56 P 0.00 4.27 0.00 2.15 2.11 0.00 3.56 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 57 E 8.17 4.00 0.00 2.35 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 2.56 2.51 0.00 58 A 8.32 4.00 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 59 S 8.30 4.06 0.00 4.05 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 60 A 8.35 4.08 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 61 F 8.62 3.95 0.00 3.17 3.21 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 62 T 8.43 3.95 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 1.25 0.00 0.00 63 K 8.21 3.88 0.00 1.92 1.98 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.57 7.81 64 K 8.15 3.85 0.00 2.01 1.68 0.00 1.59 0.00 0.00 1.54 0.00 0.00 3.22 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.43 7.81 65 M 7.53 3.85 0.00 2.04 1.83 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 66 V 7.92 3.80 2.06 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 0.79 0.00 0.00 1.01 0.00 0.00 67 E 8.27 4.05 0.00 2.02 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 2.43 0.00 68 N 7.91 4.67 0.00 2.74 2.81 0.00 0.00 7.00 6.82 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 69 A 6.86 4.46 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 70 K 9.10 4.16 0.00 1.95 1.87 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.40 7.81 71 K 8.40 4.65 0.00 1.79 1.66 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.38 7.81 72 I 8.40 4.91 2.05 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 1.33 1.39 0.84 0.00 0.00 73 E 9.24 5.16 0.00 1.92 1.78 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 2.21 2.26 0.00 74 V 8.74 4.70 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 -0.04 0.00 0.00 0.59 0.00 0.00 75 E 8.93 5.09 0.00 2.15 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 2.49 2.36 0.00 76 F 8.79 4.57 0.00 3.06 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 D 8.43 5.04 0.00 2.70 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 K 8.76 4.42 0.00 1.83 1.89 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.46 7.81 79 G 8.24 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 0.00 0.00 0.00 0.00 80 Q 8.80 3.99 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 81 R 8.50 4.49 0.00 1.61 1.40 0.00 2.78 0.00 0.00 2.51 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.63 0.00 82 T 7.40 5.00 4.17 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 1.12 0.00 0.00 83 D 8.51 4.73 0.00 2.84 2.84 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 84 K 8.24 3.76 0.00 1.53 1.73 0.00 1.13 0.00 0.00 1.44 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.00 0.21 7.81 85 Y 7.82 4.26 0.00 3.12 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 86 G 8.24 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 0.00 0.00 0.00 87 R 8.34 4.31 0.00 2.06 1.80 0.00 3.11 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 88 G 8.50 3.36 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 0.00 89 L 8.83 5.34 0.00 1.54 1.62 0.93 0.65 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 90 A 8.35 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.69 4.78 0.00 3.03 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 92 I 8.57 4.84 1.77 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.56 0.81 0.00 0.00 93 Y 9.29 5.08 0.00 2.85 2.83 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 94 A 9.21 4.82 1.19 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 0.00 0.00 95 D 9.66 4.26 0.00 2.79 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 96 G 8.23 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 97 K 8.00 4.47 0.00 2.01 1.78 0.00 1.68 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.43 1.40 7.81 98 M 8.51 4.05 0.00 1.92 1.62 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.49 0.00 99 V 8.65 3.60 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 1.11 0.00 0.00 0.94 0.00 0.00 100 N 8.11 4.30 0.00 2.89 2.93 0.00 0.00 6.76 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 0.00 101 E 8.07 3.88 0.00 1.98 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 2.35 2.44 0.00 102 A 8.20 4.07 1.62 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 0.00 103 L 8.11 3.52 0.00 1.83 1.64 1.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.47 3.84 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 1.22 0.00 0.00 0.98 0.00 0.00 105 R 8.20 4.10 0.00 1.90 2.10 0.00 3.35 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 106 Q 7.95 4.21 0.00 1.72 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.38 0.00 0.00 0.00 0.00 0.00 2.38 1.89 0.00 107 G 8.01 3.85 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 0.00 0.00 0.00 108 L 7.86 4.50 0.00 1.28 1.50 0.41 0.63 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 0.00 109 A 7.45 4.76 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.48 4.84 0.00 1.70 1.77 0.00 1.56 0.00 0.00 1.55 0.00 0.00 2.45 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.28 1.11 7.81 111 V 8.85 4.29 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 0.76 0.00 0.00 0.96 0.00 0.00 112 A 9.10 4.27 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 7.46 3.10 0.00 3.11 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.24 3.76 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 0.80 0.00 0.00 0.94 0.00 0.00 115 Y 8.16 4.75 0.00 3.07 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 0.00 116 K 8.68 4.48 0.00 1.81 1.79 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.47 7.81 117 P 0.00 4.68 0.00 2.22 2.17 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 118 N 7.94 4.98 0.00 3.03 2.90 0.00 0.00 6.64 8.10 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 0.00 119 N 7.60 5.25 0.00 2.86 3.00 0.00 0.00 6.11 7.22 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 0.00 120 T 8.70 3.85 4.29 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 1.06 0.00 0.00 121 H 8.07 4.81 0.00 2.90 3.15 0.00 5.62 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 0.00 122 E 8.37 3.97 0.00 2.14 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 0.00 2.32 2.34 0.00 123 Q 8.01 3.93 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 124 H 8.18 4.17 0.00 3.29 3.28 0.00 5.92 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 8.06 3.87 0.00 1.74 1.70 1.03 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.40 3.96 0.00 1.87 1.93 0.00 3.11 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 126A G 8.35 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 0.00 127 K 7.76 4.33 0.00 1.84 1.90 0.00 1.77 0.00 0.00 1.98 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.50 7.81 128 S 7.97 4.04 0.00 4.00 3.85 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 0.00 129 E 8.56 3.93 0.00 2.10 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 2.13 2.55 0.00 130 A 7.79 3.78 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 0.00 131 Q 8.17 3.80 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 132 A 7.94 4.03 1.60 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 0.00 0.00 133 K 7.91 3.32 0.00 1.64 1.44 0.00 1.17 0.00 0.00 1.08 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 134 K 7.77 3.82 0.00 1.81 1.84 0.00 1.63 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.47 7.81 135 E 8.04 4.17 0.00 1.96 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 2.45 0.00 136 K 7.92 4.15 0.00 1.91 1.92 0.00 1.87 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.51 7.81 137 L 8.31 4.33 0.00 1.77 1.68 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.46 3.59 0.00 2.55 1.42 0.00 0.00 6.88 7.23 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 0.00 139 I 5.42 3.17 1.09 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 -0.36 0.51 0.00 0.00 140 W 7.81 4.86 0.00 3.48 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 0.00 141 S 8.11 4.45 0.00 4.00 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