NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4668 8.3049 120.3182 53.9858 34.5121 174.8171 2 D 4.2981 7.5135 119.4621 51.6550 45.4067 173.7744 3 S 4.4854 9.3488 119.0181 56.8602 65.0644 172.5213 4 Y 5.0884 8.2202 122.6549 56.4341 40.2876 175.3141 5 V 4.2267 8.2841 121.8719 61.7764 33.3720 174.3482 6 E 5.2507 8.8425 127.0372 54.8080 31.2519 175.4091 7 V 4.6176 8.6767 123.6063 60.9600 35.1904 174.1228 8 K 4.9049 8.7515 124.7550 54.6205 34.6897 175.6315 9 G 4.2587 8.9512 110.8095 44.3403 0.0000 171.2846 10 V 4.7647 7.9976 119.9578 60.3551 33.9584 175.1134 11 V 3.7816 8.0724 127.6851 65.0163 31.7025 176.1084 12 G 4.0357 9.2875 115.5248 45.2806 0.0000 172.9017 13 H 5.0636 8.0950 116.7789 53.1330 31.7172 172.4674 14 P 4.9045 0.0000 0.0000 62.7239 32.2842 175.7962 15 V 4.5035 8.4630 121.5285 60.2137 34.4023 174.4275 16 T 4.8398 8.3798 118.6745 61.7961 71.7606 173.8006 17 L 4.3720 8.3890 126.1728 52.0594 43.1617 173.8052 18 P 4.7314 0.0000 0.0000 62.7048 32.4217 177.0054 19 C 5.1121 9.5077 125.2267 55.9411 46.9398 172.7172 20 T 5.6277 8.6266 115.6865 60.6089 72.0425 172.3284 21 Y 4.9518 8.4857 118.7275 55.9248 41.7894 173.8293 22 S 4.4682 8.8077 116.0251 58.1503 63.4877 173.6923 23 T 4.8935 8.5313 116.4281 61.0524 68.9097 176.2062 24 Y 4.3583 8.0984 123.1706 60.0729 37.8631 177.1400 25 R 4.1335 7.6736 118.0731 55.3734 30.9446 176.6105 26 G 4.0254 8.4313 104.1728 45.1428 0.0000 173.8036 27 I 4.4531 7.8090 112.2952 60.9369 38.9501 174.4367 28 T 4.7401 8.5338 114.8486 61.3989 71.2660 172.3413 29 T 4.8466 8.4487 111.5594 61.7836 70.8455 173.9121 30 T 5.1018 8.6514 118.5390 62.1963 73.3918 170.5597 31 C 4.8549 8.3017 118.0158 53.2331 40.6850 172.7681 32 W 5.1592 8.6034 119.7848 55.2819 32.2977 174.8280 33 G 4.6552 8.9426 108.2825 45.9048 0.0000 172.4434 34 R 4.1781 7.9817 119.3306 56.3032 31.0625 177.9540 35 G 3.9562 9.1832 108.4254 45.1462 0.0000 173.4415 36 Q 4.0626 8.0230 116.9684 55.4542 29.2985 177.0009 37 C 4.2446 7.9407 116.6379 57.0484 41.2695 173.0900 38 P 4.5737 0.0000 0.0000 62.9982 31.8784 176.2830 39 S 4.5244 8.7680 109.2181 59.5023 64.2430 174.5717 40 S 4.7417 7.7242 113.3933 57.0618 65.1318 174.5878 41 A 3.5868 8.4659 128.8498 53.1902 17.4465 176.0829 42 C 4.8203 8.4926 110.1299 55.4605 37.2455 173.1572 43 Q 4.3719 8.3979 124.2628 56.3753 30.2630 175.1244 44 N 4.3976 8.6988 120.3808 54.0593 36.3265 174.3983 45 T 4.0653 7.7239 111.5028 64.3136 69.4908 173.8569 46 L 4.6513 9.3367 124.9527 55.6166 44.7424 176.5551 47 I 5.7930 7.5114 116.7159 58.8724 42.2403 174.4970 48 W 5.7125 8.8849 123.1612 55.5498 33.4397 174.0804 49 T 5.2664 9.3814 114.3661 59.8784 71.2169 173.5199 50 N 4.8076 8.4360 119.0354 52.6859 37.7769 174.6213 51 G 4.8465 8.3604 110.6224 44.3325 0.0000 174.7268 52 H 4.9958 7.9370 111.6229 54.8407 30.6078 173.2590 53 R 4.6370 8.1492 115.7088 54.6958 32.2304 174.3643 54 V 4.2417 8.3772 119.8203 63.4162 31.9540 175.6824 55 T 4.6930 9.0795 116.5452 61.8413 71.0184 173.7045 56 Y 4.8225 7.9647 123.4613 56.0988 41.7976 173.4210 57 Q 4.1222 7.7707 126.5485 54.0931 31.3688 174.7662 58 K 4.0039 8.5612 129.9483 59.2856 33.0043 176.9698 59 S 4.6901 7.9172 109.6889 56.4991 65.4951 174.8297 60 S 4.2492 8.5416 120.1024 60.6619 62.9825 175.3426 61 R 3.8701 7.5815 120.0924 57.4597 30.0542 174.9740 62 Y 5.0621 7.5282 116.6424 56.3389 39.4034 175.0663 63 N 5.0069 8.9752 120.8741 51.6152 43.8229 173.9257 64 L 5.3430 8.3732 121.5060 52.5652 42.0613 176.5081 65 K 4.1040 8.6705 123.7539 57.8054 32.7070 178.0582 66 G 3.9097 7.7338 107.0575 44.9459 0.0000 173.7487 67 H 4.6220 8.4502 115.6239 54.8465 27.3697 176.3847 68 I 4.0381 8.5618 126.5852 63.7452 37.1424 177.7808 69 S 4.4761 8.0998 112.2241 60.7359 62.8391 175.2683 70 E 4.2510 7.9201 121.3118 57.1810 29.8328 176.2040 71 G 3.1567 7.3646 105.6199 45.5877 0.0000 173.0883 72 D 5.0465 8.0240 121.2799 53.2658 40.1729 176.5702 73 V 4.4546 8.0675 124.6648 60.7724 31.6649 176.7069 74 S 4.7025 8.3411 116.8718 58.5704 64.3648 174.2009 75 L 4.2269 7.9877 126.3364 54.2546 43.3668 175.2529 76 T 4.8011 8.8102 122.7579 61.7543 71.8744 172.8995 77 I 4.5819 8.3819 128.0589 59.5027 38.6262 175.4750 78 E 4.0032 9.0210 127.6625 57.3776 30.1787 178.3717 79 N 3.8898 8.3781 113.4318 54.8671 35.1861 174.3382 80 S 4.5635 8.2188 120.2388 58.1430 64.5831 174.6876 81 V 4.7423 9.0865 113.8490 59.6574 35.9700 175.8785 82 E 4.3879 8.9171 120.1301 59.4294 29.2617 179.6690 83 S 4.4095 7.9969 111.1169 59.9381 62.8827 174.3693 84 D 4.7540 8.3970 120.3587 55.1916 41.2175 177.3030 85 S 4.4227 7.8545 115.8024 58.6017 63.4783 174.7772 86 G 4.0175 8.0202 110.0539 44.1596 0.0000 171.5862 87 L 5.1299 7.8460 119.4696 54.0224 43.4072 175.8456 88 Y 5.0739 9.1808 119.8247 56.3600 42.4930 173.4611 89 C 5.5199 9.9145 123.1391 54.9204 47.8597 171.7037 90 C 4.2905 9.0817 126.2019 54.4745 40.0725 172.2112 91 R 4.9075 8.0530 127.2138 54.3046 32.6755 174.4614 92 V 4.1370 8.6063 126.6356 61.0034 33.4932 174.7133 93 E 5.0675 8.8031 129.2914 55.9206 27.1808 177.1318 94 I 4.1660 7.6774 117.3142 58.2324 39.6743 174.6217 95 P 4.1985 0.0000 0.0000 63.9258 31.5901 175.7032 96 G 4.1886 8.6937 108.1253 43.4869 0.0000 173.4651 97 W 4.2494 8.9073 131.9458 57.3923 31.3171 176.3756 98 F 3.7504 8.1357 130.1991 59.7621 36.9051 174.2121 99 N 4.9548 7.3650 111.6222 53.0775 39.8147 173.5286 100 D 4.4974 7.7764 115.9892 54.1325 42.5281 175.8689 101 Q 4.3461 8.7794 124.5939 55.5479 29.6582 174.4645 102 K 4.9419 8.3962 125.8737 54.6174 35.0929 176.3906 103 V 4.1447 8.3725 122.8503 61.7788 34.9380 173.7485 104 T 4.9494 8.3353 124.7145 62.1911 70.4765 173.9476 105 F 5.2828 10.1032 125.3748 55.9082 42.9430 174.7705 106 S 4.8730 9.3215 116.0276 56.5282 63.8992 171.7590 107 L 4.9669 9.2255 129.0405 53.8058 44.1192 175.0627 108 Q 4.6989 8.7389 126.2923 54.6868 32.1957 173.5388 109 V 4.8060 9.0775 128.3082 61.3060 33.4302 174.7598 110 K 4.8490 8.3963 126.4065 53.5267 36.2210 174.3285 111 P 4.5481 0.0000 0.0000 62.7723 31.8287 176.7502 112 E 4.0995 8.6251 121.8232 58.2587 30.0161 176.8100 113 L 4.5850 7.5406 118.8619 53.1857 45.0703 175.2797 114 V 4.2252 8.0695 124.3191 60.2179 32.7833 172.7466 115 P 4.2237 0.0000 0.0000 61.7856 32.2192 176.5867 116 R 4.0527 8.5652 119.2821 56.9548 29.8698 176.3291 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 4.47 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 2 D 7.51 4.30 0.00 2.42 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 0.00 0.00 0.00 3 S 9.35 4.49 0.00 3.89 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 4 Y 8.22 5.09 0.00 2.81 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 5 V 8.28 4.23 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 1.18 0.00 0.00 0.69 0.00 0.00 6 E 8.84 5.25 0.00 1.94 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 2.34 2.37 0.00 7 V 8.68 4.62 2.12 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 1.03 0.00 0.00 1.09 0.00 0.00 8 K 8.75 4.90 0.00 1.64 1.67 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.36 7.81 9 G 8.95 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 0.00 0.00 0.00 10 V 8.00 4.76 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 0.71 0.00 0.00 0.85 0.00 0.00 11 V 8.07 3.78 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 1.03 0.00 0.00 12 G 9.29 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 13 H 8.09 5.06 0.00 3.22 3.19 0.00 5.81 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.90 0.00 2.01 1.98 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 15 V 8.46 4.50 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 0.78 0.00 0.00 0.83 0.00 0.00 16 T 8.38 4.84 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 1.13 0.00 0.00 17 L 8.39 4.37 0.00 0.74 0.46 -0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.73 0.00 2.09 2.08 0.00 3.88 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 2.10 2.12 0.00 19 C 9.51 5.11 0.00 3.41 3.41 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 20 T 8.63 5.63 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 1.27 0.00 0.00 21 Y 8.49 4.95 0.00 3.13 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 22 S 8.81 4.47 0.00 3.81 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 23 T 8.53 4.89 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 1.05 0.00 0.00 24 Y 8.10 4.36 0.00 3.12 3.07 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 0.00 0.00 0.00 25 R 7.67 4.13 0.00 1.24 1.64 0.00 3.14 0.00 0.00 2.92 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.86 0.00 26 G 8.43 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 7.81 4.45 2.06 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.75 1.03 0.00 0.00 28 T 8.53 4.74 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 0.89 0.00 0.00 29 T 8.45 4.85 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 30 T 8.65 5.10 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 1.06 0.00 0.00 31 C 8.30 4.85 0.00 1.63 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 32 W 8.60 5.16 0.00 3.15 2.98 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 33 G 8.94 4.66 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 34 R 7.98 4.18 0.00 1.62 1.61 0.00 3.04 0.00 0.00 2.44 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.61 0.00 35 G 9.18 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 36 Q 8.02 4.06 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 37 C 7.94 4.24 0.00 2.97 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 38 P 0.00 4.57 0.00 2.19 1.99 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 1.93 0.00 39 S 8.77 4.52 0.00 4.25 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 7.72 4.74 0.00 3.89 3.78 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 41 A 8.47 3.59 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 42 C 8.49 4.82 0.00 2.74 2.86 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 43 Q 8.40 4.37 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.36 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 44 N 8.70 4.40 0.00 3.06 2.79 0.00 0.00 7.07 7.05 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 45 T 7.72 4.07 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 1.34 0.00 0.00 46 L 9.34 4.65 0.00 1.30 0.93 0.55 0.49 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 47 I 7.51 5.79 2.11 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.69 1.08 0.00 0.00 48 W 8.88 5.71 0.00 3.47 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 9.38 5.27 4.36 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 1.42 0.00 0.00 50 N 8.44 4.81 0.00 2.87 2.94 0.00 0.00 7.12 6.29 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 51 G 8.36 4.85 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 52 H 7.94 5.00 0.00 3.25 3.43 0.00 5.76 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.15 4.64 0.00 2.02 2.08 0.00 2.81 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 54 V 8.38 4.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.00 0.00 0.00 55 T 9.08 4.69 4.32 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 1.31 0.00 0.00 56 Y 7.96 4.82 0.00 3.23 3.13 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 0.00 57 Q 7.77 4.12 0.00 2.03 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.65 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 58 K 8.56 4.00 0.00 2.01 1.89 0.00 1.87 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.54 1.58 7.81 59 S 7.92 4.69 0.00 3.97 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 60 S 8.54 4.25 0.00 3.97 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 61 R 7.58 3.87 0.00 1.20 1.53 0.00 3.06 0.00 0.00 3.03 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.40 0.00 62 Y 7.53 5.06 0.00 2.90 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 63 N 8.98 5.01 0.00 2.53 2.59 0.00 0.00 6.40 6.22 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 64 L 8.37 5.34 0.00 1.52 1.68 0.85 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.67 4.10 0.00 1.70 1.85 0.00 1.59 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.47 7.81 66 G 7.73 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 67 H 8.45 4.62 0.00 3.20 3.26 0.00 5.65 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 8.56 4.04 1.95 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 1.42 1.32 1.00 0.00 0.00 69 S 8.10 4.48 0.00 4.07 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 70 E 7.92 4.25 0.00 2.25 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 2.36 2.52 0.00 71 G 7.36 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.02 5.05 0.00 2.68 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 73 V 8.07 4.45 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 0.97 0.00 0.00 1.16 0.00 0.00 74 S 8.34 4.70 0.00 3.86 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 75 L 7.99 4.23 0.00 0.27 0.13 0.50 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.81 4.80 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 1.15 0.00 0.00 77 I 8.38 4.58 1.71 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.73 0.72 0.00 0.00 78 E 9.02 4.00 0.00 1.69 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 2.35 2.34 0.00 79 N 8.38 3.89 0.00 2.69 3.04 0.00 0.00 6.99 7.57 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 80 S 8.22 4.56 0.00 3.99 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 81 V 9.09 4.74 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 0.69 0.00 0.00 1.00 0.00 0.00 82 E 8.92 4.39 0.00 2.08 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 2.42 2.40 0.00 83 S 8.00 4.41 0.00 3.88 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 84 D 8.40 4.75 0.00 2.76 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 85 S 7.85 4.42 0.00 3.98 3.92 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 0.00 0.00 0.00 86 G 8.02 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 0.00 0.00 0.00 87 L 7.85 5.13 0.00 1.48 1.41 0.80 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 9.18 5.07 0.00 3.06 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 89 C 9.91 5.52 0.00 3.05 2.86 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 90 C 9.08 4.29 0.00 1.23 2.57 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 91 R 8.05 4.91 0.00 1.69 1.44 0.00 2.94 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.35 0.00 92 V 8.61 4.14 1.85 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 0.18 0.00 0.00 0.72 0.00 0.00 93 E 8.80 5.07 0.00 1.92 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 2.61 2.12 0.00 94 I 7.68 4.17 1.87 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 1.50 0.56 0.88 0.00 0.00 95 P 0.00 4.20 0.00 2.06 2.06 0.00 3.66 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 1.99 2.10 0.00 96 G 8.69 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 97 W 8.91 4.25 0.00 3.41 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 F 8.14 3.75 0.00 2.42 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 99 N 7.37 4.95 0.00 2.81 2.71 0.00 0.00 7.31 8.47 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 0.00 100 D 7.78 4.50 0.00 2.47 2.40 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 0.00 101 Q 8.78 4.35 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 102 K 8.40 4.94 0.00 1.54 1.55 0.00 1.62 0.00 0.00 1.44 0.00 0.00 2.72 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.17 1.42 7.81 103 V 8.37 4.14 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 0.37 0.00 0.00 0.81 0.00 0.00 104 T 8.34 4.95 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 0.73 0.00 0.00 105 F 10.10 5.28 0.00 2.96 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 S 9.32 4.87 0.00 3.93 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 0.00 107 L 9.23 4.97 0.00 1.79 1.71 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 108 Q 8.74 4.70 0.00 2.11 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.55 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 109 V 9.08 4.81 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 0.95 0.00 0.00 0.93 0.00 0.00 110 K 8.40 4.85 0.00 1.66 1.64 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.39 7.81 111 P 0.00 4.55 0.00 2.04 1.98 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.23 0.00 112 E 8.63 4.10 0.00 1.88 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 2.28 2.26 0.00 113 L 7.54 4.59 0.00 1.58 1.46 0.92 0.83 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 0.00 114 V 8.07 4.23 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 0.90 0.00 0.00 0.93 0.00 0.00 115 P 0.00 4.22 0.00 2.07 2.01 0.00 3.75 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 2.04 2.12 0.00 116 R 8.57 4.05 0.00 1.76 1.83 0.00 3.27 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00