NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.6219 8.3501 109.7166 45.2790 0.0000 174.1717 2 A 4.9834 7.9741 117.9806 50.8263 21.8485 175.0110 3 M 5.0588 9.8383 119.4964 57.5894 33.7989 172.9038 4 D 5.0053 9.6095 114.5703 55.5002 47.3800 175.4590 5 P 4.3637 0.0000 0.0000 64.8160 31.3343 176.6494 6 E 4.6460 8.0226 112.1781 55.7483 31.2926 176.9754 7 F 4.1536 8.4397 121.7776 60.2723 39.8602 176.3994 8 N 4.5566 7.8526 112.7520 51.5556 38.3468 175.3291 9 K 3.9489 8.3690 120.1910 57.5443 32.4224 176.3845 10 A 4.4573 8.4533 129.8405 51.6684 17.6061 173.9735 11 I 4.5429 8.1093 120.6161 59.9440 39.8054 174.5687 12 F 4.8397 8.8474 126.5515 56.0083 41.5559 174.6862 13 T 4.8088 8.4432 121.5231 62.5181 70.0503 174.9383 14 V 4.8907 8.7729 118.9397 59.8529 37.0313 173.8183 15 D 4.9920 9.0311 121.0561 53.8997 42.1269 176.7987 16 A 3.9705 8.4157 124.6916 53.9379 19.1459 178.7505 17 K 3.9413 8.8468 116.5642 58.5346 32.6690 177.0379 18 T 4.4749 8.5142 112.3455 61.4586 70.1181 175.8753 19 T 3.9551 8.0673 119.4195 65.1256 64.9831 172.0505 20 E 3.9103 9.4617 135.0000 56.6437 27.5716 171.8349 21 I 3.8926 8.4487 125.8272 61.4883 37.1410 177.0305 22 L 4.0907 8.5732 126.9851 57.0908 42.0407 178.0461 23 V 4.5007 7.2405 108.6609 60.2725 35.8889 173.3198 24 A 4.7012 7.9531 122.8441 50.3537 22.0723 175.7926 25 N 4.6947 7.7183 118.1593 51.7108 38.2224 175.7895 26 D 4.5477 8.4202 116.4601 56.0201 40.6856 178.1111 27 K 4.0086 7.7931 119.1986 58.1919 32.2722 177.9868 28 A 4.0785 7.8723 120.7316 55.6941 18.4821 179.2707 29 C 4.1749 7.9382 112.7602 61.7235 29.2287 176.3547 30 G 3.6724 7.3231 107.5140 47.2118 0.0000 174.8052 31 L 4.2010 7.7041 122.0806 58.7109 42.1623 178.2007 32 L 4.5632 8.2636 117.7580 54.5898 40.8233 177.1482 33 G 5.0684 7.2210 124.0028 45.7833 0.0000 172.3821 34 Y 4.5006 7.7370 118.9438 57.1428 38.1519 175.2820 35 S 4.7811 8.4415 122.1537 58.8868 63.0548 178.2546 36 S 4.2118 8.0801 115.5379 61.0590 62.3330 175.7845 37 Q 3.8763 7.9724 115.4786 55.9889 29.0699 175.2900 38 D 4.8979 8.3721 118.0090 54.1211 42.3426 176.4739 39 L 4.8813 7.7302 117.0821 54.8481 41.8676 176.2389 40 I 4.1229 6.5439 118.1774 61.9669 38.4073 175.2888 41 G 4.1085 9.1348 114.5211 45.2510 0.0000 172.9704 42 Q 4.7629 7.5165 118.1474 54.1540 31.4243 173.5977 43 K 4.7004 8.0365 117.2062 54.7948 35.1888 176.6404 44 L 3.4336 8.6874 124.5203 58.9405 40.4025 179.5497 45 T 3.7584 7.4511 108.8617 63.7046 68.8158 175.6553 46 Q 3.6988 7.4264 123.7081 57.9884 29.0804 176.6657 47 F 4.7908 6.2849 116.7388 56.4366 39.4884 175.3690 48 F 4.8453 7.7405 117.0569 57.1101 42.9072 176.8452 49 L 3.2938 8.7213 117.1960 57.2308 38.0638 170.6330 50 R 3.7171 8.1518 135.0000 56.1603 29.9358 176.5297 51 S 4.3930 8.4839 118.2925 58.2469 63.2207 174.6004 52 D 4.4928 7.3366 121.2892 55.5653 41.5447 178.0537 53 S 4.4077 7.6298 113.1933 61.0893 64.1075 176.2416 54 D 4.3576 7.8730 123.1271 56.5018 40.8535 179.7467 55 V 3.3889 7.2392 119.3756 64.8908 31.1624 178.5728 56 V 3.7221 7.8564 117.4802 64.3792 31.5166 177.4079 57 E 4.1760 7.8022 117.7443 59.1225 29.6543 178.2746 58 A 3.9913 8.1080 120.6356 54.7118 18.1582 178.7477 59 L 4.2962 7.2345 114.3908 55.9687 42.6914 177.9714 60 S 4.7778 8.4411 120.2264 57.3483 61.6664 177.1004 61 E 3.8027 8.8345 119.4319 57.2992 29.7627 177.5725 62 E 3.9074 8.0611 117.7436 57.7889 29.9326 172.2691 63 H 3.9347 8.6307 111.0528 57.3577 29.2143 175.1248 64 M 4.1465 8.6852 116.0574 56.8115 32.1981 176.6132 65 E 4.1794 8.1438 121.7799 56.3956 28.9223 175.1544 66 A 4.3780 7.7396 116.6313 50.7467 19.5934 173.5207 67 D 4.1538 9.2051 120.2221 56.7927 38.9974 173.1000 68 G 3.9063 9.1203 115.1633 46.1684 0.0000 170.6807 69 H 4.8980 8.0546 114.3708 53.7146 32.4425 173.1262 70 A 4.6971 8.3673 118.9655 52.0924 19.4817 177.5215 71 A 4.0719 8.1407 121.8164 55.6548 18.8054 179.3118 72 V 4.3903 7.5170 112.2895 59.3535 34.0641 175.7944 73 V 4.7902 8.1542 122.9687 59.0830 34.4971 176.0193 74 F 4.8837 8.2333 123.7295 55.3785 39.3905 173.4062 75 G 4.0514 7.5232 106.2942 45.1032 0.0000 170.4803 76 T 4.6491 7.0022 115.7153 61.3761 73.7655 173.0041 77 V 4.4215 8.3866 122.0880 63.5630 31.5098 175.0064 78 V 4.5542 8.1563 120.3659 59.2496 34.9233 174.4725 79 D 5.0308 8.5937 121.3884 53.7335 41.7474 176.5895 80 I 4.9921 8.2305 117.9446 59.4088 40.8208 174.5562 81 I 5.1183 8.1703 115.1977 59.2977 40.1901 175.3353 82 S 4.7315 8.7104 120.8742 56.6774 64.9750 174.9191 83 R 3.9721 8.9893 116.7150 59.0483 28.7716 177.6661 84 S 4.2158 8.0657 111.4847 57.9237 63.8166 172.4782 85 G 3.8431 8.9224 112.5312 46.0768 0.0000 172.7725 86 E 4.4873 8.4120 122.5140 54.5738 32.5477 176.2054 87 K 4.6720 7.6822 117.0434 56.7733 31.3789 174.3076 88 I 4.5009 7.1100 120.8081 59.7005 39.9784 175.2805 89 P 4.7312 0.0000 0.0000 62.9208 32.5527 175.8797 90 V 4.7396 8.9423 116.5968 60.2701 37.2463 173.6398 91 S 4.9917 9.0420 118.3775 57.4507 64.4410 173.8758 92 V 4.4338 7.9749 123.9265 60.5198 33.9341 174.9238 93 W 4.9590 7.4890 122.1938 55.2720 30.8324 173.3413 94 M 5.3581 8.7355 125.0558 53.3076 33.3517 175.1270 95 K 4.5852 8.1947 122.3233 55.8809 36.1359 174.9285 96 R 4.8017 8.7576 122.5628 56.3729 29.9900 175.8544 97 M 4.5513 8.9143 121.1242 54.0127 32.3781 177.2478 98 R 4.0941 8.0821 119.3443 55.7970 29.4252 174.2563 99 Q 4.5889 8.2324 116.2832 57.1955 33.3685 173.0452 100 E 4.7647 7.4879 116.0086 56.8500 36.3983 175.4629 101 R 4.6709 7.7497 116.5796 56.4192 33.6633 174.9453 102 R 4.5251 7.6932 118.1009 53.8627 33.3570 173.3726 103 L 4.3134 8.6080 124.2423 55.7272 42.8178 175.5636 104 C 4.9000 8.6562 120.0988 56.8587 31.7159 172.2895 105 C 4.7743 9.1104 125.9178 58.7522 32.4300 172.1866 106 V 4.9483 8.7859 126.2976 61.0805 34.5092 174.2445 107 V 4.6766 8.4024 125.8320 59.8722 33.3084 174.1166 108 V 4.9460 7.1301 126.9736 60.2068 33.5768 173.9528 109 L 5.2633 8.2507 128.5880 53.0252 42.8173 175.8638 110 E 4.6472 8.6066 125.0992 53.4461 32.1491 173.1665 111 P 4.6424 0.0000 0.0000 63.0681 31.9244 176.7843 112 V 3.6649 8.3605 117.8509 62.0241 32.7108 176.3402 113 E 4.3682 8.9869 122.6412 57.2119 27.2721 174.8779 114 R 4.1652 7.5140 122.5758 56.5115 31.1568 175.1742 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 G 8.35 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 2 A 7.97 4.98 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 M 9.84 5.06 0.00 2.02 1.62 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 2.53 2.60 0.00 4 D 9.61 5.01 0.00 2.86 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 5 P 0.00 4.36 0.00 2.08 2.20 0.00 3.70 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 6 E 8.02 4.65 0.00 2.00 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 2.20 2.31 0.00 7 F 8.44 4.15 0.00 3.15 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 8 N 7.85 4.56 0.00 2.88 2.93 0.00 0.00 7.12 6.57 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 9 K 8.37 3.95 0.00 1.97 1.82 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.47 1.58 7.81 10 A 8.45 4.46 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 11 I 8.11 4.54 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.99 0.89 0.00 0.00 12 F 8.85 4.84 0.00 3.22 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 13 T 8.44 4.81 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 1.24 0.00 0.00 14 V 8.77 4.89 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 0.92 0.00 0.00 1.04 0.00 0.00 15 D 9.03 4.99 0.00 2.79 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.42 3.97 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 17 K 8.85 3.94 0.00 1.73 1.95 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.43 7.81 18 T 8.51 4.47 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 1.26 0.00 0.00 19 T 8.07 3.96 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 1.21 0.00 0.00 20 E 9.46 3.91 0.00 2.07 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 2.34 2.27 0.00 21 I 8.45 3.89 2.06 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.71 1.36 0.00 0.00 22 L 8.57 4.09 0.00 1.64 1.72 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.24 4.50 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 0.91 0.00 0.00 0.91 0.00 0.00 24 A 7.95 4.70 0.67 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 25 N 7.72 4.69 0.00 2.89 2.92 0.00 0.00 7.09 8.24 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 26 D 8.42 4.55 0.00 2.69 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.79 4.01 0.00 1.96 1.76 0.00 1.77 0.00 0.00 1.98 0.00 0.00 3.20 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.45 7.81 28 A 7.87 4.08 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 7.94 4.17 0.00 3.29 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 30 G 7.32 3.67 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 0.00 31 L 7.70 4.20 0.00 1.78 2.15 1.18 1.07 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 32 L 8.26 4.56 0.00 2.08 1.75 1.30 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.22 5.07 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 0.00 0.00 0.00 34 Y 7.74 4.50 0.00 2.78 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 35 S 8.44 4.78 0.00 4.01 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 36 S 8.08 4.21 0.00 4.00 4.43 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 37 Q 7.97 3.88 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.85 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 38 D 8.37 4.90 0.00 2.64 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 39 L 7.73 4.88 0.00 1.84 1.84 1.17 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 40 I 6.54 4.12 2.23 0.00 0.00 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 1.50 2.04 0.96 0.00 0.00 41 G 9.13 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 42 Q 7.52 4.76 0.00 2.39 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.56 6.98 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 43 K 8.04 4.70 0.00 1.56 1.45 0.00 1.54 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.37 7.81 44 L 8.69 3.43 0.00 1.95 1.51 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.45 3.76 3.77 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 0.41 0.00 0.00 46 Q 7.43 3.70 0.00 1.59 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.93 0.00 0.00 0.00 0.00 0.00 2.29 2.16 0.00 47 F 6.28 4.79 0.00 2.12 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 48 F 7.74 4.85 0.00 2.73 2.79 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 49 L 8.72 3.29 0.00 1.84 2.32 1.11 0.87 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 50 R 8.15 3.72 0.00 2.08 2.02 0.00 3.45 0.00 0.00 3.38 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 51 S 8.48 4.39 0.00 3.98 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 7.34 4.49 0.00 2.67 2.63 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 53 S 7.63 4.41 0.00 4.20 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 54 D 7.87 4.36 0.00 3.06 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 55 V 7.24 3.39 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 0.77 0.00 0.00 0.74 0.00 0.00 56 V 7.86 3.72 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 0.90 0.00 0.00 0.91 0.00 0.00 57 E 7.80 4.18 0.00 1.98 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 0.00 2.50 2.27 0.00 58 A 8.11 3.99 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 59 L 7.23 4.30 0.00 1.64 1.67 0.81 0.74 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 60 S 8.44 4.78 0.00 3.96 3.58 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 61 E 8.83 3.80 0.00 1.89 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 0.00 2.34 2.44 0.00 62 E 8.06 3.91 0.00 2.28 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 2.22 2.39 0.00 63 H 8.63 3.93 0.00 3.42 3.40 0.00 5.52 0.00 0.00 0.00 0.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 M 8.69 4.15 0.00 2.27 2.38 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.57 0.00 65 E 8.14 4.18 0.00 2.11 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 2.32 2.35 0.00 66 A 7.74 4.38 1.16 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 67 D 9.21 4.15 0.00 2.83 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 68 G 9.12 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 69 H 8.05 4.90 0.00 3.12 3.22 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 A 8.37 4.70 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.14 4.07 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 72 V 7.52 4.39 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 0.85 0.00 0.00 0.92 0.00 0.00 73 V 8.15 4.79 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 1.12 0.00 0.00 0.96 0.00 0.00 74 F 8.23 4.88 0.00 2.81 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 75 G 7.52 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 76 T 7.00 4.65 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 77 V 8.39 4.42 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 0.75 0.00 0.00 0.96 0.00 0.00 78 V 8.16 4.55 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 0.87 0.00 0.00 0.99 0.00 0.00 79 D 8.59 5.03 0.00 2.71 2.66 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 80 I 8.23 4.99 2.48 0.00 0.00 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 1.55 1.00 1.02 0.00 0.00 81 I 8.17 5.12 1.91 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 1.49 0.76 0.97 0.00 0.00 82 S 8.71 4.73 0.00 4.00 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 83 R 8.99 3.97 0.00 1.83 2.18 0.00 2.21 0.00 0.00 3.02 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 84 S 8.07 4.22 0.00 4.02 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 85 G 8.92 3.84 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 0.00 0.00 0.00 86 E 8.41 4.49 0.00 1.95 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 0.00 2.23 2.25 0.00 87 K 7.68 4.67 0.00 1.97 2.04 0.00 1.20 0.00 0.00 2.38 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.37 7.81 88 I 7.11 4.50 1.93 0.00 0.00 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 1.37 1.17 0.95 0.00 0.00 89 P 0.00 4.73 0.00 2.09 2.14 0.00 3.59 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 90 V 8.94 4.74 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 0.86 0.00 0.00 1.00 0.00 0.00 91 S 9.04 4.99 0.00 3.98 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 92 V 7.97 4.43 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 -0.58 0.00 0.00 0.51 0.00 0.00 93 W 7.49 4.96 0.00 3.39 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 M 8.74 5.36 0.00 2.04 1.85 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 95 K 8.19 4.59 0.00 1.85 1.91 0.00 1.75 0.00 0.00 2.24 0.00 0.00 3.19 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.50 7.81 96 R 8.76 4.80 0.00 1.75 1.97 0.00 3.17 0.00 0.00 3.30 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 97 M 8.91 4.55 0.00 2.01 2.16 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 2.51 2.51 0.00 98 R 8.08 4.09 0.00 1.99 2.02 0.00 3.31 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 99 Q 8.23 4.59 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.87 0.00 0.00 0.00 0.00 0.00 2.19 2.38 0.00 100 E 7.49 4.76 0.00 1.93 1.75 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 2.22 2.40 0.00 101 R 7.75 4.67 0.00 1.74 1.87 0.00 3.16 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 102 R 7.69 4.53 0.00 1.78 1.71 0.00 3.21 0.00 0.00 3.63 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 103 L 8.61 4.31 0.00 1.66 1.66 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 104 C 8.66 4.90 0.00 3.07 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 0.00 105 C 9.11 4.77 0.00 3.17 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 0.00 106 V 8.79 4.95 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 1.08 0.00 0.00 0.96 0.00 0.00 107 V 8.40 4.68 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 0.92 0.00 0.00 0.65 0.00 0.00 108 V 7.13 4.95 0.67 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 0.85 0.00 0.00 0.27 0.00 0.00 109 L 8.25 5.26 0.00 1.62 1.56 1.31 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 110 E 8.61 4.65 0.00 2.23 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 2.33 2.44 0.00 111 P 0.00 4.64 0.00 1.98 2.01 0.00 3.76 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.17 0.00 112 V 8.36 3.66 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 0.76 0.00 0.00 0.98 0.00 0.00 113 E 8.99 4.37 0.00 2.09 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 2.22 2.31 0.00 114 R 7.51 4.17 0.00 1.85 1.72 0.00 3.20 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 1.51 1.52 0.00