NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6432 8.3049 120.3331 55.8101 32.5300 174.6027 2 S 4.2533 9.2540 119.5853 58.6916 63.7152 172.3827 3 G 5.2039 7.9138 106.4383 43.6367 0.0000 171.2162 4 W 5.3852 7.6487 115.3067 55.7542 32.1918 172.7954 5 Y 5.0810 9.3002 117.6370 56.3714 40.2031 175.2396 6 E 5.0575 9.0351 122.1051 54.6752 33.3233 174.4118 7 L 5.1871 9.2150 128.5350 53.9606 43.7435 175.5433 8 S 5.1592 9.3082 120.3009 56.4806 66.9236 172.5618 9 K 4.7654 8.7166 121.9731 55.3882 33.6603 176.1073 10 S 4.6707 8.8466 122.2331 56.4238 64.1564 174.7830 11 S 4.0889 8.4759 115.6859 61.1625 62.3040 174.7395 12 N 4.5632 8.0804 116.8010 52.9079 38.2390 176.2013 13 D 4.4310 8.0642 117.0846 54.4596 39.9718 174.4038 14 Q 4.0163 7.2576 118.2730 55.8678 30.1093 175.0715 15 F 5.5809 9.1402 121.9658 55.8886 41.5157 175.0735 16 K 5.1899 9.3524 122.1392 55.1683 36.1587 174.9998 17 F 5.5825 8.5291 118.2375 55.2672 41.0335 174.5715 18 V 4.8162 8.9021 114.5278 59.5436 34.8886 174.1909 19 L 4.4128 8.7662 127.9534 53.6405 43.5523 175.2088 20 K 4.6064 7.5640 125.5262 54.5642 33.8906 177.4953 21 A 3.8493 9.0363 128.5177 53.9602 18.6325 177.8331 22 G 4.5607 7.5496 110.8819 46.6265 0.0000 174.7896 23 N 4.6834 8.3728 114.8755 52.8058 37.4335 175.3342 24 G 4.1361 7.8955 107.8740 45.7104 0.0000 174.1960 25 E 3.8412 8.1209 121.6897 56.2412 29.8965 175.8048 26 V 4.1433 8.2253 126.6863 62.3971 31.7853 175.0212 27 I 4.3563 8.7211 120.8058 61.4617 40.0344 175.5421 28 L 4.8347 7.6820 121.8599 52.8141 43.8399 175.8574 29 T 4.6008 8.9684 120.0536 61.6785 71.3137 173.7400 30 S 4.3550 8.0676 123.0142 57.8708 63.7071 174.4330 31 E 4.1038 8.4477 123.5974 54.9058 30.3808 176.0296 32 L 4.0698 8.1771 121.1085 55.2150 41.6464 176.7372 33 Y 4.3790 9.2649 123.4975 57.4416 38.6799 176.8294 34 T 4.3442 8.6870 113.3426 62.6091 69.6839 175.2487 35 G 4.4536 7.8922 108.7887 42.3640 0.0000 173.6151 36 K 3.5439 8.6177 124.4827 58.8948 32.1473 178.9573 37 S 4.0822 8.1546 113.3311 61.6161 62.1744 176.4746 38 G 3.6548 8.1251 107.3429 47.5530 0.0000 175.3821 39 A 3.0235 7.3970 122.9911 54.9147 18.4784 179.6161 40 M 3.5575 8.0215 117.3707 58.5407 32.0020 178.5328 41 N 4.2795 8.2172 117.3170 56.5921 38.8791 176.9745 42 G 3.6220 7.9294 107.1894 47.7091 0.0000 175.7479 43 I 3.1355 6.9480 122.0714 64.0437 37.1483 178.4081 44 E 4.1671 7.8493 120.6124 58.6923 29.1375 179.4173 45 S 4.0511 8.2826 113.5837 61.4555 62.5201 176.2625 46 V 3.6988 8.0243 121.1301 66.2220 31.0106 177.8917 47 Q 4.0502 8.1695 117.6362 59.5083 28.3692 179.1465 48 T 3.9562 7.6307 115.0949 66.5354 68.7819 176.4414 49 N 4.5386 8.6627 118.9122 55.6153 38.3336 177.1480 50 S 4.1787 8.3564 115.5096 60.8999 62.3558 173.8709 51 P 4.4022 0.0000 0.0000 64.3131 31.8548 176.4128 52 I 4.2691 7.5028 121.4363 59.3771 36.1517 175.7944 53 E 4.1012 8.5359 125.4610 59.0032 29.6862 179.1819 54 A 3.8300 7.9878 120.0980 54.1069 18.5907 177.8902 55 R 4.2435 7.7925 114.1231 56.5371 30.6871 176.0336 56 Y 4.9215 7.5329 116.8223 56.7786 39.8157 175.7000 57 A 4.6651 9.3841 121.2068 50.9677 21.5537 174.8851 58 K 4.7745 8.8757 120.7573 56.0607 33.3907 176.1510 59 E 4.6163 8.8880 125.3191 54.2052 33.7534 174.3696 60 V 4.7139 7.9964 122.9435 60.6920 34.1166 175.2374 61 A 4.3420 9.2950 131.9077 51.8006 18.8831 178.2787 62 K 3.9967 8.6309 119.1786 59.5046 32.6199 176.9848 63 N 4.7072 8.1605 117.2223 53.3693 38.7405 173.8358 64 D 4.3376 7.9336 113.7469 54.9507 38.9035 174.6214 65 K 4.6114 7.9171 119.6439 54.3235 33.4396 174.2031 66 P 5.0540 0.0000 0.0000 62.6529 33.0733 175.1425 67 Y 5.6987 8.7562 121.7607 56.6730 42.0082 173.0618 68 F 5.4296 8.5052 111.7043 56.1838 41.1071 172.9581 69 N 5.4922 9.6810 118.1921 51.5269 42.4256 173.0838 70 L 5.1530 8.9211 122.7714 53.3770 44.8393 175.2560 71 K 5.8385 9.0718 124.9881 53.9674 34.8947 176.3080 72 A 4.3605 8.4668 126.1775 50.9147 19.9238 178.1093 73 A 3.9596 8.6175 121.4505 55.7928 17.4603 178.3218 74 N 4.5691 8.1601 111.5059 54.0128 38.7775 174.6232 75 H 3.9637 8.4136 114.9664 57.0705 28.9198 174.4736 76 Q 4.3597 7.2918 112.0777 54.5231 29.7714 175.3755 77 I 4.3858 8.1098 121.2345 60.8545 36.2628 175.2662 78 I 4.9824 7.9149 120.0966 61.2163 38.9757 176.4209 79 G 4.4038 8.0072 108.1272 44.8453 0.0000 171.8668 80 T 4.9070 7.9601 116.1492 61.9619 72.8821 173.7392 81 S 4.6093 8.5064 121.7802 57.3062 63.9614 173.0510 82 Q 4.2662 7.3468 123.2525 54.2936 29.7447 175.5149 83 M 3.8485 8.3483 120.3326 56.3099 31.2309 176.1091 84 Y 4.5057 8.8413 122.2298 56.7894 39.5202 176.1455 85 S 4.3683 8.7275 115.4000 60.7160 63.5964 175.1890 86 S 4.8224 7.6319 117.0068 55.8742 66.3832 174.8567 87 T 3.8328 8.2950 113.3613 65.0110 68.4766 176.2797 88 A 3.8828 8.0222 123.0003 54.7820 18.2917 179.0619 89 A 3.8318 8.0212 119.1349 55.2947 18.2958 179.7926 90 R 2.7256 7.3380 116.3494 59.5630 30.3059 178.6302 91 D 4.0754 7.7741 118.4253 57.2001 40.8167 178.6177 92 N 4.3780 8.4999 117.7879 55.9155 38.4811 177.5395 93 G 3.6049 8.0063 107.4128 47.9697 0.0000 175.5147 94 I 3.4394 7.6255 122.8744 63.9463 37.1750 178.5211 95 K 3.8659 7.7932 118.8667 59.6141 31.8027 179.5401 96 S 4.1104 7.9467 115.0891 61.5323 62.7860 176.7416 97 V 4.0180 8.1280 122.6224 65.8566 31.0229 177.9715 98 M 4.1497 8.1089 117.2905 58.2294 31.8261 178.2011 99 E 4.0799 7.9323 118.3403 59.2267 30.1310 178.0026 100 N 4.7620 8.5883 116.9233 54.5935 37.8233 177.1382 101 G 4.2857 8.4543 109.9818 47.5172 0.0000 173.9110 102 K 4.4894 7.9751 117.6674 56.8085 32.8852 176.3683 103 T 4.3492 8.1270 114.4447 62.3912 67.9231 174.4994 104 T 4.3210 8.2309 113.8375 61.9504 69.8252 174.9987 105 T 4.2002 7.7808 120.2735 63.9137 68.6704 172.9601 106 I 5.0439 8.2616 126.8198 59.3085 40.1076 175.1484 107 K 4.5523 9.3701 127.4762 54.8000 34.1182 174.9493 108 D 4.9092 8.7610 125.4191 53.1653 41.9165 175.6327 109 L 4.8622 9.0851 125.7175 55.1488 42.3882 177.5548 110 T 4.4059 8.3641 110.3736 64.0019 69.9325 176.2873 111 L 4.1308 8.5639 121.7236 57.0071 41.7970 177.3981 112 E 4.3082 7.8978 117.6365 55.6560 30.8957 176.3498 113 H 4.5598 8.7027 126.2615 56.0399 28.4943 176.0268 114 H 4.9016 7.5075 120.2215 54.6347 28.6952 175.7616 115 H 4.4789 7.7197 118.6859 55.8389 28.7027 174.1657 116 H 4.3551 8.6252 124.6274 58.4963 30.2493 175.0022 117 H 4.5496 7.5835 115.2528 55.1843 32.5195 172.6167 118 H 4.5022 8.0601 119.9478 55.7667 28.6972 174.9612 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 4.64 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.82 0.00 2 S 9.25 4.25 0.00 4.06 3.97 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 3 G 7.91 5.20 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 0.00 0.00 0.00 0.00 0.00 0.00 4 W 7.65 5.39 0.00 3.61 3.28 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 0.00 5 Y 9.30 5.08 0.00 3.00 2.92 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 6 E 9.04 5.06 0.00 1.97 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 2.44 2.63 0.00 7 L 9.21 5.19 0.00 1.82 1.60 1.18 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 8 S 9.31 5.16 0.00 3.94 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 9 K 8.72 4.77 0.00 1.91 1.80 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.29 1.24 7.81 10 S 8.85 4.67 0.00 3.82 3.76 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 11 S 8.48 4.09 0.00 3.98 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 12 N 8.08 4.56 0.00 2.80 2.81 0.00 0.00 7.49 8.05 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 13 D 8.06 4.43 0.00 2.73 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 14 Q 7.26 4.02 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 15 F 9.14 5.58 0.00 3.06 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 16 K 9.35 5.19 0.00 1.98 1.93 0.00 1.33 0.00 0.00 1.99 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.52 7.81 17 F 8.53 5.58 0.00 3.21 3.20 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 0.00 0.00 0.00 18 V 8.90 4.82 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 0.73 0.00 0.00 0.96 0.00 0.00 19 L 8.77 4.41 0.00 1.39 1.38 -0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.56 4.61 0.00 0.79 0.89 0.00 1.34 0.00 0.00 1.24 0.00 0.00 2.59 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.95 1.19 7.81 21 A 9.04 3.85 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 22 G 7.55 4.56 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 0.00 0.00 0.00 23 N 8.37 4.68 0.00 2.88 2.99 0.00 0.00 6.29 7.01 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 24 G 7.90 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.12 3.84 0.00 2.12 1.83 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 2.29 2.24 0.00 26 V 8.23 4.14 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 0.78 0.00 0.00 0.80 0.00 0.00 27 I 8.72 4.36 2.03 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 1.29 0.73 0.97 0.00 0.00 28 L 7.68 4.83 0.00 1.53 1.55 0.81 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.97 4.60 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 1.11 0.00 0.00 30 S 8.07 4.35 0.00 2.93 3.60 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 31 E 8.45 4.10 0.00 1.82 1.69 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 2.19 2.25 0.00 32 L 8.18 4.07 0.00 1.63 1.62 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 9.26 4.38 0.00 3.38 3.18 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 34 T 8.69 4.34 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 1.22 0.00 0.00 35 G 7.89 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.62 3.54 0.00 0.79 1.42 0.00 1.47 0.00 0.00 1.50 0.00 0.00 2.38 0.00 0.00 2.19 0.00 0.00 0.00 0.00 1.20 1.02 7.81 37 S 8.15 4.08 0.00 3.89 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 38 G 8.13 3.65 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 0.00 0.00 0.00 39 A 7.40 3.02 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 40 M 8.02 3.56 0.00 1.80 1.94 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.62 0.00 41 N 8.22 4.28 0.00 2.80 2.83 0.00 0.00 7.18 8.01 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 42 G 7.93 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 43 I 6.95 3.14 1.42 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.23 0.00 0.00 44 E 7.85 4.17 0.00 2.04 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 2.19 2.19 0.00 45 S 8.28 4.05 0.00 3.97 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 46 V 8.02 3.70 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 1.26 0.00 0.00 1.25 0.00 0.00 47 Q 8.17 4.05 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.53 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 48 T 7.63 3.96 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 1.22 0.00 0.00 49 N 8.66 4.54 0.00 2.89 2.93 0.00 0.00 6.58 7.19 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 50 S 8.36 4.18 0.00 3.98 4.14 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 0.00 0.00 0.00 0.00 51 P 0.00 4.40 0.00 2.24 2.18 0.00 3.81 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 2.09 2.00 0.00 52 I 7.50 4.27 1.89 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 1.31 1.28 0.91 0.00 0.00 53 E 8.54 4.10 0.00 2.12 2.25 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 2.47 2.37 0.00 54 A 7.99 3.83 1.21 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 0.00 0.00 55 R 7.79 4.24 0.00 2.02 2.24 0.00 3.43 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 56 Y 7.53 4.92 0.00 2.92 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 57 A 9.38 4.67 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 58 K 8.88 4.77 0.00 1.61 1.66 0.00 0.73 0.00 0.00 0.90 0.00 0.00 2.45 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.09 1.02 7.81 59 E 8.89 4.62 0.00 1.87 1.12 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 2.14 1.99 0.00 60 V 8.00 4.71 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 0.93 0.00 0.00 0.88 0.00 0.00 61 A 9.30 4.34 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 62 K 8.63 4.00 0.00 1.87 1.99 0.00 1.47 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.53 7.81 63 N 8.16 4.71 0.00 2.70 2.86 0.00 0.00 7.04 8.49 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 64 D 7.93 4.34 0.00 2.89 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 65 K 7.92 4.61 0.00 1.86 1.87 0.00 1.67 0.00 0.00 1.89 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.50 1.48 7.81 66 P 0.00 5.05 0.00 2.21 2.23 0.00 4.09 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.09 0.00 67 Y 8.76 5.70 0.00 2.93 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 68 F 8.51 5.43 0.00 3.21 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 69 N 9.68 5.49 0.00 2.77 2.88 0.00 0.00 6.65 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 70 L 8.92 5.15 0.00 1.91 1.62 1.13 0.58 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 71 K 9.07 5.84 0.00 1.76 1.65 0.00 1.50 0.00 0.00 1.30 0.00 0.00 2.66 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.19 7.81 72 A 8.47 4.36 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 73 A 8.62 3.96 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 74 N 8.16 4.57 0.00 2.84 2.82 0.00 0.00 6.92 7.92 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 75 H 8.41 3.96 0.00 3.31 3.41 0.00 5.80 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.29 4.36 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.63 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 77 I 8.11 4.39 1.85 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 1.47 0.82 0.91 0.00 0.00 78 I 7.91 4.98 2.11 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.33 1.06 0.00 0.00 79 G 8.01 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 0.00 0.00 0.00 0.00 80 T 7.96 4.91 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 1.11 0.00 0.00 81 S 8.51 4.61 0.00 2.72 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 82 Q 7.35 4.27 0.00 1.77 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.34 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 83 M 8.35 3.85 0.00 1.83 2.11 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 84 Y 8.84 4.51 0.00 3.16 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 85 S 8.73 4.37 0.00 4.02 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 86 S 7.63 4.82 0.00 4.06 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 87 T 8.29 3.83 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 88 A 8.02 3.88 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 89 A 8.02 3.83 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 90 R 7.34 2.73 0.00 1.83 2.02 0.00 3.13 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.94 0.00 91 D 7.77 4.08 0.00 2.70 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.50 4.38 0.00 2.72 2.79 0.00 0.00 7.00 7.11 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 93 G 8.01 3.60 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 0.00 94 I 7.63 3.44 1.71 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.13 0.26 0.59 0.00 0.00 95 K 7.79 3.87 0.00 1.94 1.82 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.65 7.81 96 S 7.95 4.11 0.00 4.09 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 97 V 8.13 4.02 2.30 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 1.47 0.00 0.00 1.28 0.00 0.00 98 M 8.11 4.15 0.00 2.02 2.23 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.56 0.00 99 E 7.93 4.08 0.00 2.10 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 0.00 2.39 2.33 0.00 100 N 8.59 4.76 0.00 3.00 3.11 0.00 0.00 7.08 6.65 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 0.00 101 G 8.45 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 0.00 0.00 0.00 0.00 102 K 7.98 4.49 0.00 1.92 1.96 0.00 1.60 0.00 0.00 1.66 0.00 0.00 3.18 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.66 1.46 7.81 103 T 8.13 4.35 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 1.58 0.00 0.00 104 T 8.23 4.32 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 0.00 105 T 7.78 4.20 4.44 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 1.24 0.00 0.00 106 I 8.26 5.04 1.86 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.83 0.88 0.00 0.00 107 K 9.37 4.55 0.00 1.82 1.79 0.00 1.99 0.00 0.00 1.60 0.00 0.00 2.33 0.00 0.00 2.47 0.00 0.00 0.00 0.00 1.39 1.49 7.81 108 D 8.76 4.91 0.00 2.68 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 0.00 109 L 9.09 4.86 0.00 1.71 1.89 1.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 110 T 8.36 4.41 4.62 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 1.53 0.00 0.00 111 L 8.56 4.13 0.00 1.69 1.80 0.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 112 E 7.90 4.31 0.00 2.00 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 2.31 2.31 0.00 113 H 8.70 4.56 0.00 3.14 3.18 0.00 5.76 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 H 7.51 4.90 0.00 3.21 3.25 0.00 5.75 0.00 0.00 0.00 0.00 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 H 7.72 4.48 0.00 3.01 3.21 0.00 5.73 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.63 4.36 0.00 3.19 3.34 0.00 5.82 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 0.00 117 H 7.58 4.55 0.00 2.97 3.08 0.00 5.97 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 H 8.06 4.50 0.00 3.26 3.30 0.00 5.61 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