NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4543 8.1933 116.7951 58.6660 64.2972 174.6884 2 N 4.4303 8.0224 116.8860 53.7200 39.1333 175.3962 3 I 4.1529 8.3465 119.5643 61.9181 40.2772 175.2833 4 I 4.3079 7.0839 119.4801 61.3745 37.0237 176.3813 5 K 4.4821 7.5604 120.2505 56.7353 35.8305 177.2810 6 Q 3.9233 8.2199 119.3462 59.4375 28.6341 178.9214 7 L 3.8973 7.5191 120.4085 57.6223 42.3435 178.5011 8 E 4.0732 7.9054 118.5301 59.3326 29.8691 178.6514 9 Q 4.1744 8.2353 116.1901 57.5719 28.6974 177.1251 10 E 4.1642 7.6212 120.9684 58.2661 29.6907 176.5955 11 Q 4.4865 7.8579 115.0418 55.8234 30.3979 174.8766 12 M 4.1457 7.6962 119.3103 53.9078 32.0248 176.5663 13 K 4.3413 8.5070 123.3929 57.0043 33.6255 176.4010 14 Q 4.6332 8.3875 114.4894 55.7943 29.8956 176.1261 15 D 4.6783 8.0760 118.8396 54.8204 42.2722 177.1971 16 V 3.6881 7.6625 119.3755 62.1878 31.8273 173.9795 17 P 4.5782 0.0000 0.0000 61.1212 32.4532 175.7790 18 S 4.3592 8.3404 114.2272 58.1279 61.9179 173.9814 19 F 3.8295 8.4662 126.1275 55.9573 39.0797 171.3565 20 R 3.8850 8.1323 127.8857 54.7800 30.6362 173.3927 21 P 4.4103 0.0000 0.0000 66.7563 31.0136 174.5021 22 G 3.7106 8.1404 113.2887 45.3676 0.0000 172.4463 23 D 5.2080 7.7220 122.9526 53.5811 41.6006 177.2431 24 T 5.1308 8.1336 107.5947 61.3564 70.3676 175.8143 25 V 3.1346 7.2606 108.6774 60.9396 28.0839 173.3904 26 E 4.2717 8.2374 130.8085 56.0745 30.8200 175.5507 27 V 4.0801 8.5393 127.0391 60.7296 33.1255 174.8528 28 K 5.0328 7.9212 125.3204 55.9163 32.8565 177.4035 29 V 5.1078 8.1976 116.4994 57.9077 35.7781 175.3143 30 W 5.7649 9.1582 124.3246 57.1030 29.2711 176.0767 31 V 4.3115 8.4395 117.6610 61.0439 33.7028 176.1808 32 V 3.2351 8.0944 114.2805 61.9609 28.7529 172.2408 33 E 3.8287 8.5508 126.6091 59.6599 30.3714 177.3943 34 G 4.2843 7.7173 106.4856 46.2748 0.0000 173.2429 35 S 4.6203 8.0459 111.8191 56.9527 65.5901 173.6766 36 K 4.6123 7.8528 119.7771 54.8354 34.8946 176.1204 37 K 4.7720 8.5181 123.7998 55.6313 33.9533 175.5774 38 R 4.3533 7.8017 117.1014 56.4814 31.8557 172.7419 39 L 5.3216 8.6547 118.7888 53.7175 43.7990 176.2606 40 Q 4.7232 8.8134 121.5043 54.1610 32.5417 174.6749 41 A 4.5012 8.8173 127.0479 52.4556 19.9449 177.2816 42 F 4.2491 8.4052 115.8146 58.1070 41.5281 171.3821 43 E 4.8780 8.7773 125.2829 54.4229 28.6818 176.4013 44 G 4.3692 8.2768 116.5264 44.3447 0.0000 169.7662 45 V 5.3691 8.5277 119.9563 59.9691 35.4530 176.6251 46 V 4.4825 8.4541 126.7599 62.9391 31.7269 175.5995 47 I 4.2815 8.7501 121.9160 61.0932 40.5169 175.4938 48 A 4.9111 7.9156 123.3916 49.5972 22.0970 174.6829 49 I 4.7262 7.8644 121.9166 58.8325 40.0261 174.7409 50 R 4.8222 8.0527 120.3633 57.9961 31.4260 176.9780 51 N 4.4322 9.4424 117.0666 55.3843 35.1018 174.5767 52 R 4.7276 8.3762 112.6251 55.7334 32.4179 176.8442 53 G 3.8578 7.5899 115.6582 46.7557 0.0000 176.6987 54 L 3.7370 8.1643 126.9192 57.2148 41.8061 176.7392 55 H 4.6615 8.2718 114.1021 55.9983 28.9334 175.4480 56 S 4.4711 7.5682 116.9200 59.1638 64.3096 173.2970 57 A 4.5801 7.8969 118.7212 51.5261 21.9177 175.8003 58 F 5.3817 7.8284 117.1028 55.6382 41.5905 174.5979 59 T 4.9519 9.1998 115.9021 61.7930 71.8116 173.7908 60 V 5.2422 8.6966 124.9674 60.2322 34.4147 173.7888 61 R 4.5920 8.6176 129.0559 55.6328 31.0227 175.7038 62 K 4.0232 8.3939 125.4604 57.3372 34.2872 173.4508 63 I 3.0885 8.1341 126.2550 60.9266 33.3715 172.2378 64 S 4.5708 7.8932 117.1035 57.0027 64.8929 172.5498 65 N 4.2297 8.6233 122.2532 53.8981 37.1008 174.5347 66 G 3.9077 7.3444 103.6783 45.5690 0.0000 172.4801 67 E 4.6305 7.5895 117.9622 52.6323 32.8901 175.6339 68 G 3.6554 8.8697 110.9140 45.4028 0.0000 173.9046 69 V 4.3196 7.9641 118.3415 60.8557 33.9238 174.0936 70 E 4.3731 8.8113 127.5734 56.4503 30.5585 177.0696 71 R 4.1328 8.4816 123.4805 54.8877 33.2764 174.4343 72 V 4.2043 8.0689 121.1584 60.4244 32.1983 175.9404 73 F 4.1678 8.3165 125.8305 56.5443 40.5807 175.7618 74 Q 4.2909 8.5723 122.1935 55.4001 28.3323 176.5677 75 T 3.9681 8.2070 119.2405 64.6785 67.4820 174.4426 76 H 4.7896 7.9125 115.1089 55.1087 29.6913 174.4683 77 S 4.2695 7.9347 115.2737 57.8785 62.4762 172.2319 78 P 4.3060 0.0000 0.0000 64.7275 32.0851 178.0304 79 V 3.2372 7.3469 111.2377 62.2723 31.5034 177.8249 80 V 3.6486 7.0833 119.7036 62.9076 33.5104 178.4076 81 D 4.0862 8.0278 118.1061 55.3236 38.8620 175.9713 82 S 4.5615 8.5309 114.8017 57.2950 66.1928 172.9670 83 I 4.1965 7.5672 114.8337 61.0393 39.3147 173.5778 84 S 4.5752 8.0050 132.1000 58.8923 65.8147 175.2838 85 V 4.4316 8.0293 114.9593 61.7881 31.8351 172.6968 86 K 3.9173 8.6727 127.4256 59.7228 32.1738 176.5069 87 R 4.7886 7.7119 115.1522 54.4935 33.8281 173.7495 88 R 4.8771 8.4968 117.4611 54.2713 33.4804 175.2819 89 G 4.8792 9.8828 110.0754 43.8049 0.0000 173.4525 90 A 4.6847 8.4975 124.5323 50.2649 17.9041 176.0196 91 V 3.8069 8.2188 119.8401 64.0178 32.9706 175.9741 92 R 3.7338 7.7287 117.8550 54.7143 27.4258 174.2399 93 K 4.2271 7.5143 117.1172 55.2596 34.5641 173.1772 94 A 3.8798 8.3432 128.3816 53.9331 18.7467 177.0841 95 K 4.3935 7.8338 115.9958 54.3818 34.3378 177.3875 96 L 4.7542 7.7707 121.8111 54.5755 41.9779 178.3108 97 Y 4.3696 7.7105 117.5892 60.5814 38.5398 177.9747 98 Y 4.4004 8.1189 116.7079 58.9968 38.4086 176.7674 99 L 3.9719 7.0240 119.3009 56.3668 41.9482 178.4130 100 R 4.3311 7.6565 115.6609 57.2070 29.7496 177.4165 101 E 4.6830 7.7906 117.8944 54.8711 30.6154 174.3771 102 R 4.3801 7.4012 117.9316 52.6157 33.8666 176.6884 103 T 3.6700 8.1964 110.1517 63.4998 68.1337 171.5614 104 G 4.0572 8.2608 110.9539 47.4246 0.0000 174.3160 105 K 4.0391 8.9388 119.9406 56.3241 30.3281 176.4009 106 A 4.4733 8.0445 119.7196 53.4708 20.1866 177.1494 107 A 3.7430 7.8577 117.7614 52.5732 18.9122 179.5400 108 R 3.4849 7.0557 119.7776 56.3508 26.8277 176.5813 109 I 3.8083 7.9986 127.4819 61.7154 36.9260 178.8851 110 K 4.3572 7.7683 125.9427 56.9693 36.5282 174.9557 111 E 4.7279 8.4530 117.6281 54.4622 31.7147 176.3596 112 R 3.8150 9.0521 125.7798 55.8004 29.2639 174.2135 113 L 3.8015 9.1604 120.6324 54.4731 44.2353 172.8469 114 N 4.6107 8.5732 121.2004 53.5271 39.3557 174.1362 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 S 8.19 4.45 0.00 3.90 3.93 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 2 N 8.02 4.43 0.00 2.86 2.85 0.00 0.00 6.50 6.44 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 3 I 8.35 4.15 1.87 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 1.41 1.31 0.91 0.00 0.00 4 I 7.08 4.31 1.88 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 1.19 0.67 0.99 0.00 0.00 5 K 7.56 4.48 0.00 1.84 1.79 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.40 7.81 6 Q 8.22 3.92 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 7 L 7.52 3.90 0.00 1.75 1.70 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 8 E 7.91 4.07 0.00 2.15 1.89 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 2.34 2.35 0.00 9 Q 8.24 4.17 0.00 2.25 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.82 0.00 0.00 0.00 0.00 0.00 2.55 2.34 0.00 10 E 7.62 4.16 0.00 2.18 2.18 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 2.32 2.35 0.00 11 Q 7.86 4.49 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.63 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 12 M 7.70 4.15 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.11 0.00 13 K 8.51 4.34 0.00 1.87 1.85 0.00 1.65 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.44 1.41 7.81 14 Q 8.39 4.63 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.93 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 15 D 8.08 4.68 0.00 2.64 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 16 V 7.66 3.69 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 0.93 0.00 0.00 0.96 0.00 0.00 17 P 0.00 4.58 0.00 1.99 1.93 0.00 3.73 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 18 S 8.34 4.36 0.00 4.01 3.93 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 19 F 8.47 3.83 0.00 2.83 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 20 R 8.13 3.89 0.00 2.10 1.98 0.00 3.27 0.00 0.00 3.41 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 21 P 0.00 4.41 0.00 2.23 2.12 0.00 3.83 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 22 G 8.14 3.71 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 0.00 0.00 0.00 23 D 7.72 5.21 0.00 2.59 2.47 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 0.00 24 T 8.13 5.13 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 1.20 0.00 0.00 25 V 7.26 3.13 1.64 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 0.37 0.00 0.00 0.84 0.00 0.00 26 E 8.24 4.27 0.00 2.03 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 2.38 2.33 0.00 27 V 8.54 4.08 1.61 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 0.19 0.00 0.00 0.82 0.00 0.00 28 K 7.92 5.03 0.00 1.63 1.76 0.00 1.56 0.00 0.00 1.57 0.00 0.00 3.14 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.52 1.35 7.81 29 V 8.20 5.11 2.18 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 1.33 0.00 0.00 1.14 0.00 0.00 30 W 9.16 5.76 0.00 3.29 3.02 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 31 V 8.44 4.31 2.31 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 0.83 0.00 0.00 1.01 0.00 0.00 32 V 8.09 3.24 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 0.72 0.00 0.00 0.92 0.00 0.00 33 E 8.55 3.83 0.00 2.02 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 2.34 2.33 0.00 34 G 7.72 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 0.00 0.00 0.00 0.00 35 S 8.05 4.62 0.00 3.79 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 36 K 7.85 4.61 0.00 1.75 1.86 0.00 1.49 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.42 7.81 37 K 8.52 4.77 0.00 1.43 1.52 0.00 1.47 0.00 0.00 1.41 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.31 7.81 38 R 7.80 4.35 0.00 1.88 2.02 0.00 2.97 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 39 L 8.65 5.32 0.00 1.63 1.72 1.35 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.81 4.72 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 41 A 8.82 4.50 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 42 F 8.41 4.25 0.00 3.22 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 43 E 8.78 4.88 0.00 1.85 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 2.23 2.30 0.00 44 G 8.28 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 0.00 0.00 0.00 0.00 45 V 8.53 5.37 2.21 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 1.24 0.00 0.00 0.94 0.00 0.00 46 V 8.45 4.48 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 1.11 0.00 0.00 0.97 0.00 0.00 47 I 8.75 4.28 1.70 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 1.17 0.70 0.85 0.00 0.00 48 A 7.92 4.91 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 49 I 7.86 4.73 1.88 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.81 0.91 0.00 0.00 50 R 8.05 4.82 0.00 1.77 1.27 0.00 3.06 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.56 0.00 51 N 9.44 4.43 0.00 2.84 3.11 0.00 0.00 6.51 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 52 R 8.38 4.73 0.00 1.88 1.88 0.00 3.46 0.00 0.00 3.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 53 G 7.59 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 54 L 8.16 3.74 0.00 1.45 1.58 0.78 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 55 H 8.27 4.66 0.00 3.23 3.31 0.00 5.73 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.57 4.47 0.00 3.73 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 57 A 7.90 4.58 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 58 F 7.83 5.38 0.00 3.45 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 59 T 9.20 4.95 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 60 V 8.70 5.24 2.49 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 1.46 0.00 0.00 1.46 0.00 0.00 61 R 8.62 4.59 0.00 1.97 1.80 0.00 3.18 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 62 K 8.39 4.02 0.00 1.69 1.64 0.00 1.08 0.00 0.00 1.27 0.00 0.00 2.75 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.19 1.37 7.81 63 I 8.13 3.09 1.85 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 0.79 0.90 0.00 0.00 64 S 7.89 4.57 0.00 3.68 3.61 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 65 N 8.62 4.23 0.00 2.87 2.82 0.00 0.00 6.68 7.65 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 66 G 7.34 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 E 7.59 4.63 0.00 1.94 1.79 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 2.26 2.20 0.00 68 G 8.87 3.66 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 69 V 7.96 4.32 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 1.09 0.00 0.00 0.93 0.00 0.00 70 E 8.81 4.37 0.00 1.92 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 2.35 2.35 0.00 71 R 8.48 4.13 0.00 1.53 0.98 0.00 2.72 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.95 0.00 72 V 8.07 4.20 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 0.69 0.00 0.00 0.79 0.00 0.00 73 F 8.32 4.17 0.00 1.51 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 74 Q 8.57 4.29 0.00 1.96 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 75 T 8.21 3.97 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 1.11 0.00 0.00 76 H 7.91 4.79 0.00 3.29 3.25 0.00 5.77 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 7.93 4.27 0.00 3.79 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 78 P 0.00 4.31 0.00 2.10 2.23 0.00 3.72 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 1.99 1.99 0.00 79 V 7.35 3.24 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 0.90 0.00 0.00 0.93 0.00 0.00 80 V 7.08 3.65 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 0.62 0.00 0.00 1.00 0.00 0.00 81 D 8.03 4.09 0.00 2.35 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 0.00 0.00 0.00 82 S 8.53 4.56 0.00 3.78 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 83 I 7.57 4.20 1.75 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 1.15 0.52 0.85 0.00 0.00 84 S 8.01 4.58 0.00 3.77 3.63 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 85 V 8.03 4.43 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 0.52 0.00 0.00 0.87 0.00 0.00 86 K 8.67 3.92 0.00 1.71 1.90 0.00 1.53 0.00 0.00 1.77 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.48 7.81 87 R 7.71 4.79 0.00 1.76 1.77 0.00 3.19 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 88 R 8.50 4.88 0.00 1.74 1.75 0.00 3.11 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 89 G 9.88 4.88 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 0.00 0.00 0.00 90 A 8.50 4.68 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 91 V 8.22 3.81 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 0.97 0.00 0.00 1.01 0.00 0.00 92 R 7.73 3.73 0.00 1.96 1.92 0.00 3.36 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 93 K 7.51 4.23 0.00 1.73 1.74 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.29 1.54 7.81 94 A 8.34 3.88 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 95 K 7.83 4.39 0.00 1.87 1.18 0.00 1.85 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.61 7.81 96 L 7.77 4.75 0.00 1.75 1.39 0.99 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 7.71 4.37 0.00 3.18 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 98 Y 8.12 4.40 0.00 3.12 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 99 L 7.02 3.97 0.00 1.61 1.55 0.68 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.66 4.33 0.00 1.88 2.00 0.00 3.35 0.00 0.00 3.50 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 101 E 7.79 4.68 0.00 1.90 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 0.00 2.27 2.35 0.00 102 R 7.40 4.38 0.00 1.72 1.82 0.00 3.66 0.00 0.00 3.28 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 103 T 8.20 3.67 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 0.00 104 G 8.26 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 0.00 0.00 0.00 105 K 8.94 4.04 0.00 1.95 2.03 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.37 7.81 106 A 8.04 4.47 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 0.00 107 A 7.86 3.74 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 0.00 108 R 7.06 3.48 0.00 1.90 2.24 0.00 3.22 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 109 I 8.00 3.81 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 1.42 0.47 0.95 0.00 0.00 110 K 7.77 4.36 0.00 1.85 1.71 0.00 1.91 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.41 7.81 111 E 8.45 4.73 0.00 1.87 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 0.00 2.20 2.32 0.00 112 R 9.05 3.81 0.00 1.89 1.68 0.00 3.37 0.00 0.00 3.27 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 113 L 9.16 3.80 0.00 1.81 1.66 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.57 4.61 0.00 2.69 2.64 0.00 0.00 6.91 7.56 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