NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.8713 8.4293 117.8435 53.9616 30.6707 173.1407 6 E 4.7953 8.0827 118.5145 53.2769 32.1790 176.0935 7 T 4.1043 8.6710 112.0544 61.8104 71.5755 176.2026 8 D 4.4281 8.6764 121.4487 57.7960 40.8089 179.1698 9 E 4.0347 8.1295 118.4714 59.4958 29.5998 179.0668 10 E 4.0315 8.3501 118.7292 59.1184 29.6075 179.0281 11 F 4.1582 8.4088 120.7366 61.6339 39.4364 176.8688 12 D 4.5178 8.7283 118.3878 57.4563 40.5843 178.8335 13 A 4.0187 8.2228 121.2468 55.0799 18.3715 179.6429 14 R 3.6837 7.9445 117.2784 59.2022 30.0814 178.8926 15 W 3.7219 7.8115 118.3334 59.6255 28.9705 178.2406 16 V 3.7487 8.1958 118.6354 66.9136 30.4672 178.0879 17 T 3.8442 8.1578 115.0434 66.6812 68.0320 175.7790 18 Y 3.7157 7.4864 120.4016 60.8159 38.8771 178.0937 19 F 4.6541 8.1007 116.0510 59.5166 39.3589 177.1810 20 N 4.7519 8.3348 115.2577 53.3897 38.6114 174.8066 21 K 3.7645 7.3473 122.2776 56.1600 32.5341 174.9911 22 P 4.2559 0.0000 0.0000 65.6618 31.2682 177.4810 23 D 4.8033 7.7999 114.5179 52.7444 39.8419 175.9364 24 I 3.5974 7.5708 120.1445 62.8757 38.3010 175.8680 25 D 4.8157 9.1603 128.0029 52.2198 42.4982 177.2142 26 A 4.0420 8.4481 120.0428 54.9703 18.2900 179.0883 27 W 4.1780 8.4397 126.5794 61.1266 30.5301 177.9259 28 E 4.2187 9.4455 118.5895 59.1613 28.8585 179.1136 29 L 4.2981 8.2725 120.5077 58.3767 42.1886 179.3154 30 R 3.8712 8.1533 117.9826 59.1285 29.9795 178.7828 31 K 3.6082 7.8876 119.8658 59.4496 31.9079 179.0179 32 G 3.5693 8.4869 106.0022 48.1560 0.0000 175.7218 33 M 4.1955 8.3884 121.5159 58.2267 31.7506 178.6989 34 N 4.3824 8.3867 116.1623 56.2835 38.9396 177.5091 35 T 3.9873 8.1352 117.5041 66.4835 68.6312 176.5864 36 L 3.8927 8.0776 123.0227 58.1435 42.0663 178.6809 37 V 3.9690 7.4854 108.7582 62.0878 31.5863 177.2520 38 G 3.4906 7.5957 109.2151 47.3326 0.0000 173.8875 39 Y 4.3771 7.1089 117.0415 57.1166 39.1376 175.7551 40 D 4.6337 8.2960 122.6359 51.3640 39.7294 175.1145 41 L 4.3121 7.2020 119.9674 54.7205 42.6293 174.6052 42 V 4.0981 8.2777 120.1623 60.7532 32.4289 174.1368 43 P 4.3598 0.0000 0.0000 62.2949 31.9829 175.8782 44 E 4.0343 8.9145 121.5611 56.3424 30.2720 176.3719 45 P 4.2418 0.0000 0.0000 65.9455 31.3909 179.0161 46 K 4.1775 8.0619 116.6250 59.4941 32.6366 179.3683 47 I 3.9102 7.9759 121.5838 64.3878 37.0610 178.2328 48 I 3.5362 7.6578 120.1705 64.1834 36.9562 177.5319 49 D 4.3996 8.4442 119.0774 57.4956 41.0287 178.0908 50 A 4.0176 7.8670 120.2422 55.3265 18.2860 179.4437 51 A 3.4123 7.8235 118.9042 55.1821 18.3605 179.7912 52 L 3.8335 8.5615 118.3316 58.1137 41.6088 180.0655 53 R 4.0267 8.0995 117.6738 58.7958 29.9697 178.8980 54 A 4.0458 8.0119 121.0082 55.1456 18.3310 179.2133 55 C 3.9787 8.1852 115.5133 63.0506 28.1653 176.0800 56 R 3.9081 7.9621 119.9614 59.9560 29.4275 178.7442 57 R 3.9925 8.0452 115.9936 58.5739 30.0546 178.0409 58 L 4.4777 7.6382 116.4177 53.2478 42.3596 175.9798 59 N 4.2063 8.3397 115.6638 54.8545 36.9225 175.1868 60 D 4.8188 8.2755 117.8001 51.4816 41.8368 175.3671 61 F 4.1890 8.7520 126.3686 60.7623 39.6932 176.0217 62 A 3.8934 8.1859 119.8808 55.4051 18.1604 179.5729 63 S 3.9941 8.3992 113.3498 61.5292 62.8874 176.7954 64 A 3.8340 7.3933 122.5229 55.1189 18.0965 179.8723 65 V 3.3431 6.9972 116.7190 66.0120 31.5665 178.1690 66 R 4.3784 7.9074 119.8484 58.9373 29.9304 178.4856 67 I 3.6428 7.9802 119.9449 64.3845 37.0530 178.3759 68 L 4.0777 7.7164 119.5840 57.8869 41.5121 179.3898 69 E 3.8457 8.3179 118.8124 59.3144 29.3939 179.7517 70 V 3.6819 7.9289 119.0727 64.1823 31.4052 178.5832 71 V 3.5481 7.4525 118.3493 65.9381 31.5242 177.5376 72 K 3.9498 7.6898 118.8146 59.4177 31.8449 178.2954 73 D 4.2324 7.8885 118.3322 57.2330 41.0222 178.2136 74 K 3.9436 8.3715 117.7189 58.9885 32.3065 178.2710 75 A 4.2857 7.9743 120.5121 51.8779 18.9005 178.3949 76 G 3.6105 8.3137 106.0062 46.5859 0.0000 173.5406 77 P 4.5111 0.0000 0.0000 63.3339 32.0504 177.1712 78 H 4.6395 8.0416 118.8034 55.1120 26.5034 176.0276 79 K 4.2166 8.0335 121.2612 58.2733 32.7650 178.8005 80 E 4.2263 8.1445 117.3070 58.4736 29.6339 179.0050 81 I 3.8863 7.6829 121.1731 64.5360 37.2477 177.4888 82 Y 4.1973 8.0380 119.7450 60.5085 38.8087 176.0948 83 P 4.0357 0.0000 0.0000 65.6092 31.2982 178.0008 84 Y 3.9882 7.7190 117.1066 60.5944 38.5078 178.1639 85 V 3.3456 7.7956 118.4327 65.7948 31.9148 177.7821 86 I 3.5780 7.4644 119.5580 64.4634 36.8843 177.6117 87 Q 3.7176 7.7511 119.9679 59.8823 28.5210 178.9408 88 E 3.7918 7.7257 118.7817 58.9868 29.7464 178.7638 89 L 4.2691 7.5666 117.4906 55.3730 42.0741 178.4183 90 R 3.8269 7.5218 119.3211 59.3294 29.8535 176.3491 91 P 4.3095 0.0000 0.0000 65.9005 31.2936 178.7445 92 T 3.9889 7.6668 114.0956 66.3336 68.5248 176.7507 93 L 3.9855 8.2487 121.3774 57.8468 41.5607 179.3438 94 N 4.3084 8.5752 116.6387 56.3376 38.3189 177.0054 95 E 3.9282 8.3675 119.5472 59.0923 29.8820 178.1153 96 L 4.4586 8.2567 116.0815 53.9764 42.1117 177.1071 97 G 3.8860 7.5906 106.6844 46.4119 0.0000 173.5611 98 I 4.4474 7.7623 121.0437 60.1770 37.6757 176.2817 99 S 4.7570 8.9139 121.9668 57.9740 64.1879 174.7113 100 T 4.3688 8.8603 114.3440 60.4968 71.0763 174.1034 101 P 4.2769 0.0000 0.0000 66.0231 31.2882 178.8045 102 E 4.1626 8.2109 116.6324 59.6371 29.3099 179.1569 103 E 4.0534 8.2885 117.2391 58.8980 29.5685 178.4954 104 L 4.4032 7.8536 116.8388 54.3418 41.9752 177.7654 105 G 3.9342 8.1641 107.8871 45.8955 0.0000 174.9428 106 L 4.3476 8.0221 118.4705 55.2473 41.8120 177.0621 107 D 4.6251 7.9679 117.7661 53.1746 40.0016 176.1594 108 K 4.4944 7.3425 119.4446 55.5664 34.3439 177.0231 109 V 3.8112 8.2017 113.1612 61.8411 31.5720 176.1608 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 5 H 8.43 4.87 0.00 3.19 3.24 0.00 5.75 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.08 4.80 0.00 2.30 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 2.12 2.46 0.00 7 T 8.67 4.10 4.46 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 1.23 0.00 0.00 8 D 8.68 4.43 0.00 2.73 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 9 E 8.13 4.03 0.00 2.09 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 2.43 2.50 0.00 10 E 8.35 4.03 0.00 2.23 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 2.35 2.35 0.00 11 F 8.41 4.16 0.00 3.19 3.24 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 12 D 8.73 4.52 0.00 3.01 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 13 A 8.22 4.02 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 14 R 7.94 3.68 0.00 2.05 1.53 0.00 2.59 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.53 0.00 15 W 7.81 3.72 0.00 3.39 3.25 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 0.00 16 V 8.20 3.75 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 1.19 0.00 0.00 1.16 0.00 0.00 17 T 8.16 3.84 4.35 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 1.16 0.00 0.00 18 Y 7.49 3.72 0.00 2.55 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 19 F 8.10 4.65 0.00 3.24 3.23 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 20 N 8.33 4.75 0.00 2.82 2.90 0.00 0.00 6.89 8.45 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 21 K 7.35 3.76 0.00 1.64 1.59 0.00 1.57 0.00 0.00 1.50 0.00 0.00 2.74 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.36 7.81 22 P 0.00 4.26 0.00 2.07 2.12 0.00 3.69 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 2.02 2.09 0.00 23 D 7.80 4.80 0.00 2.77 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 24 I 7.57 3.60 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.70 1.03 0.00 0.00 25 D 9.16 4.82 0.00 3.06 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 26 A 8.45 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 27 W 8.44 4.18 0.00 3.43 3.40 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 28 E 9.45 4.22 0.00 2.25 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 2.66 2.87 0.00 29 L 8.27 4.30 0.00 1.92 1.98 1.06 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.15 3.87 0.00 1.83 1.83 0.00 3.17 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 31 K 7.89 3.61 0.00 0.79 1.59 0.00 1.29 0.00 0.00 1.19 0.00 0.00 3.09 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.29 1.39 7.81 32 G 8.49 3.57 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 0.00 0.00 0.00 33 M 8.39 4.20 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.84 0.00 34 N 8.39 4.38 0.00 2.64 2.81 0.00 0.00 7.10 7.08 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 35 T 8.14 3.99 4.60 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 1.39 0.00 0.00 36 L 8.08 3.89 0.00 0.67 1.60 -0.02 0.80 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 37 V 7.49 3.97 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 0.67 0.00 0.00 0.96 0.00 0.00 38 G 7.60 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 7.11 4.38 0.00 3.01 2.85 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 40 D 8.30 4.63 0.00 2.64 2.60 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 41 L 7.20 4.31 0.00 1.65 1.47 0.95 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.28 4.10 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 0.96 0.00 0.00 43 P 0.00 4.36 0.00 2.06 1.93 0.00 3.77 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 1.97 2.06 0.00 44 E 8.91 4.03 0.00 2.07 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 0.00 2.48 2.70 0.00 45 P 0.00 4.24 0.00 2.15 2.06 0.00 3.69 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 2.18 2.19 0.00 46 K 8.06 4.18 0.00 2.03 2.11 0.00 1.56 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.60 7.81 47 I 7.98 3.91 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.72 1.10 0.00 0.00 48 I 7.66 3.54 1.94 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.17 0.84 0.00 0.00 49 D 8.44 4.40 0.00 2.68 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 50 A 7.87 4.02 1.59 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 51 A 7.82 3.41 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.56 3.83 0.00 1.73 1.69 0.86 0.01 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 53 R 8.10 4.03 0.00 1.90 1.99 0.00 3.14 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 54 A 8.01 4.05 1.58 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 0.00 0.00 55 C 8.19 3.98 0.00 3.16 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 56 R 7.96 3.91 0.00 1.96 2.20 0.00 3.19 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 57 R 8.05 3.99 0.00 1.98 2.01 0.00 3.22 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.93 0.00 58 L 7.64 4.48 0.00 1.67 1.73 1.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.34 4.21 0.00 2.85 2.90 0.00 0.00 6.59 7.91 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 60 D 8.28 4.82 0.00 2.78 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 8.75 4.19 0.00 3.21 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 62 A 8.19 3.89 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 63 S 8.40 3.99 0.00 3.87 3.89 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 64 A 7.39 3.83 1.20 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 65 V 7.00 3.34 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 0.92 0.00 0.00 0.34 0.00 0.00 66 R 7.91 4.38 0.00 2.02 1.98 0.00 3.32 0.00 0.00 3.23 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 67 I 7.98 3.64 1.93 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 1.42 0.89 0.80 0.00 0.00 68 L 7.72 4.08 0.00 1.90 1.88 0.91 0.90 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 69 E 8.32 3.85 0.00 2.16 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 2.25 2.39 0.00 70 V 7.93 3.68 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 0.85 0.00 0.00 0.88 0.00 0.00 71 V 7.45 3.55 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.01 0.00 0.00 72 K 7.69 3.95 0.00 0.79 1.49 0.00 0.71 0.00 0.00 1.13 0.00 0.00 2.75 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.15 1.03 7.81 73 D 7.89 4.23 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 74 K 8.37 3.94 0.00 1.76 1.88 0.00 1.74 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.60 7.81 75 A 7.97 4.29 1.47 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 0.00 0.00 76 G 8.31 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 0.00 0.00 0.00 77 P 0.00 4.51 0.00 2.09 2.10 0.00 3.81 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.88 0.00 78 H 8.04 4.64 0.00 3.45 3.31 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.03 4.22 0.00 1.77 1.91 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.58 7.81 80 E 8.14 4.23 0.00 2.18 2.23 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 2.37 2.33 0.00 81 I 7.68 3.89 1.96 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 1.41 0.71 1.00 0.00 0.00 82 Y 8.04 4.20 0.00 2.95 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 83 P 0.00 4.04 0.00 2.22 2.08 0.00 3.83 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 84 Y 7.72 3.99 0.00 3.16 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 85 V 7.80 3.35 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 0.85 0.00 0.00 1.11 0.00 0.00 86 I 7.46 3.58 1.48 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 -0.26 0.73 0.00 0.00 87 Q 7.75 3.72 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.75 0.00 0.00 0.00 0.00 0.00 2.15 2.34 0.00 88 E 7.73 3.79 0.00 1.77 1.81 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 1.47 1.81 0.00 89 L 7.57 4.27 0.00 1.71 1.62 0.85 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.52 3.83 0.00 2.15 1.89 0.00 3.24 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 91 P 0.00 4.31 0.00 2.17 2.06 0.00 3.64 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 92 T 7.67 3.99 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 1.21 0.00 0.00 93 L 8.25 3.99 0.00 1.79 1.86 0.87 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.58 4.31 0.00 2.90 2.86 0.00 0.00 6.70 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 95 E 8.37 3.93 0.00 2.00 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 2.33 2.36 0.00 96 L 8.26 4.46 0.00 1.71 1.73 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 97 G 7.59 3.89 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 0.00 98 I 7.76 4.45 1.89 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 1.32 0.68 0.82 0.00 0.00 99 S 8.91 4.76 0.00 4.09 3.95 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 0.00 0.00 0.00 0.00 100 T 8.86 4.37 4.47 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 1.26 0.00 0.00 101 P 0.00 4.28 0.00 2.19 2.15 0.00 3.73 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 2.12 2.18 0.00 102 E 8.21 4.16 0.00 2.12 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 2.51 2.72 0.00 103 E 8.29 4.05 0.00 2.12 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 2.37 2.38 0.00 104 L 7.85 4.40 0.00 1.80 1.77 1.15 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.16 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 0.00 0.00 0.00 106 L 8.02 4.35 0.00 1.77 1.72 0.95 0.88 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 0.00 107 D 7.97 4.63 0.00 2.76 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 0.00 108 K 7.34 4.49 0.00 1.87 1.84 0.00 1.60 0.00 0.00 1.75 0.00 0.00 3.19 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.39 7.81 109 V 8.20 3.81 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 0.66 0.00 0.00 0.92 0.00 0.00