NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2015 8.3149 119.9968 57.7309 33.9305 174.8550 2 Q 3.3496 8.6796 117.3385 56.8341 26.1373 174.1360 3 Q 4.1165 8.2368 118.6773 58.9146 30.1367 177.5029 4 L 4.1719 7.6128 116.4142 55.4534 41.3304 176.0313 5 Q 4.4559 8.1979 121.2000 55.4777 30.4730 174.4115 6 E 4.7586 8.0116 119.6574 56.3301 33.4439 174.2552 7 H 4.7741 8.3010 115.6431 55.5786 32.5882 172.7916 8 A 4.4907 8.0098 123.1533 50.4227 21.7322 174.4293 9 P 4.3565 0.0000 0.0000 63.1337 31.4130 175.9792 10 S 4.5830 8.0807 115.9217 57.8874 65.1751 174.1610 11 H 4.5582 8.7511 118.0823 54.7041 29.8835 174.6537 12 A 4.8367 8.0371 124.9325 49.6040 22.1906 176.7996 13 N 4.2972 8.7210 116.3890 55.9764 37.3400 177.1933 14 L 3.7873 8.0171 117.8977 58.6593 40.4253 177.8408 15 D 4.4470 7.8084 117.7569 56.9359 40.8721 177.7086 16 V 3.6219 7.1157 117.6272 62.6900 31.8691 176.0194 17 K 4.1943 8.2919 126.1071 55.1790 33.2665 175.9574 18 W 4.3563 8.4829 119.9592 56.4035 29.4836 177.1066 19 L 4.1035 8.8084 120.5521 58.0800 41.5788 177.2776 20 D 4.3782 8.4095 117.4670 57.5440 41.0973 175.7799 21 G 4.2445 7.0141 102.4811 43.4425 0.0000 172.7863 22 L 4.7983 8.1298 119.6364 52.6754 44.4649 177.1618 23 R 4.0435 8.9367 120.5658 58.7660 30.0519 177.1432 24 A 4.5126 7.8477 119.8548 52.4488 20.7523 177.6178 25 G 3.9721 7.9260 103.4817 48.3326 0.0000 174.1610 26 S 4.3843 7.6195 122.0943 56.7178 64.2389 173.2858 27 M 4.2093 8.6020 124.4193 57.3772 32.5945 177.7387 28 A 4.0156 7.8398 119.7254 54.9114 18.7689 177.7052 29 L 4.4520 7.4596 114.0714 53.3356 43.7123 176.4075 30 Q 4.3318 8.4257 121.6666 55.1750 28.8959 176.5262 31 G 3.8218 8.5854 112.8783 46.8219 0.0000 174.5318 32 D 4.4913 8.0003 120.3728 57.7109 41.2602 178.5570 33 V 4.0849 7.7651 112.1501 64.0194 31.6671 178.1358 34 K 3.8841 7.6843 118.4277 59.5687 32.2822 177.7246 35 V 4.2842 7.6778 110.1914 61.9837 32.3027 177.8835 36 W 4.2666 8.3520 129.4395 61.0419 30.6240 177.6392 37 M 4.3729 8.3512 117.8497 58.5386 31.3577 178.2401 38 Q 4.1027 8.3255 117.2604 59.9915 28.1707 178.9684 39 N 4.3224 8.8246 118.2544 55.9973 38.5302 177.2091 40 L 4.2156 8.4076 120.5677 57.0503 41.5974 178.7910 41 E 3.8250 8.0301 118.5066 59.1746 29.8210 177.8906 42 D 4.4579 7.7922 117.3425 57.0130 41.3785 177.9149 43 L 3.9383 7.7038 120.7212 58.4821 41.9981 178.0761 44 H 4.1099 8.5861 117.6425 59.8712 29.6836 176.4366 45 T 4.0496 7.2396 116.0602 66.9675 68.4018 175.1282 46 R 4.0982 8.1578 119.7104 57.7060 31.0328 176.2309 47 R 4.5783 7.4729 115.3686 53.0155 33.4511 173.9340 48 P 4.2262 0.0000 0.0000 66.2874 31.4983 177.9829 49 D 4.3642 8.1900 116.6159 56.5466 41.1376 177.1941 50 E 4.1378 7.8209 117.7272 57.4449 29.6738 177.6503 51 F 4.1865 8.5782 115.9417 60.6683 37.7175 177.6819 52 T 3.2593 6.3647 108.6811 63.4670 68.4079 176.1488 53 A 3.9014 7.8937 123.1726 54.6234 18.2239 178.8705 54 R 3.8080 7.5663 118.6234 59.3310 30.1310 178.4089 55 L 3.8659 7.2153 120.4499 57.3561 40.3449 178.3611 56 Q 3.6243 7.4685 120.7633 59.5321 28.4571 178.8352 57 Q 4.0916 7.3918 117.1430 58.7448 29.1081 178.2312 58 S 4.5063 7.7646 115.0802 61.4895 63.5580 176.0556 59 T 3.9820 8.2261 118.4412 64.2313 66.8731 175.0146 60 D 4.3063 7.6260 119.6652 57.4205 41.1330 177.8387 61 A 3.9851 8.4691 121.4730 55.4678 18.3296 179.4838 62 L 4.0131 7.9982 117.7332 58.4155 42.1870 177.8752 63 Y 3.9766 8.5847 119.9991 61.1457 38.5638 178.6278 64 S 4.3373 8.6669 115.8180 61.6977 63.2411 175.7787 65 H 4.1010 8.7355 121.2657 59.6275 29.3956 176.6956 66 L 3.9954 8.5287 122.2674 58.1461 41.8667 178.3299 67 E 4.0917 7.7582 116.9980 59.2494 29.2093 178.5162 68 A 4.2490 8.7787 121.1416 54.7539 18.9024 179.1255 69 Q 3.9113 8.6126 117.6360 59.2062 29.3088 178.3485 70 W 3.9796 8.7417 129.4490 60.4411 29.0239 177.3611 71 A 4.2245 7.8198 119.8484 55.3199 17.3987 179.7382 72 K 4.0836 8.0717 115.9997 59.7816 32.2749 178.3702 73 Q 3.9962 8.0352 117.2594 58.9453 28.8917 176.7283 74 H 4.5710 8.0660 109.5410 57.4446 30.9965 175.4108 75 G 4.1478 8.6624 105.6742 45.6840 0.0000 174.7051 76 T 4.2114 7.8537 108.9346 63.7110 69.4673 174.6140 77 P 4.2780 0.0000 0.0000 63.7701 31.6415 174.2855 78 P 4.3152 0.0000 0.0000 63.4426 31.1858 175.9702 79 T 4.3952 8.2937 117.4870 61.1407 73.1883 174.0689 80 A 4.2732 8.6389 125.3725 55.6900 18.0106 180.3824 81 S 3.9913 7.9378 110.4935 61.4168 62.9049 175.5137 82 D 4.4010 7.7769 120.8368 57.1988 40.8838 178.6865 83 V 3.5043 7.8325 117.7250 65.9352 31.2997 177.9139 84 V 4.0119 6.5409 119.4195 63.4117 31.2308 177.0000 85 G 3.7239 8.1299 104.1719 44.4612 0.0000 173.1927 86 M 3.7419 7.7395 119.7935 57.7058 32.2194 174.5279 87 P 4.4382 0.0000 0.0000 62.0161 32.7236 176.3091 88 Q 4.1018 8.5494 116.1650 58.3945 28.6612 177.6736 89 W 4.4199 8.2482 118.4629 59.8368 27.5457 177.5275 90 Q 2.0000 6.0249 118.3716 58.1616 28.3684 178.2891 91 E 3.9868 7.5047 118.3315 59.6954 29.9166 177.8187 92 Y 3.7824 8.3642 116.7984 61.9187 37.9377 179.0491 93 T 3.6155 8.4179 110.1181 64.9905 68.6137 176.0222 94 A 4.0254 8.0189 122.9162 54.6287 18.2399 179.3622 95 M 4.0608 8.3972 118.2265 57.9212 32.2345 178.4977 96 L 4.0911 7.7152 119.8487 58.6354 40.9394 178.9182 97 R 3.9465 8.0113 117.7148 58.5417 29.1942 178.0425 98 E 4.2521 7.6182 117.9235 58.7031 30.1503 177.4620 99 R 4.3991 7.9586 118.2651 56.2685 30.0568 178.0192 100 F 4.1785 8.3537 114.4037 59.0927 37.7419 176.2666 101 A 3.0884 6.9647 123.1209 54.5577 18.5509 178.0660 102 G 4.0575 7.6297 103.6148 44.1263 0.0000 173.9539 103 L 3.9850 7.7380 116.9851 55.6999 41.5970 176.7243 104 D 4.8112 8.5061 123.6916 54.8780 43.4315 177.9211 105 T 3.9253 8.0900 108.3578 64.4074 68.5655 173.6059 106 I 4.0460 7.3091 125.0936 61.3103 37.2052 175.3153 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 K 8.31 4.20 0.00 1.88 1.88 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.41 7.81 2 Q 8.68 3.35 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.03 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 3 Q 8.24 4.12 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.00 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 4 L 7.61 4.17 0.00 1.74 1.66 0.91 0.46 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 5 Q 8.20 4.46 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 6 E 8.01 4.76 0.00 1.92 1.76 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 2.21 2.30 0.00 7 H 8.30 4.77 0.00 3.11 3.12 0.00 5.74 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 8 A 8.01 4.49 1.22 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 0.00 0.00 0.00 9 P 0.00 4.36 0.00 2.20 2.10 0.00 3.82 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 2.00 1.96 0.00 10 S 8.08 4.58 0.00 3.97 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 11 H 8.75 4.56 0.00 3.11 3.28 0.00 5.83 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 12 A 8.04 4.84 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 13 N 8.72 4.30 0.00 2.86 3.05 0.00 0.00 5.62 6.63 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 14 L 8.02 3.79 0.00 1.65 1.78 0.86 0.68 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 15 D 7.81 4.45 0.00 2.87 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 16 V 7.12 3.62 2.16 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 0.79 0.00 0.00 0.94 0.00 0.00 17 K 8.29 4.19 0.00 1.85 1.88 0.00 1.84 0.00 0.00 1.91 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.48 7.81 18 W 8.48 4.36 0.00 3.39 3.22 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 0.00 19 L 8.81 4.10 0.00 2.02 1.93 1.06 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.41 4.38 0.00 2.70 2.83 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 21 G 7.01 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 0.00 0.00 0.00 0.00 22 L 8.13 4.80 0.00 1.60 1.63 1.01 0.93 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 23 R 8.94 4.04 0.00 1.93 2.07 0.00 3.01 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 24 A 7.85 4.51 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 25 G 7.93 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 0.00 0.00 0.00 26 S 7.62 4.38 0.00 4.13 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 27 M 8.60 4.21 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 28 A 7.84 4.02 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 29 L 7.46 4.45 0.00 1.66 1.64 0.94 0.89 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 30 Q 8.43 4.33 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.37 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 31 G 8.59 3.82 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 0.00 0.00 0.00 32 D 8.00 4.49 0.00 2.72 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 33 V 7.77 4.08 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 0.84 0.00 0.00 1.05 0.00 0.00 34 K 7.68 3.88 0.00 1.84 2.04 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.51 7.81 35 V 7.68 4.28 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 1.07 0.00 0.00 1.06 0.00 0.00 36 W 8.35 4.27 0.00 3.70 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.35 4.37 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.73 0.00 38 Q 8.33 4.10 0.00 2.30 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.92 0.00 0.00 0.00 0.00 0.00 2.59 2.50 0.00 39 N 8.82 4.32 0.00 2.84 2.81 0.00 0.00 6.84 6.50 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 40 L 8.41 4.22 0.00 1.48 1.72 1.04 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.03 3.82 0.00 2.08 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 2.28 2.31 0.00 42 D 7.79 4.46 0.00 2.76 2.62 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 43 L 7.70 3.94 0.00 1.87 1.70 0.96 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.59 4.11 0.00 3.18 3.31 0.00 5.84 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.24 4.05 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 1.22 0.00 0.00 46 R 8.16 4.10 0.00 1.72 1.88 0.00 3.24 0.00 0.00 3.15 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 47 R 7.47 4.58 0.00 1.84 1.69 0.00 3.21 0.00 0.00 3.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 48 P 0.00 4.23 0.00 2.35 2.02 0.00 3.75 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 49 D 8.19 4.36 0.00 2.65 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 E 7.82 4.14 0.00 2.13 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 2.22 2.28 0.00 51 F 8.58 4.19 0.00 3.23 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 52 T 6.36 3.26 3.73 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 -0.51 0.00 0.00 53 A 7.89 3.90 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 54 R 7.57 3.81 0.00 1.80 1.83 0.00 3.06 0.00 0.00 3.15 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 55 L 7.22 3.87 0.00 1.04 1.19 0.50 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.47 3.62 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.51 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 57 Q 7.39 4.09 0.00 2.05 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 58 S 7.76 4.51 0.00 4.04 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 59 T 8.23 3.98 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 0.94 0.00 0.00 60 D 7.63 4.31 0.00 2.77 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 61 A 8.47 3.99 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 L 8.00 4.01 0.00 1.93 1.84 1.09 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 8.58 3.98 0.00 3.28 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 64 S 8.67 4.34 0.00 4.10 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 65 H 8.74 4.10 0.00 3.31 3.62 0.00 5.78 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.53 4.00 0.00 1.95 1.62 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 67 E 7.76 4.09 0.00 2.07 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 2.27 2.52 0.00 68 A 8.78 4.25 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 69 Q 8.61 3.91 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 70 W 8.74 3.98 0.00 3.49 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 4.22 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.07 4.08 0.00 1.77 1.83 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.54 7.81 73 Q 8.04 4.00 0.00 1.71 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.55 0.00 0.00 0.00 0.00 0.00 1.84 1.16 0.00 74 H 8.07 4.57 0.00 3.16 3.37 0.00 5.87 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 75 G 8.66 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.85 4.21 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 1.32 0.00 0.00 77 P 0.00 4.28 0.00 2.20 2.24 0.00 3.98 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 1.99 0.00 78 P 0.00 4.32 0.00 2.29 2.33 0.00 3.90 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 79 T 8.29 4.40 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 1.26 0.00 0.00 80 A 8.64 4.27 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 81 S 7.94 3.99 0.00 3.89 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 82 D 7.78 4.40 0.00 2.76 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.83 3.50 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 0.68 0.00 0.00 0.91 0.00 0.00 84 V 6.54 4.01 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 1.03 0.00 0.00 1.26 0.00 0.00 85 G 8.13 3.72 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 0.00 0.00 0.00 86 M 7.74 3.74 0.00 1.58 1.77 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.40 0.00 87 P 0.00 4.44 0.00 2.36 2.12 0.00 3.43 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 2.16 0.00 88 Q 8.55 4.10 0.00 2.47 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.83 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 89 W 8.25 4.42 0.00 3.56 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 90 Q 6.02 2.00 0.00 0.93 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.04 0.00 0.00 0.00 0.00 0.00 1.90 2.12 0.00 91 E 7.50 3.99 0.00 1.97 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 2.25 0.00 92 Y 8.36 3.78 0.00 3.05 2.94 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 93 T 8.42 3.62 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 -0.49 0.00 0.00 94 A 8.02 4.03 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 95 M 8.40 4.06 0.00 1.88 2.03 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 96 L 7.72 4.09 0.00 1.94 1.95 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.01 3.95 0.00 2.04 2.23 0.00 3.14 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 98 E 7.62 4.25 0.00 2.22 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 0.00 2.34 2.36 0.00 99 R 7.96 4.40 0.00 2.01 1.86 0.00 3.17 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 100 F 8.35 4.18 0.00 3.24 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 A 6.96 3.09 0.91 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 0.00 102 G 7.63 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 0.00 103 L 7.74 3.98 0.00 1.68 1.73 1.04 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.51 4.81 0.00 2.83 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 0.00 105 T 8.09 3.93 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 1.16 0.00 0.00 106 I 7.31 4.05 1.91 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 1.22 0.65 0.95 0.00 0.00