NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9225 8.3393 109.7364 46.0383 0.0000 172.8203 2 S 4.2891 8.0685 118.3796 57.2609 65.0159 172.4117 3 S 4.5017 8.4210 113.9885 58.2472 65.6131 175.1188 4 G 4.1894 8.2281 110.4526 44.3413 0.0000 171.5080 5 S 4.6872 8.1053 113.5119 55.3722 65.6444 173.1214 6 S 4.2912 8.5585 117.4223 58.4173 62.4622 173.2973 7 G 4.1848 8.1057 110.8990 43.5281 0.0000 172.9364 8 R 4.1965 8.4460 122.7995 54.8528 30.9930 174.7451 9 P 4.5697 0.0000 0.0000 62.6162 33.8833 174.6141 10 G 3.9291 8.9290 108.5002 45.5526 0.0000 174.3966 11 G 3.9901 9.0772 113.4742 44.1761 0.0000 176.1726 12 D 4.0893 8.9776 114.5355 55.3804 37.8083 173.3071 13 A 4.5254 7.7820 131.4331 51.2592 18.3268 176.7027 14 R 4.4812 7.5583 122.3307 57.6470 32.3565 178.8687 15 E 4.3035 8.1948 115.8270 55.6501 30.4059 174.5239 16 P 4.7492 0.0000 0.0000 63.0114 32.4334 175.6267 17 R 4.7668 9.1179 118.3633 54.5733 33.6620 173.5023 18 K 4.7086 8.4797 117.8794 55.2198 33.9558 177.3862 19 I 4.4071 8.2425 123.9136 59.5474 39.4262 173.2143 20 I 4.4531 8.1789 126.0769 60.6427 37.7008 174.8213 21 L 4.6400 8.6529 128.0029 53.2569 44.1441 175.9186 22 H 4.9091 8.7235 120.8836 54.1373 29.3614 174.6086 23 K 3.9718 8.1528 124.0715 56.2626 31.8499 177.4235 24 G 3.7022 8.9014 115.0485 47.3078 0.0000 173.1904 25 S 4.7170 7.3035 121.9916 59.2110 64.6992 178.3642 26 T 4.0340 8.2766 112.6744 61.5778 69.7280 175.7141 27 G 3.9926 7.1265 110.4965 46.4970 0.0000 173.8237 28 L 4.2056 7.5822 121.1216 54.7255 42.6238 176.8878 29 G 3.7784 9.3795 107.0767 45.3952 0.0000 172.6562 30 F 5.2543 7.2202 110.4087 55.7380 40.6010 173.1979 31 N 5.0903 9.8174 122.0562 52.6836 41.3634 173.1265 32 I 5.2386 8.1372 112.5460 59.6848 41.1029 174.2918 33 V 4.0343 9.1833 116.2324 60.0340 36.6270 173.9298 34 G 4.1589 7.3486 105.4380 45.3892 0.0000 174.2943 35 G 4.1982 9.0172 111.4235 45.4737 0.0000 172.8857 36 E 4.5861 8.3789 119.2165 55.5235 31.2859 175.8725 37 D 4.4749 9.8841 123.4643 55.1174 39.0717 173.7254 38 G 4.0889 8.2495 102.7919 46.6897 0.0000 175.1419 39 E 4.0838 8.7501 116.7437 57.0445 30.8117 177.4185 40 G 4.3365 8.3238 107.6829 44.2737 0.0000 173.0081 41 I 5.2362 8.0655 121.8642 60.3815 39.3278 174.7940 42 F 4.9403 8.3825 120.9984 56.0851 43.8633 173.9164 43 V 4.7275 9.0496 123.6574 63.0942 31.8257 176.5719 44 S 4.8653 8.6121 121.2304 59.4436 64.6893 173.5529 45 F 4.8247 7.7679 119.7290 57.3064 42.8530 172.8620 46 I 4.7001 6.2133 122.1199 58.8072 39.7875 175.3329 47 L 4.2536 8.2747 129.4569 55.4237 42.9453 176.5970 48 A 4.3427 8.4948 126.9643 53.9598 18.9772 177.4391 49 G 4.0056 8.7487 111.2920 45.9607 0.0000 173.9780 50 G 3.8978 7.8019 106.6492 43.6383 0.0000 172.1527 51 P 4.1716 0.0000 0.0000 65.5977 30.0981 178.2898 52 A 4.0645 8.2224 120.5652 54.1867 18.1335 178.6624 53 D 4.1868 7.7353 116.0067 56.7174 41.6625 177.9249 54 L 3.9505 8.2602 118.8650 58.2180 41.8409 179.4359 55 S 4.2075 7.8127 112.6546 59.4878 62.8736 174.5277 56 G 3.8667 8.3088 109.4690 46.9932 0.0000 173.5605 57 E 4.4178 7.7771 116.1539 57.1472 32.3891 176.3203 58 L 3.9002 7.3659 121.2137 55.2447 43.0629 176.8346 59 R 4.4279 7.6776 122.6329 53.8204 34.1344 174.4438 60 R 3.8347 8.1322 121.3287 57.3179 30.3113 176.1771 61 G 3.3126 7.5248 112.7671 45.4069 0.0000 173.6848 62 D 4.5669 7.5991 119.8139 54.6621 42.7180 175.8003 63 R 4.1850 8.0639 120.3914 53.2572 31.7582 174.9661 64 I 3.8047 7.9983 127.7243 62.0857 37.3851 175.2012 65 L 4.6122 9.0925 126.4674 55.8837 43.7990 176.5314 66 S 5.5502 7.6300 111.0630 56.3837 67.2391 172.7613 67 V 4.4788 8.0789 119.8885 62.7815 33.3904 174.5959 68 N 4.7362 10.7986 131.9406 52.0898 38.9501 176.4364 69 G 4.6696 6.7468 107.0289 46.1285 0.0000 172.6684 70 V 4.2193 6.8575 119.0282 60.3587 33.7939 174.0542 71 N 4.6544 8.7410 125.8111 53.5130 37.6899 173.6441 72 L 4.6334 8.2908 124.3257 54.3544 42.1800 178.0290 73 R 4.0453 8.1597 120.4130 58.9863 30.4724 176.8050 74 N 5.0726 7.9093 110.9273 51.9330 37.1569 173.2549 75 A 4.8929 7.5253 119.8759 50.7654 22.4803 177.0375 76 T 4.2802 8.7676 111.7690 61.1589 71.2155 175.4565 77 H 4.1812 8.6921 119.5289 59.4975 29.4163 176.1238 78 E 3.8413 8.2624 120.3889 59.6161 29.3312 178.3385 79 Q 4.0915 7.6651 116.4751 59.3470 28.7106 179.4850 80 A 4.0136 8.1681 119.5394 54.5709 18.4800 178.9998 81 A 4.2378 7.7643 118.7724 54.6724 19.3323 179.3914 82 A 3.4662 9.0855 119.7085 55.2412 18.1281 179.4743 83 A 4.0930 8.1344 118.1041 54.3140 18.7851 178.8285 84 L 4.3651 8.6615 118.0131 55.9772 42.1271 178.7875 85 K 4.1197 7.9209 117.1755 58.0351 32.4427 177.7379 86 R 4.3412 7.8042 113.3790 56.4492 30.9639 179.3013 87 A 4.6114 7.0720 123.9227 51.5979 18.6966 174.8987 88 G 3.8415 7.8625 109.1205 46.8827 0.0000 174.0313 89 Q 4.0369 9.0094 123.8675 58.8007 29.9901 175.2906 90 S 4.8766 8.0716 118.7956 57.1501 62.8865 172.3439 91 V 4.1840 8.3119 124.4218 61.4866 33.0615 174.6592 92 T 4.6101 8.4980 124.9272 62.5746 69.6426 173.9412 93 I 4.3917 8.5706 129.6125 59.9366 38.4258 175.9176 94 V 4.8035 8.7992 129.2587 61.0807 31.8962 174.5531 95 A 5.2742 8.2868 129.0412 49.7618 23.3671 174.2037 96 Q 4.7467 8.3055 116.3010 54.2176 31.4019 173.1263 97 Y 4.3417 8.9794 126.1194 57.4361 38.7111 174.9550 98 R 4.7959 8.5518 126.2461 53.0848 30.6990 173.2563 99 P 4.5599 0.0000 0.0000 64.8974 31.6620 177.8873 100 E 3.9682 8.2905 118.4304 59.3029 29.7056 178.1133 101 E 3.9934 8.2105 118.1891 59.1601 29.7313 177.9825 102 Y 3.9911 7.8475 119.5921 60.6954 38.6126 178.4913 103 S 4.0484 7.9357 114.3149 61.5739 62.2785 176.1473 104 R 3.6701 7.6375 120.4770 59.6743 29.5815 178.9993 105 F 4.2370 6.8918 114.9490 60.2786 38.8721 177.0374 106 E 3.9606 7.5766 117.9380 59.5893 29.3786 179.1828 107 S 4.0515 7.7975 113.4871 60.5895 63.4136 171.1971 108 S 3.7887 7.3209 121.9826 57.4946 64.4269 171.9515 109 G 4.1373 8.2304 116.9411 44.2588 0.0000 170.7987 110 P 4.5817 0.0000 0.0000 62.3876 32.5405 176.7401 111 S 4.8356 7.6213 108.0666 58.5857 62.9928 175.6547 112 S 4.3874 8.2587 122.3717 57.5047 61.8841 174.7647 113 G 4.0816 8.6138 112.9808 45.9676 0.0000 171.2021 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 8.34 3.92 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 0.00 0.00 0.00 2 S 8.07 4.29 0.00 4.01 3.80 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 3 S 8.42 4.50 0.00 3.79 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 0.00 4 G 8.23 4.19 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 0.00 5 S 8.11 4.69 0.00 3.79 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 6 S 8.56 4.29 0.00 3.86 3.78 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 0.00 0.00 0.00 7 G 8.11 4.18 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 0.00 0.00 0.00 8 R 8.45 4.20 0.00 1.81 1.87 0.00 3.21 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 9 P 0.00 4.57 0.00 2.17 2.04 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 10 G 8.93 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 11 G 9.08 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.98 4.09 0.00 2.74 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 13 A 7.78 4.53 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 14 R 7.56 4.48 0.00 1.67 1.96 0.00 3.16 0.00 0.00 3.21 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 15 E 8.19 4.30 0.00 1.85 1.93 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 2.32 2.33 0.00 16 P 0.00 4.75 0.00 2.04 2.01 0.00 3.70 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 1.97 1.95 0.00 17 R 9.12 4.77 0.00 1.78 2.04 0.00 2.70 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.77 0.00 18 K 8.48 4.71 0.00 1.63 1.74 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.34 1.42 7.81 19 I 8.24 4.41 1.95 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.65 0.86 0.00 0.00 20 I 8.18 4.45 1.83 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 1.31 0.44 0.78 0.00 0.00 21 L 8.65 4.64 0.00 1.68 1.61 1.24 0.79 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 22 H 8.72 4.91 0.00 3.02 3.27 0.00 5.94 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.15 3.97 0.00 1.74 1.82 0.00 1.64 0.00 0.00 1.52 0.00 0.00 3.05 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.50 1.27 7.81 24 G 8.90 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.30 4.72 0.00 3.95 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 26 T 8.28 4.03 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 1.20 0.00 0.00 27 G 7.13 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.58 4.21 0.00 0.85 1.92 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 29 G 9.38 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 30 F 7.22 5.25 0.00 2.81 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 31 N 9.82 5.09 0.00 3.04 2.89 0.00 0.00 6.76 7.84 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 32 I 8.14 5.24 1.97 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.97 1.21 0.00 0.00 33 V 9.18 4.03 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 0.80 0.00 0.00 -0.14 0.00 0.00 34 G 7.35 4.16 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 0.00 35 G 9.02 4.20 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 36 E 8.38 4.59 0.00 2.10 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 2.35 2.39 0.00 37 D 9.88 4.47 0.00 2.75 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 38 G 8.25 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 0.00 0.00 0.00 39 E 8.75 4.08 0.00 2.07 2.33 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 2.49 2.55 0.00 40 G 8.32 4.34 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.07 5.24 1.95 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 1.39 0.68 0.98 0.00 0.00 42 F 8.38 4.94 0.00 3.19 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.05 4.73 1.86 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 0.81 0.00 0.00 0.62 0.00 0.00 44 S 8.61 4.87 0.00 4.03 4.07 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 45 F 7.77 4.82 0.00 3.15 2.90 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 46 I 6.21 4.70 1.52 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.86 0.82 0.00 0.00 47 L 8.27 4.25 0.00 1.79 1.61 1.05 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.49 4.34 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 49 G 8.75 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 0.00 0.00 0.00 50 G 7.80 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 0.00 0.00 0.00 51 P 0.00 4.17 0.00 2.31 2.34 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 52 A 8.22 4.06 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 53 D 7.74 4.19 0.00 2.87 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 54 L 8.26 3.95 0.00 1.68 1.74 0.93 1.04 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 55 S 7.81 4.21 0.00 4.01 4.12 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 56 G 8.31 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 7.78 4.42 0.00 1.85 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 2.26 2.17 0.00 58 L 7.37 3.90 0.00 1.61 1.51 0.18 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 59 R 7.68 4.43 0.00 1.01 1.30 0.00 3.28 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.56 0.00 60 R 8.13 3.83 0.00 1.59 1.72 0.00 3.46 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.58 0.00 61 G 7.52 3.31 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 0.00 62 D 7.60 4.57 0.00 2.63 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 0.00 0.00 0.00 0.00 63 R 8.06 4.18 0.00 1.45 1.53 0.00 3.10 0.00 0.00 3.29 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.50 0.00 64 I 8.00 3.80 1.76 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.81 0.84 0.00 0.00 65 L 9.09 4.61 0.00 1.71 1.61 0.87 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 66 S 7.63 5.55 0.00 3.82 3.92 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 67 V 8.08 4.48 2.10 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 1.01 0.00 0.00 0.98 0.00 0.00 68 N 10.80 4.74 0.00 2.93 2.99 0.00 0.00 7.07 7.86 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 69 G 6.75 4.67 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 70 V 6.86 4.22 2.08 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 0.96 0.00 0.00 0.97 0.00 0.00 71 N 8.74 4.65 0.00 2.72 2.76 0.00 0.00 7.06 7.77 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 72 L 8.29 4.63 0.00 1.78 1.66 0.93 0.92 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 73 R 8.16 4.05 0.00 2.03 2.04 0.00 3.14 0.00 0.00 3.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 74 N 7.91 5.07 0.00 2.77 2.82 0.00 0.00 5.78 7.27 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 75 A 7.53 4.89 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 76 T 8.77 4.28 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 1.24 0.00 0.00 77 H 8.69 4.18 0.00 3.43 3.34 0.00 5.71 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.26 3.84 0.00 2.06 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 0.00 2.37 2.39 0.00 79 Q 7.67 4.09 0.00 2.50 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.56 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 80 A 8.17 4.01 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 81 A 7.76 4.24 1.33 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 0.00 0.00 82 A 9.09 3.47 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.13 4.09 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 84 L 8.66 4.37 0.00 1.83 1.69 1.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 85 K 7.92 4.12 0.00 1.71 1.85 0.00 1.60 0.00 0.00 1.79 0.00 0.00 3.13 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.46 7.81 86 R 7.80 4.34 0.00 1.91 2.13 0.00 3.12 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 87 A 7.07 4.61 1.36 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 0.00 0.00 0.00 88 G 7.86 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 89 Q 9.01 4.04 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.84 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 90 S 8.07 4.88 0.00 3.79 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 91 V 8.31 4.18 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 0.95 0.00 0.00 0.97 0.00 0.00 92 T 8.50 4.61 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 1.19 0.00 0.00 93 I 8.57 4.39 1.84 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.92 0.55 0.00 0.00 94 V 8.80 4.80 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 0.84 0.00 0.00 0.90 0.00 0.00 95 A 8.29 5.27 1.05 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 96 Q 8.31 4.75 0.00 2.39 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.87 0.00 0.00 0.00 0.00 0.00 2.18 2.30 0.00 97 Y 8.98 4.34 0.00 2.97 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 98 R 8.55 4.80 0.00 2.15 2.04 0.00 3.36 0.00 0.00 3.48 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.79 0.00 99 P 0.00 4.56 0.00 2.43 2.51 0.00 3.84 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 100 E 8.29 3.97 0.00 2.02 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 0.00 2.30 2.42 0.00 101 E 8.21 3.99 0.00 2.26 1.53 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 2.43 2.51 0.00 102 Y 7.85 3.99 0.00 3.33 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 0.00 103 S 7.94 4.05 0.00 4.05 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 0.00 104 R 7.64 3.67 0.00 0.99 1.54 0.00 2.86 0.00 0.00 2.71 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.42 0.00 105 F 6.89 4.24 0.00 2.25 2.61 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 0.00 106 E 7.58 3.96 0.00 1.83 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 0.00 2.40 2.66 0.00 107 S 7.80 4.05 0.00 3.89 3.88 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 0.00 108 S 7.32 3.79 0.00 4.08 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 0.00 109 G 8.23 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 0.00 110 P 0.00 4.58 0.00 2.19 2.09 0.00 3.82 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 111 S 7.62 4.84 0.00 3.95 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.26 4.39 0.00 3.88 3.88 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 0.00 113 G 8.61 4.08 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 0.00 0.00 0.00