NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 5.0806 8.2148 119.3907 56.3811 33.4455 177.0203 4 P 4.2680 0.0000 0.0000 63.7537 32.2593 175.4861 5 S 4.0814 9.0398 114.7838 58.6445 62.4778 171.4361 6 R 3.3384 7.6350 119.5558 58.2801 29.4281 175.3374 7 T 4.0425 7.8912 107.3963 63.0558 71.7072 173.0443 8 V 3.7731 8.5395 127.9735 63.5487 32.0615 175.8360 9 E 4.6601 7.6234 118.5841 53.3073 32.5697 174.6155 10 K 4.4554 8.5629 120.3953 55.5222 33.2929 176.0609 11 H 4.7485 8.6566 119.9931 55.7277 29.7751 176.0325 12 I 3.8575 7.6390 120.4480 64.1186 36.6377 177.0497 13 K 3.9408 7.6552 119.3907 58.3284 32.4364 176.2400 14 T 3.3687 7.1348 112.0135 61.4942 68.0532 173.0939 15 K 4.1402 8.3029 130.2041 55.6395 32.5503 175.0828 16 Y 4.7524 8.2507 124.3448 55.9099 39.6359 174.9677 17 N 4.1542 9.0194 121.2937 54.1300 39.2131 176.5368 18 L 4.0581 8.6047 125.5737 54.2629 40.8354 178.1975 19 G 3.9472 8.7074 105.0704 46.1895 0.0000 174.0260 20 N 4.7235 7.9008 117.9094 51.8598 40.2876 175.8576 21 A 4.0629 8.5262 121.1385 55.5954 18.2446 179.7130 22 N 3.9371 8.0361 114.4903 56.3480 38.3984 176.3596 23 Y 4.1892 7.7045 121.0277 61.0914 38.7698 178.3345 24 R 4.0375 8.3173 118.6967 59.6088 30.1550 178.4115 25 I 3.3753 7.7312 119.5014 64.2851 37.0167 178.1448 26 Q 3.9694 8.6970 121.1095 59.1007 28.9982 178.2238 27 K 3.8950 8.2582 120.9569 59.5878 32.1900 178.6772 28 E 4.2281 8.5473 119.1598 59.0195 29.2731 179.1127 29 L 3.6290 8.2888 120.6977 58.2312 42.2140 178.5557 30 N 4.2715 8.0970 116.4507 56.6188 38.5356 176.9288 31 N 4.3598 8.2027 117.7444 56.4963 38.7799 176.7289 32 F 3.9603 8.0356 121.5469 61.2141 39.5787 176.8472 33 L 4.1784 8.0750 117.8678 57.6506 41.6186 179.0845 34 K 4.1627 8.3434 119.6825 58.0503 33.2580 176.1617 35 N 5.0547 8.2265 114.6732 50.7491 38.7260 172.5019 36 P 3.8139 0.0000 0.0000 61.5742 32.7150 175.2212 37 P 4.2767 0.0000 0.0000 62.0899 31.9979 175.4216 38 I 3.5309 8.1543 121.5911 62.0371 38.8682 174.2551 39 N 4.3563 9.0255 122.5031 54.5331 36.3332 173.0794 40 C 5.7836 7.8719 113.4283 58.3879 31.5640 173.2245 41 T 4.9137 8.5282 110.4384 60.5068 72.4211 171.8113 42 I 4.6198 7.8658 119.9539 60.3800 41.6529 173.4372 43 D 4.2547 8.0817 119.1026 53.7223 44.8927 175.1168 44 V 4.5852 8.2706 119.4696 59.8090 33.7617 175.4081 45 H 4.3661 8.9411 123.8174 55.7063 30.8701 172.9053 46 P 4.5859 0.0000 0.0000 63.8590 31.9302 176.3298 47 S 4.0986 10.4322 115.5409 58.3341 60.9711 169.6402 48 N 4.6163 7.7848 118.6584 53.5075 39.6894 174.5885 49 I 3.8064 8.2470 125.2386 62.9333 38.7722 177.2199 50 R 4.1257 8.2313 118.8925 58.3814 31.2231 176.1637 51 I 4.9728 7.8105 120.9546 59.3669 39.2662 174.9962 52 W 5.2807 9.0855 126.7935 54.9562 33.5365 175.1565 53 I 4.8671 8.3285 121.8016 59.9844 40.4341 174.5185 54 V 4.5339 8.7516 128.1325 61.4899 33.9479 174.3297 55 Q 5.0893 8.5880 127.5343 54.5037 31.8885 173.1708 56 Y 5.2673 9.4872 128.4471 56.0158 41.1003 174.4293 57 V 4.0007 8.3555 128.1025 61.4322 32.3402 175.4906 58 G 3.8417 7.6528 113.5781 45.8914 0.0000 172.2277 59 L 4.4648 8.9924 125.7696 54.8774 42.6497 178.0175 60 E 4.0065 9.1635 123.3207 59.6788 29.5376 178.0331 61 N 4.8758 8.0310 114.2584 53.0583 37.8409 174.5086 62 T 4.7895 7.8520 107.5250 60.5898 71.9887 174.4856 63 I 3.6908 8.3597 115.2114 63.0320 37.6212 176.0238 64 Y 5.0684 8.0131 117.6363 56.7723 38.2102 174.8568 65 A 4.3913 7.9845 122.4924 53.6011 18.6028 177.4398 66 N 4.0017 8.7495 118.0142 53.9480 37.3195 174.1921 67 E 4.3445 7.8231 119.2128 54.3721 30.3897 175.8379 68 V 3.6328 7.9763 125.2521 62.0516 32.0329 175.2619 69 Y 5.0738 8.9879 122.1181 56.0273 42.2793 174.4827 70 K 5.2127 8.9856 120.3216 54.8023 36.0190 175.2132 71 I 4.5951 8.9880 124.2450 59.3927 40.2756 174.7552 72 K 4.5740 8.6046 129.3685 55.5077 34.1442 175.4983 73 I 4.4286 8.4945 125.8069 59.4031 40.8744 174.2510 74 I 4.4787 8.3234 128.3633 59.3786 39.6812 174.8382 75 F 4.4293 8.4566 127.4280 55.1367 39.3204 174.4971 76 P 4.5211 0.0000 0.0000 62.3126 32.0168 175.9087 77 D 4.5051 8.7884 117.2306 57.3298 41.1778 177.9160 78 N 4.9627 7.8701 116.3414 52.6051 38.8058 174.0307 79 Y 4.7694 7.7915 118.6054 56.7034 40.3564 172.4223 80 P 3.7215 0.0000 0.0000 62.4950 31.7174 177.8697 81 L 3.9583 7.9021 120.5922 57.7507 41.7947 177.4722 82 K 4.4735 8.2225 117.9658 53.8266 33.1600 174.9763 83 P 3.2173 0.0000 0.0000 61.6261 31.5599 173.8854 84 P 4.2129 0.0000 0.0000 62.4432 32.6374 176.0917 85 I 4.0203 8.6260 123.6454 60.8252 37.8658 174.9312 86 V 4.5643 7.7567 127.2238 61.0687 33.9470 173.9949 87 Y 4.6617 7.3677 123.0868 56.2268 41.2099 173.3785 88 F 4.8690 8.9045 119.4623 57.6949 40.5079 175.4427 89 L 4.6180 8.8984 122.5421 53.4620 44.1307 175.9023 90 Q 3.5201 8.0614 120.2394 58.1396 28.4046 177.0861 91 K 4.0112 8.7305 128.8774 56.1296 29.1063 173.8376 92 P 4.3222 0.0000 0.0000 61.9654 32.4650 174.6807 93 P 4.2460 0.0000 0.0000 61.4915 32.0213 176.3436 94 K 4.1083 8.5455 121.4623 56.6518 31.3290 175.6589 95 H 4.9348 8.1179 122.6934 54.2288 33.2966 174.0808 96 T 3.6925 8.0531 121.9902 67.2593 68.3527 174.7225 97 H 4.5367 8.2571 115.4341 55.6225 29.1930 174.6375 98 V 4.4303 7.5062 120.2024 61.1010 33.2293 174.5434 99 Y 4.8372 7.8571 123.2789 55.9702 40.3368 176.8938 100 S 4.1831 9.0523 117.8129 62.0755 62.8582 176.2539 101 N 4.4387 8.1163 115.0239 53.8672 37.5896 175.6862 102 G 4.2980 8.6269 107.1416 45.8319 0.0000 173.3790 103 D 4.9368 8.2510 119.5565 55.0628 42.3015 175.4559 104 I 4.7560 8.3096 120.8072 59.8354 40.0301 175.2259 105 C 4.5545 8.9891 128.8847 58.2089 31.3178 172.0770 106 L 4.6071 8.1012 127.1525 52.8749 44.9480 176.5834 107 S 4.1295 9.0767 121.1117 61.6047 62.8793 176.6791 108 V 3.5974 7.9027 119.1643 65.6047 31.1700 176.4042 109 L 4.3227 7.8782 116.9810 55.3168 41.8452 177.1591 110 G 4.1415 7.5348 106.0042 46.7368 0.0000 173.4174 111 D 4.6126 8.8143 123.2554 55.3438 41.9177 176.6804 112 D 4.8974 8.1801 117.6054 53.7374 42.3010 175.6494 113 Y 4.3073 7.6423 120.5338 57.3384 39.5840 174.4885 114 N 4.6822 7.1606 121.5351 50.4995 40.4443 173.9290 115 P 4.6347 0.0000 0.0000 66.0719 31.6198 177.4516 116 S 4.2663 7.6325 110.5660 59.4914 63.4775 174.5087 117 L 4.0799 7.6880 122.6176 54.9790 42.0974 177.0172 118 S 4.9751 8.4108 117.2344 57.0264 65.8005 175.2667 119 I 3.8066 8.6546 126.5288 64.8335 36.9907 178.7777 120 S 4.4769 8.6884 114.6319 61.6978 62.4905 176.8021 121 G 3.5659 8.3360 109.1290 47.3884 0.0000 175.5880 122 L 4.0091 8.4001 122.0653 57.8378 41.7048 179.7906 123 I 3.6560 8.0830 119.7469 64.3317 37.0443 178.3480 124 L 3.9002 8.1287 121.2892 57.9801 41.8676 179.1945 125 S 4.0780 8.4755 115.7200 61.6450 62.7946 176.5704 126 I 3.6513 7.7742 122.4024 64.5584 36.5937 178.5164 127 I 3.3548 7.4271 119.7368 64.2106 37.0264 178.3277 128 S 4.2969 8.0552 114.9205 61.1556 62.7713 176.2175 129 M 4.0392 7.7188 121.5165 58.5714 32.0350 177.8801 130 L 4.2321 7.6225 118.2399 56.5918 41.9704 177.3674 131 S 4.5460 7.7474 117.7745 59.7426 61.8372 174.3427 132 S 5.1022 9.2278 126.2485 58.6079 64.7939 175.9600 133 A 3.5168 8.1063 124.1673 53.0079 17.7073 174.7274 134 K 4.4635 8.2204 116.2364 56.6093 35.3671 176.6746 135 E 4.0601 8.5802 113.9617 56.7683 29.5289 169.8874 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 3 K 8.21 5.08 0.00 1.87 1.92 0.00 1.15 0.00 0.00 2.36 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.42 7.81 4 P 0.00 4.27 0.00 2.13 2.05 0.00 3.79 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.15 0.00 5 S 9.04 4.08 0.00 4.27 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 6 R 7.63 3.34 0.00 1.85 1.79 0.00 3.32 0.00 0.00 3.22 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 7 T 7.89 4.04 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 1.18 0.00 0.00 8 V 8.54 3.77 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 0.76 0.00 0.00 0.92 0.00 0.00 9 E 7.62 4.66 0.00 2.02 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 2.16 2.33 0.00 10 K 8.56 4.46 0.00 1.71 1.76 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.47 7.81 11 H 8.66 4.75 0.00 3.11 3.50 0.00 5.90 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 7.64 3.86 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.45 0.93 0.00 0.00 13 K 7.66 3.94 0.00 1.68 1.72 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.39 7.81 14 T 7.13 3.37 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 1.10 0.00 0.00 15 K 8.30 4.14 0.00 1.69 1.64 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.47 7.81 16 Y 8.25 4.75 0.00 3.11 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 17 N 9.02 4.15 0.00 2.91 2.84 0.00 0.00 7.22 6.66 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 18 L 8.60 4.06 0.00 1.61 1.53 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.71 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 0.00 0.00 0.00 20 N 7.90 4.72 0.00 2.88 2.78 0.00 0.00 6.99 7.54 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 21 A 8.53 4.06 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 22 N 8.04 3.94 0.00 2.41 1.42 0.00 0.00 6.75 7.48 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 23 Y 7.70 4.19 0.00 3.20 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 24 R 8.32 4.04 0.00 2.10 2.19 0.00 3.40 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.01 0.00 25 I 7.73 3.38 1.70 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.26 0.40 0.00 0.00 26 Q 8.70 3.97 0.00 2.19 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 27 K 8.26 3.89 0.00 1.77 1.92 0.00 1.72 0.00 0.00 1.61 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.44 7.81 28 E 8.55 4.23 0.00 2.39 2.32 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 2.70 2.72 0.00 29 L 8.29 3.63 0.00 1.64 1.81 -0.08 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.10 4.27 0.00 2.94 2.87 0.00 0.00 6.75 7.07 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 31 N 8.20 4.36 0.00 2.85 3.07 0.00 0.00 6.88 7.21 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 32 F 8.04 3.96 0.00 3.42 3.13 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 0.00 0.00 0.00 33 L 8.07 4.18 0.00 1.80 1.72 0.88 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.34 4.16 0.00 1.88 1.96 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.47 7.81 35 N 8.23 5.05 0.00 2.58 2.64 0.00 0.00 7.07 7.97 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 36 P 0.00 3.81 0.00 1.94 1.83 0.00 3.59 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.28 0.00 37 P 0.00 4.28 0.00 2.13 1.89 0.00 3.14 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.90 0.00 38 I 8.15 3.53 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.69 0.97 0.00 0.00 39 N 9.03 4.36 0.00 3.30 3.04 0.00 0.00 6.91 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 40 C 7.87 5.78 0.00 2.97 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 41 T 8.53 4.91 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 1.25 0.00 0.00 42 I 7.87 4.62 1.93 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.45 0.85 0.00 0.00 43 D 8.08 4.25 0.00 2.85 2.41 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 44 V 8.27 4.59 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 -0.09 0.00 0.00 0.74 0.00 0.00 45 H 8.94 4.37 0.00 3.27 3.43 0.00 5.58 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 46 P 0.00 4.59 0.00 2.26 2.22 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.94 0.00 47 S 10.43 4.10 0.00 4.23 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 0.00 48 N 7.78 4.62 0.00 2.57 2.55 0.00 0.00 6.86 7.61 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 49 I 8.25 3.81 1.99 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 1.51 0.87 0.74 0.00 0.00 50 R 8.23 4.13 0.00 2.00 2.12 0.00 3.43 0.00 0.00 3.04 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 51 I 7.81 4.97 1.98 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 1.24 0.71 0.96 0.00 0.00 52 W 9.09 5.28 0.00 3.04 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 53 I 8.33 4.87 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.99 0.92 0.00 0.00 54 V 8.75 4.53 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 1.05 0.00 0.00 0.80 0.00 0.00 55 Q 8.59 5.09 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.54 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 56 Y 9.49 5.27 0.00 3.12 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 57 V 8.36 4.00 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 0.68 0.00 0.00 0.87 0.00 0.00 58 G 7.65 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 59 L 8.99 4.46 0.00 2.00 1.87 1.06 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 60 E 9.16 4.01 0.00 2.05 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 2.42 2.34 0.00 61 N 8.03 4.88 0.00 2.84 2.93 0.00 0.00 5.76 7.71 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 62 T 7.85 4.79 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 1.34 0.00 0.00 63 I 8.36 3.69 1.58 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 -0.36 0.87 0.00 0.00 64 Y 8.01 5.07 0.00 3.27 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 65 A 7.98 4.39 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 66 N 8.75 4.00 0.00 2.81 2.85 0.00 0.00 7.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 7.82 4.34 0.00 1.77 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 2.23 2.65 0.00 68 V 7.98 3.63 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 0.56 0.00 0.00 0.88 0.00 0.00 69 Y 8.99 5.07 0.00 3.15 3.03 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 70 K 8.99 5.21 0.00 1.79 1.74 0.00 1.66 0.00 0.00 1.86 0.00 0.00 2.88 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.51 7.81 71 I 8.99 4.60 1.70 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.79 0.51 0.00 0.00 72 K 8.60 4.57 0.00 1.65 1.02 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.98 1.43 7.81 73 I 8.49 4.43 1.40 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 0.84 0.32 -0.36 0.00 0.00 74 I 8.32 4.48 1.75 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.26 0.85 0.00 0.00 75 F 8.46 4.43 0.00 2.61 2.57 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 76 P 0.00 4.52 0.00 2.20 2.09 0.00 3.71 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 2.08 2.11 0.00 77 D 8.79 4.51 0.00 2.71 2.79 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 0.00 0.00 0.00 78 N 7.87 4.96 0.00 2.76 2.80 0.00 0.00 6.74 7.48 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 79 Y 7.79 4.77 0.00 3.01 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 80 P 0.00 3.72 0.00 2.05 1.12 0.00 3.58 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.73 0.00 81 L 7.90 3.96 0.00 1.85 1.78 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.22 4.47 0.00 1.72 1.72 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.38 7.81 83 P 0.00 3.22 0.00 1.47 0.49 0.00 3.67 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 1.75 1.75 0.00 84 P 0.00 4.21 0.00 1.27 1.33 0.00 3.15 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 1.68 1.83 0.00 85 I 8.63 4.02 1.90 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.44 1.13 0.00 0.00 86 V 7.76 4.56 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 0.55 0.00 0.00 0.58 0.00 0.00 87 Y 7.37 4.66 0.00 3.28 2.98 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 88 F 8.90 4.87 0.00 3.18 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 89 L 8.90 4.62 0.00 1.63 1.73 0.96 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 90 Q 8.06 3.52 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.20 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 91 K 8.73 4.01 0.00 1.90 2.19 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.19 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.32 1.59 7.81 92 P 0.00 4.32 0.00 2.02 1.89 0.00 3.76 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 2.29 2.19 0.00 93 P 0.00 4.25 0.00 1.16 0.49 0.00 2.44 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.44 0.00 94 K 8.55 4.11 0.00 1.80 1.86 0.00 1.60 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.49 7.81 95 H 8.12 4.93 0.00 3.08 2.91 0.00 5.71 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.05 3.69 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 0.99 0.00 0.00 97 H 8.26 4.54 0.00 3.20 3.39 0.00 5.58 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 98 V 7.51 4.43 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 0.68 0.00 0.00 0.79 0.00 0.00 99 Y 7.86 4.84 0.00 3.14 2.84 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 0.00 100 S 9.05 4.18 0.00 3.90 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.12 4.44 0.00 2.80 2.95 0.00 0.00 6.26 7.00 0.00 0.00 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 8.63 4.30 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 0.00 103 D 8.25 4.94 0.00 2.90 2.81 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 0.00 0.00 0.00 104 I 8.31 4.76 1.91 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.87 0.95 0.00 0.00 105 C 8.99 4.55 0.00 3.30 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 0.00 106 L 8.10 4.61 0.00 1.69 1.43 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 107 S 9.08 4.13 0.00 4.28 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 0.00 108 V 7.90 3.60 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 0.90 0.00 0.00 0.95 0.00 0.00 109 L 7.88 4.32 0.00 1.81 1.63 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 110 G 7.53 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 0.00 111 D 8.81 4.61 0.00 2.68 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 D 8.18 4.90 0.00 2.69 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 0.00 113 Y 7.64 4.31 0.00 3.28 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 0.00 114 N 7.16 4.68 0.00 2.65 2.66 0.00 0.00 6.15 7.76 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 0.00 115 P 0.00 4.63 0.00 1.94 2.05 0.00 3.55 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.17 0.00 116 S 7.63 4.27 0.00 3.93 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 0.00 117 L 7.69 4.08 0.00 1.65 1.77 0.92 0.72 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 0.00 118 S 8.41 4.98 0.00 4.15 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 0.00 119 I 8.65 3.81 2.27 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.97 0.92 0.00 0.00 120 S 8.69 4.48 0.00 3.87 4.17 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 0.00 121 G 8.34 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 0.00 122 L 8.40 4.01 0.00 1.83 1.73 0.96 0.92 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 0.00 123 I 8.08 3.66 2.18 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.09 0.96 0.00 0.00 124 L 8.13 3.90 0.00 1.78 1.77 0.87 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 0.00 125 S 8.48 4.08 0.00 4.03 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 0.00 126 I 7.77 3.65 1.92 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 1.43 0.81 0.80 0.00 0.00 127 I 7.43 3.35 1.81 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.49 0.51 0.00 0.00 128 S 8.06 4.30 0.00 4.08 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 0.00 129 M 7.72 4.04 0.00 2.16 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 2.65 2.47 0.00 130 L 7.62 4.23 0.00 1.79 1.44 0.81 0.25 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 0.00 131 S 7.75 4.55 0.00 3.99 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 0.00 132 S 9.23 5.10 0.00 3.70 3.67 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 0.00 133 A 8.11 3.52 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 0.00 134 K 8.22 4.46 0.00 1.79 1.79 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 1.30 7.81 135 E 8.58 4.06 0.00 2.18 1.87 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 2.11 1.86 0.00