NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4450 0.0000 0.0000 62.0275 32.7826 176.2401 3 R 3.8679 8.5228 117.8196 57.9658 30.0386 175.4244 4 G 4.2627 7.4883 104.7095 42.7725 0.0000 171.8712 5 S 4.2651 8.4047 113.6838 57.7176 63.5499 173.9616 6 A 4.2729 8.3127 124.3477 51.4402 18.8375 177.5163 7 L 3.9741 8.3200 121.7242 55.6183 42.1254 178.6873 8 S 4.5017 8.9533 119.2123 57.2713 65.5158 174.8932 9 D 4.3293 8.5726 121.1751 57.8686 40.3964 179.3936 10 T 3.8111 7.7434 109.3305 65.0706 68.8512 176.2516 11 E 4.0619 8.1925 121.7346 58.6637 29.3270 179.6929 12 R 3.1511 8.1895 118.5585 58.9419 30.1033 178.5910 13 A 3.9990 8.2810 120.9409 55.4278 18.1834 179.8478 14 Q 3.8424 8.2884 116.5828 59.0725 28.8005 178.4323 15 L 3.9302 7.8206 120.1933 58.3645 41.7079 179.0278 16 D 4.4824 8.7505 118.7455 57.9632 40.6248 179.6754 17 V 3.7089 7.6902 118.6367 64.9862 31.7500 178.0069 18 M 4.1787 8.2709 119.6150 57.9148 31.7859 178.2126 19 K 3.8387 8.2194 119.9574 59.8773 32.1663 178.6952 20 L 4.2848 7.7777 117.1585 57.0719 41.5246 178.5246 21 L 4.4713 7.6331 116.8608 53.1820 42.2144 175.8224 22 N 4.1755 8.4105 115.6403 54.1026 36.7493 174.9075 23 V 3.7929 7.6773 115.9279 62.2504 32.8137 175.3536 24 S 4.4510 8.3549 120.3585 58.0822 64.0311 175.1769 25 L 4.0451 8.4417 119.6487 57.9227 41.3685 179.0340 26 H 4.0676 8.2043 115.6529 59.2297 28.7136 177.5417 27 E 3.9902 8.2661 120.0449 59.5403 29.2144 179.4745 28 M 4.0796 7.9218 118.9035 58.3990 32.1190 178.9777 29 S 4.2259 8.5262 114.8174 61.1581 62.9229 176.7841 30 R 3.8691 7.9794 121.2586 59.3062 30.0021 179.0308 31 K 4.1968 7.9971 116.6867 58.1653 32.0284 177.9107 32 I 4.2467 7.3602 110.1658 59.5823 38.3160 175.6027 33 S 3.7879 7.9375 115.5169 59.8889 60.5678 172.3465 34 R 4.7182 7.3601 115.9980 53.2502 34.5283 176.6742 35 S 4.3399 8.4196 115.8553 58.1948 65.0261 175.5256 36 R 3.8823 8.7167 123.1965 60.3757 29.4517 179.1502 37 H 4.0461 7.9524 117.4942 59.2969 30.3068 176.0584 38 C 4.0840 7.8139 120.5922 62.5341 31.4841 175.1193 39 I 3.6980 7.4078 121.5064 64.7035 36.7630 177.9612 40 R 3.9016 8.2521 119.4777 59.8625 29.9079 178.5822 41 V 3.6397 7.5723 116.7031 65.8599 31.3095 177.3006 42 Y 4.1622 8.0930 119.3151 60.9217 38.4423 178.3161 43 L 3.7142 8.1888 118.7404 57.4911 41.7719 179.3433 44 K 4.1119 7.9633 117.7901 58.7573 33.4877 177.3014 45 D 4.6595 7.2907 115.2513 52.8134 43.3853 173.6794 46 P 3.8135 0.0000 0.0000 64.7892 31.9285 179.6776 47 V 3.6132 7.8189 117.6959 64.8853 31.3780 176.2742 48 S 4.6576 7.8596 111.7268 57.5039 63.3609 172.9880 49 Y 3.9841 7.8824 122.9232 59.7155 38.6592 176.2407 50 G 3.5930 7.9790 114.2855 46.6563 0.0000 173.8071 51 T 4.1225 7.4933 114.5204 61.7120 68.1258 174.3295 52 S 4.4892 7.6626 115.4029 56.1996 62.3961 173.3687 53 K 4.1287 8.4202 128.9235 56.3958 32.6730 175.8595 54 R 4.4940 8.1575 121.2765 53.6793 32.0952 175.9902 55 A 3.9116 8.7471 125.9576 52.0576 18.5805 175.4903 56 P 4.5462 0.0000 0.0000 61.5823 32.4950 175.8129 57 R 4.1678 8.1363 115.4633 56.0027 30.0452 176.0905 58 R 4.3591 8.0396 117.0080 54.7780 31.2023 176.7839 59 K 4.1802 8.3513 119.9564 56.6295 32.7045 176.7495 60 A 4.4439 8.3205 121.1004 52.6970 19.5054 177.3249 61 L 4.8257 7.4805 115.1102 52.1118 45.1569 177.2268 62 S 4.3881 8.4006 117.8605 57.8071 65.1197 175.4407 63 V 3.5631 8.4173 122.3222 66.7998 30.9800 177.8438 64 R 3.8557 8.0524 117.4016 59.5394 29.8941 177.6068 65 D 4.3731 8.2724 118.1725 57.5578 40.9604 178.5381 66 E 3.8640 8.5269 119.8074 59.6597 29.5833 178.8885 67 R 3.8700 8.2062 118.4844 59.5882 30.0230 178.2588 68 N 4.3400 8.6050 116.6622 56.1120 38.6782 177.3883 69 V 3.5730 8.2240 120.0694 66.2117 31.5812 178.1317 70 I 3.6907 7.9214 119.4124 64.4227 36.8328 178.2889 71 R 3.8710 8.0573 119.2737 59.5456 29.7074 178.4145 72 A 3.9794 8.3406 120.3915 54.8295 18.1454 179.1255 73 A 4.2795 7.6502 117.6334 54.3521 19.0379 179.3466 74 S 4.1788 8.5145 111.7754 61.4994 62.4594 175.7459 75 N 4.5200 7.7979 118.7184 54.4744 38.8099 174.9827 76 S 4.8072 7.1839 113.0819 56.6135 65.6284 174.3775 77 C 4.4474 8.3050 122.7634 58.2610 26.4485 173.0523 78 K 4.5927 7.6384 121.5034 54.4210 34.3955 177.3548 79 T 4.1317 8.2582 111.8297 61.1915 70.8233 175.3264 80 A 3.9531 8.5230 123.9153 55.5955 18.3910 179.9368 81 R 3.8066 8.0104 116.4221 59.7662 30.0105 177.7964 82 D 4.3586 8.1317 118.4204 57.6958 40.8122 178.7838 83 I 3.6629 7.7410 119.7449 64.6796 37.2392 178.1498 84 R 3.8684 8.1112 119.2505 59.9328 29.8331 178.2237 85 N 4.5645 8.2825 115.8422 55.9071 38.3049 177.2077 86 E 3.9157 8.3253 121.1323 58.7578 29.8433 177.3153 87 L 4.4166 8.0613 115.9494 53.7187 42.2753 176.8893 88 Q 3.2625 7.4383 116.2003 57.1030 26.3322 174.6577 89 L 4.1550 8.7179 119.4856 55.3056 42.6512 178.3773 90 S 4.0526 8.1931 111.1242 58.9782 61.8229 171.7568 91 A 4.7604 7.3014 120.8575 50.7786 22.2880 177.0728 92 S 4.1993 8.5449 115.0809 58.3343 63.6566 175.2317 93 K 3.7799 8.9385 123.4785 60.1367 31.5979 178.8760 94 R 3.8869 7.9283 118.0780 59.6571 30.0147 178.3750 95 T 3.8405 7.8659 115.5253 66.6707 68.3850 176.3523 96 I 3.6811 7.6093 121.3450 64.6647 37.1082 178.3898 97 L 4.0065 7.7255 119.1839 57.8319 41.3995 179.3576 98 N 4.3012 8.3160 116.6048 56.2173 38.2616 177.5501 99 V 3.5654 7.7550 118.4692 66.1835 31.7204 177.6391 100 I 3.8250 8.0406 119.8928 64.4897 36.8136 178.3950 101 K 3.9888 8.3983 120.5428 59.3973 31.8134 179.0417 102 R 4.0517 7.9362 117.3218 58.3994 29.9119 177.8844 103 S 4.6164 7.4735 114.0334 58.1944 63.0209 174.3465 104 G 4.0402 7.7196 117.3599 45.8523 0.0000 173.8469 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 2 P 0.00 4.44 0.00 2.26 2.09 0.00 3.65 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 1.92 2.11 0.00 3 R 8.52 3.87 0.00 1.90 2.01 0.00 3.32 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 4 G 7.49 4.26 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 0.00 0.00 0.00 5 S 8.40 4.27 0.00 4.00 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 6 A 8.31 4.27 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 7 L 8.32 3.97 0.00 1.15 1.28 0.41 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.95 4.50 0.00 4.02 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 9 D 8.57 4.33 0.00 2.69 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 10 T 7.74 3.81 4.21 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 1.19 0.00 0.00 11 E 8.19 4.06 0.00 1.87 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 2.26 2.32 0.00 12 R 8.19 3.15 0.00 1.59 1.52 0.00 2.51 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.60 0.00 13 A 8.28 4.00 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 14 Q 8.29 3.84 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.64 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 15 L 7.82 3.93 0.00 1.63 1.81 0.63 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.75 4.48 0.00 2.89 2.77 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 0.00 0.00 0.00 0.00 17 V 7.69 3.71 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 0.80 0.00 0.00 0.93 0.00 0.00 18 M 8.27 4.18 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.54 0.00 19 K 8.22 3.84 0.00 1.88 2.16 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.55 7.81 20 L 7.78 4.28 0.00 1.81 1.74 0.93 0.93 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 21 L 7.63 4.47 0.00 1.79 1.68 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.41 4.18 0.00 2.79 2.88 0.00 0.00 6.85 7.64 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 23 V 7.68 3.79 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 0.82 0.00 0.00 0.98 0.00 0.00 24 S 8.35 4.45 0.00 4.07 4.03 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 25 L 8.44 4.05 0.00 1.70 1.70 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 26 H 8.20 4.07 0.00 3.17 3.36 0.00 5.62 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 27 E 8.27 3.99 0.00 2.01 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 2.34 2.51 0.00 28 M 7.92 4.08 0.00 2.10 2.34 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 29 S 8.53 4.23 0.00 4.24 4.27 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 30 R 7.98 3.87 0.00 1.96 2.04 0.00 3.17 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 31 K 8.00 4.20 0.00 1.73 1.87 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.68 1.59 7.81 32 I 7.36 4.25 1.82 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 1.38 0.61 0.95 0.00 0.00 33 S 7.94 3.79 0.00 4.02 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 34 R 7.36 4.72 0.00 1.70 1.73 0.00 3.36 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.48 0.00 35 S 8.42 4.34 0.00 4.08 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 36 R 8.72 3.88 0.00 1.85 1.99 0.00 2.85 0.00 0.00 2.77 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 37 H 7.95 4.05 0.00 3.19 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 C 7.81 4.08 0.00 3.00 3.06 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 39 I 7.41 3.70 2.00 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 1.38 0.40 0.94 0.00 0.00 40 R 8.25 3.90 0.00 2.00 1.99 0.00 3.10 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 1.66 1.68 0.00 41 V 7.57 3.64 2.28 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 1.02 0.00 0.00 0.97 0.00 0.00 42 Y 8.09 4.16 0.00 2.85 2.99 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 43 L 8.19 3.71 0.00 1.61 1.68 0.96 1.09 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 44 K 7.96 4.11 0.00 1.80 1.86 0.00 1.90 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.44 7.81 45 D 7.29 4.66 0.00 2.78 2.46 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 0.00 46 P 0.00 3.81 0.00 2.03 1.31 0.00 3.78 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.68 0.00 47 V 7.82 3.61 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 0.84 0.00 0.00 0.92 0.00 0.00 48 S 7.86 4.66 0.00 4.00 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 49 Y 7.88 3.98 0.00 3.14 3.17 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 50 G 7.98 3.59 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 0.00 51 T 7.49 4.12 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 52 S 7.66 4.49 0.00 3.83 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 53 K 8.42 4.13 0.00 1.74 1.68 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.45 7.81 54 R 8.16 4.49 0.00 1.79 1.80 0.00 3.26 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 55 A 8.75 3.91 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 56 P 0.00 4.55 0.00 2.19 2.08 0.00 3.77 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 1.98 1.94 0.00 57 R 8.14 4.17 0.00 1.94 1.99 0.00 3.02 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 58 R 8.04 4.36 0.00 1.82 1.89 0.00 3.37 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 59 K 8.35 4.18 0.00 1.74 1.77 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.44 7.81 60 A 8.32 4.44 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 61 L 7.48 4.83 0.00 1.59 1.54 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 62 S 8.40 4.39 0.00 4.03 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 63 V 8.42 3.56 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 1.10 0.00 0.00 0.93 0.00 0.00 64 R 8.05 3.86 0.00 1.91 1.88 0.00 3.26 0.00 0.00 3.34 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 65 D 8.27 4.37 0.00 2.87 2.72 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 66 E 8.53 3.86 0.00 2.16 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 0.00 2.31 2.34 0.00 67 R 8.21 3.87 0.00 2.08 2.04 0.00 3.15 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 68 N 8.61 4.34 0.00 2.87 2.84 0.00 0.00 6.64 7.23 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 69 V 8.22 3.57 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 1.03 0.00 0.00 0.96 0.00 0.00 70 I 7.92 3.69 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 0.54 0.91 0.00 0.00 71 R 8.06 3.87 0.00 2.01 2.05 0.00 3.09 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 72 A 8.34 3.98 1.37 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 73 A 7.65 4.28 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 74 S 8.51 4.18 0.00 4.05 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 75 N 7.80 4.52 0.00 2.80 2.83 0.00 0.00 6.74 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 76 S 7.18 4.81 0.00 3.72 3.69 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 77 C 8.30 4.45 0.00 3.00 2.87 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 78 K 7.64 4.59 0.00 1.73 1.71 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.34 7.81 79 T 8.26 4.13 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 1.21 0.00 0.00 80 A 8.52 3.95 1.34 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 81 R 8.01 3.81 0.00 1.89 1.95 0.00 3.20 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 82 D 8.13 4.36 0.00 3.04 2.72 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 83 I 7.74 3.66 2.02 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 0.62 0.91 0.00 0.00 84 R 8.11 3.87 0.00 1.86 2.12 0.00 3.27 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 85 N 8.28 4.56 0.00 3.00 2.84 0.00 0.00 6.70 7.25 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 86 E 8.33 3.92 0.00 2.16 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 0.00 2.32 2.28 0.00 87 L 8.06 4.42 0.00 1.66 1.66 0.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 7.44 3.26 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.40 7.00 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 89 L 8.72 4.15 0.00 1.79 1.70 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 90 S 8.19 4.05 0.00 4.09 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 91 A 7.30 4.76 1.17 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 0.00 0.00 92 S 8.54 4.20 0.00 4.01 4.02 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 93 K 8.94 3.78 0.00 1.84 1.88 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.53 7.81 94 R 7.93 3.89 0.00 1.96 1.90 0.00 3.29 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 95 T 7.87 3.84 4.41 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 1.21 0.00 0.00 96 I 7.61 3.68 2.04 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 1.52 0.57 0.91 0.00 0.00 97 L 7.73 4.01 0.00 1.86 1.72 0.92 1.16 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 98 N 8.32 4.30 0.00 2.83 2.86 0.00 0.00 6.63 7.92 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 99 V 7.76 3.57 2.26 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 0.83 0.00 0.00 1.00 0.00 0.00 100 I 8.04 3.82 1.99 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 0.72 0.91 0.00 0.00 101 K 8.40 3.99 0.00 1.89 1.94 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 102 R 7.94 4.05 0.00 2.02 1.98 0.00 3.20 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 103 S 7.47 4.62 0.00 3.92 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 0.00 104 G 7.72 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 0.00 0.00 0.00