NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.4536 8.1844 120.6420 54.9254 43.1198 175.4914 8 H 4.8186 8.6121 121.0190 53.9450 32.7553 171.1020 9 K 4.6205 9.3078 126.1381 55.9042 33.8005 175.5658 10 E 4.8674 9.1241 123.0207 53.7954 33.5084 173.8168 11 P 4.9483 0.0000 0.0000 63.0022 32.2026 175.3586 12 A 4.9384 8.4623 122.7016 51.1314 23.0641 175.5847 13 T 4.5908 8.5710 115.4893 61.1801 71.7643 173.7970 14 L 4.1762 8.7511 128.7213 56.0795 42.2366 175.5788 15 I 4.3656 8.7551 126.6817 62.2695 38.8427 176.3596 16 K 4.2807 7.6503 119.3297 55.1920 34.8964 174.4456 17 A 4.2629 8.6512 130.0212 52.1356 19.1754 176.2901 18 I 4.2504 8.4509 124.2589 62.6637 38.6134 175.1976 19 D 4.6260 7.3263 117.0270 52.6618 41.3568 174.5967 20 G 3.8478 9.0370 106.7239 48.2296 0.0000 173.9489 21 D 4.9170 8.1152 116.5258 52.8770 40.4905 175.0665 22 T 5.7512 7.8349 116.0731 60.6775 73.2834 172.6948 *24 K 4.6516 8.3748 123.4130 56.6220 33.7033 174.4819 25 L 5.3070 9.4619 126.0389 53.1999 46.7752 175.0865 26 M 4.8988 9.2783 121.8602 54.7639 33.6516 174.2128 27 Y 5.0899 9.1713 127.9652 56.2030 42.2278 175.5445 28 K 3.6871 9.5169 125.9606 57.2584 29.8299 175.9951 29 G 4.0704 8.6772 107.6821 44.6656 0.0000 173.9546 30 Q 4.9198 7.9128 117.4532 53.2729 31.8458 173.4219 31 P 5.0577 0.0000 0.0000 63.4893 32.3286 175.4007 32 M 4.9304 9.4799 122.0388 54.2028 37.1682 173.5499 33 T 4.7909 8.4726 116.4597 61.0033 69.6230 173.2357 34 F 5.0805 8.8943 126.2803 55.6281 42.1695 174.1155 35 R 5.0613 8.8862 122.5359 54.2074 32.7355 174.8230 36 L 4.4645 8.7136 127.2059 54.7317 41.7895 177.3009 37 L 3.9949 8.7806 123.8861 55.1673 43.0385 177.1983 38 L 4.1405 8.6587 118.3083 54.5273 39.5935 174.0757 39 V 5.0508 7.4031 109.1022 60.1729 36.6649 174.7022 40 D 4.8579 8.9200 121.6518 53.6535 43.8985 174.3473 41 T 4.6645 8.6002 116.8262 59.7561 70.4348 173.3151 42 P 4.4512 0.0000 0.0000 62.6320 32.2746 176.1039 43 E 4.1867 9.1193 122.7455 56.5843 30.0459 177.3126 44 T 4.6936 8.3399 111.9715 60.6782 70.7893 173.7640 45 K 4.0876 8.2629 120.1567 56.2788 33.9585 175.9326 46 H 3.7298 8.6884 120.3683 55.6653 30.6001 173.3346 47 P 4.2448 0.0000 0.0000 65.4679 31.3513 178.3029 48 K 4.1171 8.3880 117.5093 57.9766 32.3961 177.1070 49 K 4.3165 7.5187 116.5276 55.6317 34.4861 177.3186 50 G 3.6843 8.2483 107.0307 44.3357 0.0000 172.5620 51 V 4.0891 8.0649 119.9092 62.2049 31.4860 176.5168 52 E 4.3782 9.2919 128.7296 55.1673 31.1911 176.3965 53 K 3.9570 8.3079 123.3417 58.2067 32.6383 176.8023 54 Y 4.5624 8.0945 122.5893 59.4309 36.1876 171.2725 55 G 3.6568 8.0810 107.5592 47.6459 0.0000 174.2754 56 P 4.3187 0.0000 0.0000 64.7193 31.3205 178.7733 57 E 3.9723 8.1639 116.9824 59.3683 29.5480 178.9068 58 A 4.0259 8.7016 121.1261 55.3365 18.0986 179.7525 59 S 4.0680 8.3111 113.4253 61.7845 62.8718 176.9125 60 A 4.0272 8.0539 123.3251 54.9603 18.1485 179.3354 61 F 3.9392 8.4980 119.2777 61.7859 39.3487 177.4316 62 T 3.9050 8.0795 115.1817 66.5005 68.2538 176.2629 63 K 3.8931 8.1832 121.5162 59.5939 32.2058 178.5848 64 K 3.8165 8.0723 118.4932 59.7919 31.8050 178.8043 65 M 3.8373 7.5456 116.6117 58.8689 32.5751 178.2932 66 V 3.8454 8.1180 112.3017 63.6583 31.6428 178.2711 67 E 4.1272 8.2594 117.6624 58.5263 29.5591 177.1963 68 N 4.6532 7.8870 113.7673 52.8768 38.9382 175.0011 69 A 4.5738 7.2334 120.9651 51.6589 19.4690 178.1128 70 K 4.2590 8.9903 120.4758 57.9518 32.9378 177.9786 71 K 4.7425 8.3511 117.2969 54.4933 36.3074 175.7619 72 I 5.0824 8.3645 123.8839 59.6473 40.8958 174.2938 73 E 5.1511 9.0398 124.0236 54.8130 34.1152 174.7918 74 V 4.6020 8.9213 116.2549 59.5319 35.0232 174.7946 75 E 4.9698 8.8754 124.4581 54.4660 32.1211 174.9059 76 F 4.6461 8.8761 125.5897 57.6311 40.1592 175.6442 77 D 5.0095 8.5056 120.6199 53.4309 43.1814 175.9340 78 K 4.4662 8.7618 117.6578 57.3651 34.0084 177.7729 79 G 4.2054 8.4190 110.8109 45.0984 0.0000 174.0947 80 Q 4.1036 8.6486 122.6003 56.4892 29.3186 176.7921 81 R 4.5499 8.4445 118.0179 56.6125 31.0602 176.0420 82 T 5.5681 7.6297 106.4572 58.8692 71.9786 173.0421 83 D 4.7757 8.1858 122.7152 51.3111 41.6875 177.0381 84 K 3.6825 8.3607 117.4504 59.8517 32.1640 177.0604 85 Y 4.3380 7.9732 115.0596 57.6007 37.9231 175.9872 86 G 3.8925 8.2950 107.8994 45.7557 0.0000 173.8695 87 R 4.3229 8.3409 119.4592 54.9699 31.7246 176.3430 88 G 3.2869 8.2671 111.3458 46.0562 0.0000 172.4327 89 L 5.2913 8.9959 125.3029 53.4559 42.8425 175.5162 90 A 4.4528 8.3559 124.3645 51.2267 23.7582 173.6959 91 Y 4.8653 8.8594 117.0055 56.8065 39.9254 175.4418 92 I 4.8205 8.4278 124.9948 59.6649 40.1579 174.1136 93 Y 5.0963 9.0725 124.2860 56.0880 40.7780 174.5493 94 A 4.7230 9.2143 126.1209 50.0894 21.2331 176.3257 95 D 4.2733 9.7358 125.1895 56.1081 38.9498 175.5710 96 G 3.9553 8.3289 104.2767 45.5244 0.0000 173.3705 97 K 4.5109 7.9990 120.6120 54.6081 33.7889 175.3186 98 M 4.0429 8.5572 123.4412 55.0510 32.9382 176.7596 99 V 3.6145 8.6094 127.8629 66.1248 31.5856 177.4986 100 N 4.3174 8.0587 115.6810 56.4615 38.4858 176.8151 101 E 3.8866 8.1127 119.7020 59.0525 29.7249 178.0578 102 A 4.0497 8.1250 121.0207 55.5233 18.3764 179.6283 103 L 3.5398 7.9969 117.0167 57.8256 41.6684 179.9956 104 V 3.7176 7.4938 118.2782 66.0737 31.2652 177.9730 105 R 3.8792 8.2446 117.6493 59.2247 29.9602 177.5748 106 Q 4.2593 7.5657 115.1659 55.1024 29.1735 175.8986 107 G 3.8157 8.1563 108.8547 46.8942 0.0000 174.7177 108 L 4.5445 7.6933 117.1370 53.9862 42.4811 176.3327 109 A 4.7044 7.4910 118.8484 50.8838 22.2466 175.8328 110 K 4.8843 8.3872 118.3588 54.3317 35.7002 176.0031 111 V 4.3326 8.9253 123.7156 63.0380 31.9866 175.0609 112 A 4.3657 8.6089 128.5739 50.1079 23.3725 174.5748 113 Y 3.2902 7.3936 113.5908 59.0934 35.1304 174.0326 114 V 3.7921 7.0918 118.2577 61.9964 30.9607 172.9084 115 Y 4.9456 7.7977 123.1445 55.6839 39.7088 175.9819 116 K 4.5755 8.6610 124.3926 55.7800 33.0118 174.5981 117 P 4.7636 0.0000 0.0000 63.2165 31.9751 177.0014 118 N 4.9412 7.8893 117.4647 52.6888 37.1180 175.2175 119 N 5.1811 7.6576 111.2349 52.9784 39.0398 177.1942 120 T 3.8219 8.4057 118.3258 67.7689 68.7552 174.7738 121 H 4.8595 8.0661 115.6819 55.7272 29.1365 176.3847 122 E 3.9849 8.6021 123.1997 59.8995 29.2717 179.1855 123 Q 3.9832 8.0711 117.3175 58.9094 28.7478 178.0622 124 H 4.1422 8.1733 118.9037 59.4402 30.0911 177.2726 125 L 3.9651 8.0734 120.6998 57.6577 41.3384 179.8476 126 R 3.9126 8.2331 118.7630 59.0357 30.0979 179.1450 127 K 3.9251 8.2346 118.7963 60.1547 32.4392 179.4052 128 S 4.1230 7.8669 115.9357 61.1300 62.6206 176.1872 129 E 3.9383 8.1890 122.0946 58.9839 29.3129 178.6505 130 A 3.7030 8.0217 121.0485 55.0178 18.4151 179.4221 131 Q 3.8095 7.8744 117.3615 59.2152 29.1001 178.2942 132 A 4.0181 7.8759 121.8180 54.9562 18.3997 179.7842 133 K 3.4405 7.7692 117.1316 59.3730 31.8400 179.2348 134 K 3.7798 7.8943 118.7771 59.3724 32.0743 177.5144 135 E 4.3436 7.9050 115.3055 54.8994 30.1511 175.9845 136 K 4.2186 8.3000 117.2993 56.1155 30.5301 175.5388 137 L 4.2311 8.5136 118.4053 55.9400 44.4403 178.4281 138 N 3.4076 9.3099 118.2139 53.9214 38.4119 176.5211 139 I 3.2831 5.4200 129.2180 64.4347 37.3372 176.5927 140 W 4.9034 8.2088 118.8982 56.4026 29.2582 176.5820 141 S 4.4390 8.3190 119.9114 58.4397 62.6812 173.9318 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 7 L 8.18 4.45 0.00 1.73 1.81 1.02 0.84 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 8 H 8.61 4.82 0.00 3.23 3.21 0.00 5.72 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 9 K 9.31 4.62 0.00 1.52 1.59 0.00 1.66 0.00 0.00 0.89 0.00 0.00 2.41 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.14 1.21 7.81 10 E 9.12 4.87 0.00 2.09 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 2.46 2.49 0.00 11 P 0.00 4.95 0.00 1.97 2.00 0.00 3.74 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 2.05 2.11 0.00 12 A 8.46 4.94 1.14 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 13 T 8.57 4.59 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 1.22 0.00 0.00 14 L 8.75 4.18 0.00 1.65 1.58 0.92 1.10 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 15 I 8.76 4.37 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.02 0.94 0.00 0.00 16 K 7.65 4.28 0.00 1.69 1.66 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.43 7.81 17 A 8.65 4.26 1.26 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 18 I 8.45 4.25 2.07 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 1.48 0.83 0.91 0.00 0.00 19 D 7.33 4.63 0.00 2.75 2.64 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 0.00 0.00 0.00 0.00 20 G 9.04 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 0.00 0.00 0.00 21 D 8.12 4.92 0.00 2.91 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 22 T 7.83 5.75 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 1.27 0.00 0.00 *24 K 8.37 4.65 0.00 1.91 1.77 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.47 1.67 7.81 25 L 9.46 5.31 0.00 1.64 1.49 0.30 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.28 4.90 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 27 Y 9.17 5.09 0.00 3.20 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 0.00 28 K 9.52 3.69 0.00 1.16 1.60 0.00 1.10 0.00 0.00 0.61 0.00 0.00 3.06 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.00 1.24 7.81 29 G 8.68 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 0.00 0.00 0.00 30 Q 7.91 4.92 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 7.17 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 31 P 0.00 5.06 0.00 2.15 2.15 0.00 3.79 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 2.03 2.03 0.00 32 M 9.48 4.93 0.00 1.84 2.22 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.47 0.00 33 T 8.47 4.79 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 1.22 0.00 0.00 34 F 8.89 5.08 0.00 3.02 2.88 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 35 R 8.89 5.06 0.00 1.84 1.73 0.00 3.35 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00 36 L 8.71 4.46 0.00 1.58 1.60 0.94 1.25 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 37 L 8.78 3.99 0.00 0.97 1.22 0.31 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.66 4.14 0.00 1.96 1.78 1.15 1.14 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 39 V 7.40 5.05 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 0.78 0.00 0.00 1.02 0.00 0.00 40 D 8.92 4.86 0.00 2.88 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 41 T 8.60 4.66 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 1.19 0.00 0.00 42 P 0.00 4.45 0.00 2.18 2.08 0.00 3.68 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 2.16 2.06 0.00 43 E 9.12 4.19 0.00 2.06 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 2.33 2.45 0.00 44 T 8.34 4.69 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 1.22 0.00 0.00 45 K 8.26 4.09 0.00 1.82 1.61 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.36 7.81 46 H 8.69 3.73 0.00 3.15 3.17 0.00 5.68 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 47 P 0.00 4.24 0.00 2.18 2.08 0.00 3.34 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 48 K 8.39 4.12 0.00 1.85 1.84 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.43 7.81 49 K 7.52 4.32 0.00 1.80 1.80 0.00 1.83 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.32 7.81 50 G 8.25 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.06 4.09 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 0.79 0.00 0.00 0.97 0.00 0.00 52 E 9.29 4.38 0.00 1.91 1.82 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 2.30 2.40 0.00 53 K 8.31 3.96 0.00 1.64 1.48 0.00 1.32 0.00 0.00 0.61 0.00 0.00 2.43 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.18 1.18 7.81 54 Y 8.09 4.56 0.00 3.21 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 55 G 8.08 3.66 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 0.00 0.00 0.00 56 P 0.00 4.32 0.00 2.16 2.11 0.00 3.57 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 57 E 8.16 3.97 0.00 2.30 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 0.00 2.57 2.51 0.00 58 A 8.70 4.03 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 59 S 8.31 4.07 0.00 4.07 3.96 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 0.00 0.00 0.00 60 A 8.05 4.03 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.50 3.94 0.00 3.28 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 62 T 8.08 3.91 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 1.30 0.00 0.00 63 K 8.18 3.89 0.00 1.95 1.97 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.57 7.81 64 K 8.07 3.82 0.00 1.76 1.73 0.00 1.72 0.00 0.00 1.53 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.73 1.54 7.81 65 M 7.55 3.84 0.00 2.01 1.82 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 66 V 8.12 3.85 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 0.81 0.00 0.00 1.00 0.00 0.00 67 E 8.26 4.13 0.00 2.01 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 2.33 2.40 0.00 68 N 7.89 4.65 0.00 2.76 2.80 0.00 0.00 6.94 7.34 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 69 A 7.23 4.57 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 70 K 8.99 4.26 0.00 1.89 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.39 7.81 71 K 8.35 4.74 0.00 1.68 1.64 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.38 7.81 72 I 8.36 5.08 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 1.33 1.24 0.85 0.00 0.00 73 E 9.04 5.15 0.00 1.93 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 2.20 2.27 0.00 74 V 8.92 4.60 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 0.54 0.00 0.00 75 E 8.88 4.97 0.00 2.21 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 2.53 2.43 0.00 76 F 8.88 4.65 0.00 3.08 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 77 D 8.51 5.01 0.00 2.71 2.97 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 78 K 8.76 4.47 0.00 1.92 1.96 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.43 7.81 79 G 8.42 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 0.00 0.00 0.00 0.00 80 Q 8.65 4.10 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 81 R 8.44 4.55 0.00 1.67 1.64 0.00 2.77 0.00 0.00 2.57 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.46 0.00 82 T 7.63 5.57 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 1.14 0.00 0.00 83 D 8.19 4.78 0.00 2.92 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 84 K 8.36 3.68 0.00 1.51 1.76 0.00 1.05 0.00 0.00 1.43 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.08 0.29 7.81 85 Y 7.97 4.34 0.00 3.09 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 86 G 8.29 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 87 R 8.34 4.32 0.00 2.08 1.78 0.00 3.10 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 88 G 8.27 3.29 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 0.00 89 L 9.00 5.29 0.00 1.55 1.64 0.96 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 90 A 8.36 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.86 4.87 0.00 3.03 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.43 4.82 1.77 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.54 0.86 0.00 0.00 93 Y 9.07 5.10 0.00 2.92 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 94 A 9.21 4.72 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 95 D 9.74 4.27 0.00 2.79 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 96 G 8.33 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.00 4.51 0.00 1.92 1.77 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.58 7.81 98 M 8.56 4.04 0.00 1.95 1.73 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.41 0.00 99 V 8.61 3.61 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 1.03 0.00 0.00 0.95 0.00 0.00 100 N 8.06 4.32 0.00 2.91 2.94 0.00 0.00 7.00 8.03 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 0.00 101 E 8.11 3.89 0.00 2.00 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 0.00 2.26 2.28 0.00 102 A 8.12 4.05 1.63 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 0.00 0.00 103 L 8.00 3.54 0.00 1.85 1.64 1.02 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.49 3.72 2.19 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 1.09 0.00 0.00 0.98 0.00 0.00 105 R 8.24 3.88 0.00 1.98 2.11 0.00 3.33 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 106 Q 7.57 4.26 0.00 1.52 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.35 0.00 0.00 0.00 0.00 0.00 2.28 1.83 0.00 107 G 8.16 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 0.00 108 L 7.69 4.54 0.00 1.34 1.52 0.54 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.49 4.70 1.15 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 0.00 110 K 8.39 4.88 0.00 1.71 1.77 0.00 1.57 0.00 0.00 1.34 0.00 0.00 2.64 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.13 7.81 111 V 8.93 4.33 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 0.76 0.00 0.00 0.95 0.00 0.00 112 A 8.61 4.37 0.81 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 0.00 0.00 113 Y 7.39 3.29 0.00 2.96 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.09 3.79 2.02 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 0.81 0.00 0.00 0.88 0.00 0.00 115 Y 7.80 4.95 0.00 3.10 2.78 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 0.00 116 K 8.66 4.58 0.00 1.81 1.79 0.00 1.79 0.00 0.00 1.80 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.49 7.81 117 P 0.00 4.76 0.00 2.22 2.16 0.00 3.80 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 1.99 2.01 0.00 118 N 7.89 4.94 0.00 3.02 2.89 0.00 0.00 6.94 8.09 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 0.00 119 N 7.66 5.18 0.00 2.86 3.00 0.00 0.00 6.12 7.38 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 0.00 120 T 8.41 3.82 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 1.09 0.00 0.00 121 H 8.07 4.86 0.00 2.98 3.15 0.00 5.63 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.60 3.98 0.00 2.15 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 2.33 2.39 0.00 123 Q 8.07 3.98 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 124 H 8.17 4.14 0.00 3.22 3.49 0.00 5.87 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 0.00 125 L 8.07 3.97 0.00 1.89 1.72 1.07 0.85 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 0.00 126 R 8.23 3.91 0.00 2.01 1.93 0.00 3.12 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 127 K 8.23 3.93 0.00 1.94 2.04 0.00 1.29 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.57 7.81 128 S 7.87 4.12 0.00 3.92 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 0.00 129 E 8.19 3.94 0.00 2.14 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 2.01 2.49 0.00 130 A 8.02 3.70 1.28 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 0.00 0.00 0.00 131 Q 7.87 3.81 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.02 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 132 A 7.88 4.02 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 0.00 0.00 0.00 0.00 0.00 133 K 7.77 3.44 0.00 1.52 1.40 0.00 0.61 0.00 0.00 0.86 0.00 0.00 2.42 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.30 0.21 7.81 134 K 7.89 3.78 0.00 1.87 1.97 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.41 1.44 7.81 135 E 7.90 4.34 0.00 1.99 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 2.28 2.45 0.00 136 K 8.30 4.22 0.00 1.86 2.01 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.51 7.81 137 L 8.51 4.23 0.00 1.75 1.71 0.91 0.64 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 0.00 138 N 9.31 3.41 0.00 2.42 1.42 0.00 0.00 6.93 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 0.00 139 I 5.42 3.28 0.99 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 -0.09 -0.59 0.00 0.00 140 W 8.21 4.90 0.00 3.52 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 0.00 141 S 8.32 4.44 0.00 3.96 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 * Residues marked with a * may have inaccurate shift predictions.