NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4155 8.2931 120.3300 54.5917 32.0647 174.7932 2 G 3.8160 7.8602 108.0129 45.4343 0.0000 171.3876 3 H 4.3484 9.3886 116.5695 58.1855 28.6928 173.0069 4 H 5.0565 7.3850 115.3016 55.3706 31.8813 172.8094 5 H 4.0088 9.0748 114.6421 57.6331 25.7229 175.4464 6 H 4.7086 7.4579 112.6317 54.2306 28.8207 171.8064 7 H 4.3579 8.4591 126.1442 55.2741 28.4209 173.1237 8 H 4.3535 8.4573 124.1934 56.2308 29.1772 173.9982 9 S 4.4512 7.8334 119.9987 58.6250 65.0126 175.5904 10 H 4.4902 8.9050 118.7908 56.8820 28.8455 175.5387 11 M 4.3974 7.3527 112.1675 55.1530 33.2263 173.3092 12 K 4.5457 8.4110 118.1931 53.9574 34.2133 175.6312 13 P 4.4081 0.0000 0.0000 62.3523 33.0197 177.0559 14 L 3.4957 8.3090 120.0206 58.4034 41.8012 178.7166 15 A 4.1986 7.6516 118.5262 55.3448 18.4982 178.9232 16 E 4.1674 7.9207 114.1147 56.9711 30.2460 177.2581 17 Q 3.7131 7.1601 119.7225 55.6939 28.0142 177.2352 18 D 4.2631 8.5473 123.4695 55.9575 39.9325 178.3418 19 W 4.5337 7.6614 116.3682 58.2567 29.4058 175.2285 20 Y 5.5037 6.7537 121.5805 56.4373 37.2901 174.7941 21 H 4.1712 8.6928 122.3450 55.7679 29.4444 176.6298 22 G 3.3782 6.8727 104.5185 44.6607 0.0000 174.6116 23 A 5.3021 8.2552 122.7385 50.7606 19.7211 177.3305 24 I 3.7502 7.6611 112.6356 61.8694 38.1851 174.4932 25 P 4.3566 0.0000 0.0000 62.6395 33.1662 177.2913 26 R 3.8425 8.4606 118.5256 59.7587 29.8447 178.4585 27 I 3.6407 7.7399 118.8540 64.7858 36.8141 177.8718 28 E 3.9095 8.2710 118.2929 59.5986 29.0090 179.3831 29 A 3.9494 7.7095 119.8100 54.8652 18.2806 179.1443 30 Q 4.2479 8.1285 115.8264 58.9260 28.8901 178.2562 31 E 4.1071 8.2939 120.2833 58.7237 29.6037 177.8963 32 L 4.1956 7.3085 117.0794 56.7654 41.1276 177.0480 33 L 4.3698 7.2883 119.5523 54.1828 42.5859 175.9532 34 K 3.9515 8.6187 119.8444 57.6205 34.2710 176.3400 35 K 4.2840 8.1185 118.5371 53.8496 34.7900 174.9382 36 Q 4.7595 8.4646 120.1513 58.8214 28.1738 173.7842 37 G 3.7944 8.8557 122.4875 45.9885 0.0000 172.5098 38 D 4.7726 7.6403 122.1235 54.9613 41.9654 176.2400 39 F 5.7224 8.4831 117.7814 55.0927 41.8629 173.5478 40 L 5.2177 9.0211 120.1206 54.3990 44.5244 174.8040 41 V 5.1719 9.3415 121.7402 61.5621 33.6640 174.8203 42 R 5.1356 9.1847 123.6238 54.5448 33.4784 173.6850 43 E 4.6778 8.6853 120.5259 54.0679 32.1056 174.9358 44 S 3.9632 8.9075 121.5271 58.6295 63.5237 172.9494 45 H 4.3442 8.8983 127.2547 59.1908 28.1122 173.9147 46 G 3.9599 8.3496 113.8878 44.9628 0.0000 172.1984 47 K 4.3277 8.1559 122.0809 53.1764 31.8248 171.1550 48 P 4.8940 0.0000 0.0000 63.6395 31.5055 175.5984 49 G 3.8690 8.1650 114.1237 45.3624 0.0000 172.8181 50 E 4.5324 8.1639 121.6684 55.1953 30.4180 174.2450 51 Y 4.9729 8.8065 125.5209 56.8381 40.0572 174.7134 52 V 4.9183 9.0162 125.2592 61.1542 33.8333 174.1164 53 L 4.9960 9.5675 131.4583 54.6626 43.7010 175.3871 54 S 5.2411 9.5932 123.6767 56.9289 65.0946 173.1828 55 V 5.1232 8.6138 125.1850 59.8261 34.3515 174.2815 56 Y 4.7688 9.1000 126.4839 57.0612 39.7976 173.9895 57 S 4.7274 8.5538 121.2945 57.4907 66.4916 173.6427 58 D 4.2910 9.7431 124.1868 55.3293 38.0094 175.1370 59 G 3.9555 8.4147 107.4675 45.2594 0.0000 173.9753 60 Q 4.2909 7.2549 118.2778 53.7354 31.1895 175.2749 61 R 4.2775 8.0045 119.4331 55.6154 30.3961 176.7609 62 R 3.8814 8.9310 125.7218 55.6521 30.9643 175.6359 63 H 5.1429 8.1954 122.1148 54.2015 30.2050 174.6448 64 F 5.2269 9.2267 122.5241 55.7593 42.4583 174.5028 65 I 5.0861 8.5927 121.2326 59.7444 39.6019 175.4749 66 I 3.9888 8.8827 128.4173 60.6898 37.5305 175.5228 67 Q 4.3626 8.9179 127.6227 55.3902 30.3199 174.9288 68 Y 4.9569 8.7217 125.5526 56.1244 38.9656 174.4830 69 V 4.1365 7.9683 125.6061 61.8407 34.7186 175.2946 70 D 4.4563 9.2111 123.1306 55.0933 38.1796 173.3788 71 N 3.4930 7.6452 113.0596 54.2443 35.8132 173.8464 72 M 4.9342 7.2382 116.0516 53.7216 36.7902 174.3186 73 Y 5.0710 9.2811 121.1519 57.7695 39.5176 174.8741 74 R 4.8450 9.0385 119.2727 55.4303 33.0741 175.2747 75 F 4.5020 9.0341 117.8606 58.9123 40.4496 176.6852 76 E 4.4293 7.7444 122.3777 54.1555 28.8669 173.5179 77 G 3.8819 8.0359 111.4928 45.8728 0.0000 171.3662 78 T 3.9358 8.0296 115.0815 63.2945 69.4334 173.8963 79 G 4.4657 8.5827 112.1200 44.7729 0.0000 171.1695 80 F 4.9795 9.1789 118.1166 55.2233 42.1369 177.1049 81 S 4.4091 9.0980 115.4824 60.6014 62.7861 174.8405 82 N 5.3057 8.0700 116.5326 50.5844 42.7561 175.1366 83 I 3.5030 7.8350 125.6792 63.9321 37.3173 176.8338 84 P 4.7275 0.0000 0.0000 66.4517 30.9019 178.3722 85 Q 4.0324 8.0654 117.1632 58.2396 28.7722 177.8072 86 L 3.1466 8.1897 121.8735 58.1672 42.1291 179.2557 87 I 3.4596 7.8577 119.6473 64.1243 36.9701 177.8522 88 D 4.2838 7.8559 118.8239 57.8648 41.1028 177.9613 89 H 4.1994 8.1027 119.9028 58.9136 29.8623 176.7108 90 H 4.0462 8.1334 120.1748 59.0175 29.6085 176.7843 91 Y 3.8736 8.3943 122.1757 60.9282 38.2681 177.9879 92 T 3.7705 8.1718 110.7660 64.2858 68.6314 175.6180 93 T 4.0712 7.5479 110.5512 60.8180 69.3573 174.5093 94 K 3.5831 7.4173 121.6232 57.2537 31.2577 174.7848 95 Q 4.0977 7.3154 116.4059 54.8358 29.6607 175.9178 96 V 3.9042 7.9171 117.2060 61.0064 31.7792 175.9832 97 I 3.2432 7.8198 125.4826 63.2903 37.5656 175.8643 98 T 4.5590 6.7135 108.0603 59.5037 71.1966 175.4171 99 K 4.2824 8.4318 124.2152 58.7884 32.3937 178.7137 100 K 4.1228 8.2929 117.9671 58.7654 32.3091 177.6151 101 S 4.4378 7.7412 110.6474 58.5674 63.4383 174.2515 102 G 3.6535 8.3722 106.5933 46.6029 0.0000 173.3276 103 V 4.2668 7.4302 117.8031 60.6636 33.6444 174.3982 104 V 4.4312 8.0550 125.5735 60.9308 33.8113 174.5057 105 L 4.2431 8.0301 124.2599 53.0923 42.2748 176.2276 106 L 4.9534 8.5284 122.9799 54.7805 43.4863 176.6795 107 N 4.0323 9.0069 109.8534 53.1392 35.2764 171.2510 108 P 3.4793 0.0000 0.0000 63.0086 32.8870 176.0296 109 I 4.1929 7.5040 122.5529 59.5551 38.2842 174.0490 110 P 4.7830 0.0000 0.0000 62.4068 32.2890 175.3942 111 K 4.4682 7.6753 116.8690 55.1651 35.1324 175.4702 112 D 4.6816 8.4090 120.2941 53.1116 42.9888 176.7589 113 K 4.3133 8.1455 123.6852 55.7020 31.4780 179.3101 114 K 4.2144 7.4643 120.3991 56.5954 30.5700 175.8966 115 W 4.3577 8.4201 121.7088 58.3096 28.9149 177.1443 116 I 3.2419 6.6942 123.8267 61.2892 36.3695 175.5641 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 M 8.29 4.42 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 2 G 7.86 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 3 H 9.39 4.35 0.00 3.09 3.29 0.00 5.64 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 H 7.38 5.06 0.00 3.42 3.29 0.00 5.96 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 H 9.07 4.01 0.00 3.34 3.45 0.00 5.66 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 H 7.46 4.71 0.00 3.20 3.30 0.00 5.55 0.00 0.00 0.00 0.00 6.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.46 4.36 0.00 3.13 3.30 0.00 5.92 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.46 4.35 0.00 3.16 3.28 0.00 6.02 0.00 0.00 0.00 0.00 6.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.83 4.45 0.00 3.83 3.79 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 10 H 8.90 4.49 0.00 3.16 3.35 0.00 5.81 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 M 7.35 4.40 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 12 K 8.41 4.55 0.00 1.75 1.71 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.33 7.81 13 P 0.00 4.41 0.00 2.19 2.15 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 14 L 8.31 3.50 0.00 1.34 1.42 0.46 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.65 4.20 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 16 E 7.92 4.17 0.00 1.89 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 2.28 2.35 0.00 17 Q 7.16 3.71 0.00 1.30 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.84 0.00 0.00 0.00 0.00 0.00 2.24 1.93 0.00 18 D 8.55 4.26 0.00 2.83 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 19 W 7.66 4.53 0.00 3.39 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 20 Y 6.75 5.50 0.00 2.18 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 21 H 8.69 4.17 0.00 2.95 3.23 0.00 5.75 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 6.87 3.38 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 0.00 23 A 8.26 5.30 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 24 I 7.66 3.75 1.83 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 1.41 0.60 0.92 0.00 0.00 25 P 0.00 4.36 0.00 2.21 2.09 0.00 3.65 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.93 0.00 26 R 8.46 3.84 0.00 1.85 1.94 0.00 3.14 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 27 I 7.74 3.64 1.84 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 1.62 0.38 0.90 0.00 0.00 28 E 8.27 3.91 0.00 2.10 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 2.37 2.30 0.00 29 A 7.71 3.95 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 30 Q 8.13 4.25 0.00 2.40 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.64 2.51 0.00 31 E 8.29 4.11 0.00 1.95 2.05 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 2.53 2.45 0.00 32 L 7.31 4.20 0.00 1.57 1.78 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.29 4.37 0.00 1.93 1.71 1.12 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.62 3.95 0.00 1.64 1.70 0.00 1.48 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.29 7.81 35 K 8.12 4.28 0.00 1.92 1.93 0.00 1.51 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.37 7.81 36 Q 8.46 4.76 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.34 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 37 G 8.86 3.79 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 0.00 0.00 0.00 38 D 7.64 4.77 0.00 2.54 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 39 F 8.48 5.72 0.00 3.05 3.09 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 40 L 9.02 5.22 0.00 1.84 1.68 0.69 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 41 V 9.34 5.17 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 1.59 0.00 0.00 1.34 0.00 0.00 42 R 9.18 5.14 0.00 1.98 1.99 0.00 3.02 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 1.78 1.56 0.00 43 E 8.69 4.68 0.00 1.59 1.64 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 1.98 1.58 0.00 44 S 8.91 3.96 0.00 3.96 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 45 H 8.90 4.34 0.00 3.11 3.23 0.00 5.76 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 46 G 8.35 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 47 K 8.16 4.33 0.00 1.78 1.65 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.15 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.41 7.81 48 P 0.00 4.89 0.00 2.08 1.99 0.00 3.75 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 49 G 8.16 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 50 E 8.16 4.53 0.00 2.10 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 2.32 2.37 0.00 51 Y 8.81 4.97 0.00 3.03 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 52 V 9.02 4.92 2.17 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 1.02 0.00 0.00 1.00 0.00 0.00 53 L 9.57 5.00 0.00 2.21 1.95 1.21 0.43 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 54 S 9.59 5.24 0.00 3.84 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 55 V 8.61 5.12 2.25 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 1.05 0.00 0.00 1.17 0.00 0.00 56 Y 9.10 4.77 0.00 3.05 3.09 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 57 S 8.55 4.73 0.00 3.93 3.61 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 58 D 9.74 4.29 0.00 2.81 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 59 G 8.41 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 60 Q 7.25 4.29 0.00 1.92 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.88 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 61 R 8.00 4.28 0.00 1.64 1.72 0.00 3.32 0.00 0.00 3.29 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 62 R 8.93 3.88 0.00 1.65 1.42 0.00 3.09 0.00 0.00 3.06 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 63 H 8.20 5.14 0.00 2.92 3.18 0.00 5.65 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.23 5.23 0.00 3.09 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 65 I 8.59 5.09 2.01 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 1.46 0.71 1.03 0.00 0.00 66 I 8.88 3.99 1.94 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.73 0.80 0.00 0.00 67 Q 8.92 4.36 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.99 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 68 Y 8.72 4.96 0.00 2.81 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 69 V 7.97 4.14 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 0.93 0.00 0.00 0.89 0.00 0.00 70 D 9.21 4.46 0.00 2.72 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 71 N 7.65 3.49 0.00 2.73 2.85 0.00 0.00 6.79 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 72 M 7.24 4.93 0.00 1.77 1.85 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 73 Y 9.28 5.07 0.00 2.88 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 74 R 9.04 4.85 0.00 1.95 1.99 0.00 2.72 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.61 0.00 75 F 9.03 4.50 0.00 2.96 2.96 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 76 E 7.74 4.43 0.00 1.94 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 2.17 2.34 0.00 77 G 8.04 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 0.00 0.00 0.00 78 T 8.03 3.94 4.32 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 0.00 0.00 1.19 0.00 0.00 79 G 8.58 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 9.18 4.98 0.00 3.01 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 81 S 9.10 4.41 0.00 3.89 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 82 N 8.07 5.31 0.00 2.81 2.68 0.00 0.00 7.29 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 83 I 7.83 3.50 1.43 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 -0.36 0.91 0.00 0.00 84 P 0.00 4.73 0.00 2.34 2.37 0.00 3.49 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 2.09 2.08 0.00 85 Q 8.07 4.03 0.00 2.33 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.98 0.00 0.00 0.00 0.00 0.00 2.51 2.44 0.00 86 L 8.19 3.15 0.00 1.85 1.78 1.06 0.95 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 87 I 7.86 3.46 1.05 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 1.39 -0.10 0.02 0.00 0.00 88 D 7.86 4.28 0.00 2.96 2.70 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 89 H 8.10 4.20 0.00 3.24 2.92 0.00 5.88 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 90 H 8.13 4.05 0.00 3.33 3.26 0.00 5.83 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.39 3.87 0.00 2.94 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 92 T 8.17 3.77 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 1.40 0.00 0.00 93 T 7.55 4.07 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 1.06 0.00 0.00 94 K 7.42 3.58 0.00 1.72 1.76 0.00 1.47 0.00 0.00 1.33 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.22 1.26 7.81 95 Q 7.32 4.10 0.00 1.85 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.78 6.66 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 96 V 7.92 3.90 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 0.78 0.00 0.00 0.87 0.00 0.00 97 I 7.82 3.24 1.02 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 1.14 0.21 -0.45 0.00 0.00 98 T 6.71 4.56 4.33 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 1.04 0.00 0.00 99 K 8.43 4.28 0.00 1.71 1.90 0.00 1.56 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.43 7.81 100 K 8.29 4.12 0.00 1.79 1.92 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.66 7.81 101 S 7.74 4.44 0.00 4.13 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 0.00 102 G 8.37 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.43 4.27 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 1.03 0.00 0.00 1.10 0.00 0.00 104 V 8.06 4.43 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 0.77 0.00 0.00 0.86 0.00 0.00 105 L 8.03 4.24 0.00 1.49 1.03 0.39 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 106 L 8.53 4.95 0.00 1.81 1.63 1.04 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 107 N 9.01 4.03 0.00 2.97 3.18 0.00 0.00 6.22 7.85 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 0.00 108 P 0.00 3.48 0.00 1.86 1.40 0.00 3.71 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.67 0.00 109 I 7.50 4.19 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.40 0.92 0.00 0.00 110 P 0.00 4.78 0.00 1.90 1.97 0.00 3.60 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 111 K 7.68 4.47 0.00 1.45 1.25 0.00 1.45 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.25 1.22 7.81 112 D 8.41 4.68 0.00 2.62 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 0.00 113 K 8.15 4.31 0.00 1.96 1.86 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.42 7.81 114 K 7.46 4.21 0.00 1.67 1.75 0.00 1.44 0.00 0.00 1.54 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.35 7.81 115 W 8.42 4.36 0.00 3.60 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 0.00 116 I 6.69 3.24 1.44 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 -0.25 -0.36 0.59 0.00 0.00