NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.4248 8.3149 122.0578 56.5131 33.6591 175.7944 4 C 4.8507 8.4645 124.6519 54.2043 41.0060 171.4017 5 S 4.8567 9.2881 120.4549 56.2865 63.8217 174.0460 6 L 4.0526 8.4659 126.3078 56.8037 42.0713 177.6660 7 T 3.8363 7.3234 115.7881 64.1544 69.0305 173.0956 8 G 3.6165 7.8838 111.6768 43.7616 0.0000 171.8119 9 K 5.0962 8.1055 118.1543 54.4808 34.7242 175.8861 10 W 5.5045 9.2827 123.1516 55.3566 33.7275 174.3969 11 T 5.3353 9.3435 118.8803 61.9226 72.4747 172.6729 12 N 5.9770 8.7222 120.8874 49.8248 40.4066 174.9099 13 N 4.4342 8.7183 115.0663 54.9297 37.4558 175.5852 14 L 4.2698 8.0899 117.8808 54.7799 42.1677 177.4071 15 G 3.9727 8.1893 107.7481 44.8077 0.0000 174.1421 16 S 4.5391 7.8995 115.5742 58.5377 64.5633 173.0770 17 I 5.2681 8.4396 122.2639 59.7800 40.7394 174.5933 18 M 5.1338 9.1333 122.4914 53.8019 35.2374 174.2151 19 T 4.9697 8.9285 116.7525 62.0405 72.0531 172.8381 20 I 4.6867 8.8105 127.9814 59.8461 39.7523 176.3757 21 R 4.7014 8.5348 126.2077 54.9353 32.6365 175.8297 22 A 4.0315 8.5293 121.8130 52.5486 18.8224 177.3992 23 V 4.2312 8.2073 122.5220 61.7645 32.4883 175.8704 24 N 4.8056 8.7954 125.4921 51.7003 38.8945 175.9995 25 S 4.1311 8.5183 113.3781 61.5335 62.8426 175.9277 26 R 4.1119 8.1253 117.0089 56.7197 30.4763 177.2677 27 G 4.4451 8.3893 106.7010 46.1089 0.0000 173.0479 28 E 4.7397 8.4291 120.1879 56.2416 30.7568 175.9246 29 F 5.2191 8.5187 117.1808 55.8512 42.0015 172.8449 30 T 5.0699 8.6729 113.7347 60.2129 71.7533 172.5887 31 G 3.9177 7.3083 108.8084 45.9620 0.0000 171.7363 32 T 5.2576 7.9052 108.5078 60.1006 72.8904 172.4649 33 Y 4.8910 9.2289 123.5580 55.9335 42.4487 173.5985 34 L 4.9385 8.9581 129.7112 53.5098 43.7524 175.2432 35 T 4.6898 8.9782 120.9909 61.7219 68.1216 174.5530 36 A 4.2559 8.7615 130.9229 53.7520 19.0022 178.1318 37 V 4.4009 7.3722 107.5384 59.7470 35.0973 174.5899 38 A 4.2980 8.0596 123.8588 50.9122 22.0435 176.3212 39 A 4.0729 8.6645 122.4181 55.0225 18.4539 178.3038 40 N 4.8829 7.7337 116.2323 50.1968 39.2516 173.1798 41 P 4.1695 0.0000 0.0000 65.0570 31.7639 179.6586 42 G 3.5964 7.9642 107.1026 48.0630 0.0000 173.8526 43 N 4.5451 7.7532 115.3975 53.6474 39.0799 175.6651 44 I 2.0000 6.8793 120.6495 60.9563 37.4946 175.4692 45 T 4.7069 7.4120 113.6345 59.0177 71.9027 173.1740 46 L 4.2588 8.6235 124.3962 56.1974 42.5957 176.3696 47 S 5.0921 9.1633 121.1461 56.0303 67.4531 171.7329 48 P 5.1121 0.0000 0.0000 62.5506 32.8509 174.8744 49 L 5.3567 8.6661 121.0888 54.2171 44.3229 175.0211 50 L 4.7297 8.7421 121.4937 54.1015 46.0147 175.0822 51 G 4.1353 7.9990 111.9625 45.6370 0.0000 171.3204 52 I 5.2377 8.3705 119.4821 59.4847 41.5237 175.1313 53 Q 5.4197 9.3591 124.3040 54.5145 31.7971 175.0121 54 H 4.6580 8.9748 117.5323 56.0268 29.5079 175.6073 55 K 4.4405 8.5633 120.6928 58.2182 33.6144 178.3757 56 R 4.0676 8.0400 116.1297 58.6535 30.4112 177.3196 57 A 4.1942 7.7900 119.7019 51.9562 19.0804 177.6257 58 S 4.3239 8.8112 117.9042 61.1155 63.4602 173.7402 59 Q 5.1755 7.8062 117.7094 52.1315 28.1149 173.5086 60 P 4.4998 0.0000 0.0000 62.8230 33.5076 177.3520 61 T 4.7492 8.4330 118.5551 63.8512 70.3891 173.0679 62 F 5.3309 8.2069 117.2199 56.6044 41.9183 172.9349 63 G 4.7325 9.4276 105.5655 45.2002 0.0000 171.7043 64 F 5.5378 9.1232 115.3631 55.8084 42.1042 172.9686 65 T 4.9917 9.0369 116.8780 61.8739 71.3518 173.4779 66 V 4.4236 8.8142 126.3154 61.3005 33.5557 174.0858 67 H 4.3183 8.3035 129.0852 54.4914 29.8163 174.6838 68 W 4.3044 7.4458 126.7812 56.8879 28.9544 176.5931 69 N 4.7306 9.3526 122.0740 53.9392 38.3743 175.5231 70 F 4.9845 7.3938 111.5606 56.1353 38.9168 174.0001 71 S 4.5329 7.1550 114.4696 57.7099 65.6499 173.2872 72 E 4.3004 8.5042 117.5530 56.7383 29.1839 176.8033 73 S 4.8769 7.7445 116.5179 58.2095 65.1866 173.2078 74 T 4.9457 8.8216 116.8337 62.3235 72.8723 173.3414 75 T 5.1737 8.4081 121.2914 61.8529 72.1855 173.4113 76 V 4.8724 8.5929 118.0969 59.5744 35.0531 174.6532 77 F 5.2840 8.8505 122.8244 56.0000 42.1802 174.3163 78 T 4.7120 8.8160 116.3193 60.6990 71.3949 173.8983 79 G 4.4613 6.6872 111.6303 45.9184 0.0000 171.4648 80 Q 4.8037 7.6380 119.1954 54.3957 33.0068 175.6112 81 C 5.1451 9.0039 126.0730 55.6812 46.3442 172.1646 82 F 5.2775 9.2464 125.3663 55.8744 41.6856 174.6708 83 I 5.0874 8.9987 123.4493 59.7373 39.2342 175.8230 84 D 4.7902 9.0035 128.1444 51.9647 41.1285 177.1042 85 R 4.0182 8.4603 114.3858 58.4561 29.5553 176.7889 86 N 4.6239 8.5810 115.1782 52.9507 38.8007 175.8560 87 G 3.9421 8.3652 107.0922 45.0838 0.0000 173.7414 88 K 4.2160 8.0309 121.3546 55.8981 33.1614 174.9775 89 E 5.3246 8.6898 124.9545 55.0175 31.9868 174.9286 90 V 4.9053 8.9336 123.1956 61.2278 35.2015 174.0347 91 L 5.0343 9.1784 128.1570 53.6679 43.3560 175.5973 92 K 5.1311 9.1124 124.9553 55.2605 33.8516 175.9350 93 T 5.3823 9.2564 114.9749 60.2464 72.7025 172.7763 94 M 5.4807 9.0970 121.7906 53.4416 36.1620 174.6852 95 W 5.4923 8.4923 117.1794 54.8284 32.4842 173.7161 96 L 5.3141 8.8513 120.4252 52.9615 44.7795 175.2230 97 L 4.9633 9.3632 126.4154 53.4719 44.2612 174.9271 98 R 4.8365 9.1144 128.7464 55.3085 31.2104 175.7101 99 S 4.9223 8.7824 123.2961 56.9937 64.3963 173.9438 100 S 4.3918 8.4794 117.5863 58.0852 62.7450 173.7947 101 V 4.4672 8.1589 119.4090 59.2277 34.5842 175.5820 102 N 4.4838 8.5857 119.0698 56.3825 38.7824 174.7469 103 D 4.6536 7.7589 115.2825 51.1293 42.1924 175.7825 104 I 3.8249 8.3010 118.4565 63.7988 37.5694 177.4879 105 S 4.2235 8.2679 114.2815 60.6267 63.1654 174.9122 106 Y 4.6462 7.8612 119.0796 57.9351 38.1025 176.5600 107 D 4.3939 8.1106 121.1936 57.1290 41.0209 178.0844 108 W 4.3446 8.4507 115.4749 58.6993 28.0279 176.5698 109 K 3.6900 6.5786 114.8857 56.0847 32.0847 176.6099 110 A 4.1817 7.7316 122.3921 53.1903 19.0193 177.0249 111 T 5.0604 7.5763 112.4856 61.7374 71.0337 173.8819 112 R 4.8060 9.0790 126.2304 54.7226 32.7801 175.8805 113 V 4.4140 7.7170 119.8004 60.3801 34.7893 175.1180 114 G 3.2600 6.1075 107.1727 45.8015 0.0000 171.2568 115 Y 5.5300 8.1839 116.9744 55.6083 41.6007 174.6239 116 N 5.2326 9.4767 115.3573 52.3970 43.9776 173.3514 117 N 5.7898 9.5401 120.2907 51.7195 41.3586 173.7568 118 F 5.6890 9.7060 122.5181 56.0128 42.4555 174.5440 119 T 5.5123 9.0800 111.6332 59.7524 72.6623 173.5278 120 R 3.8079 8.4394 120.9175 55.5947 30.8326 176.9632 121 L 3.9865 8.3825 124.5607 57.7425 42.3268 177.0513 122 S 4.2823 7.6840 115.6435 58.2008 62.4165 173.2218 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 8.31 4.42 0.00 1.80 1.79 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.51 7.81 4 C 8.46 4.85 0.00 3.05 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 5 S 9.29 4.86 0.00 3.85 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 L 8.47 4.05 0.00 0.91 0.91 0.36 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.32 3.84 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 1.20 0.00 0.00 8 G 7.88 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.11 5.10 0.00 1.56 1.62 0.00 1.55 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.36 7.81 10 W 9.28 5.50 0.00 3.21 3.22 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 11 T 9.34 5.34 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 1.24 0.00 0.00 12 N 8.72 5.98 0.00 2.26 1.42 0.00 0.00 6.64 6.29 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 13 N 8.72 4.43 0.00 2.90 3.06 0.00 0.00 5.92 7.79 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 14 L 8.09 4.27 0.00 1.79 1.73 0.93 0.75 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 15 G 8.19 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 0.00 0.00 0.00 16 S 7.90 4.54 0.00 3.90 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 17 I 8.44 5.27 1.83 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 1.28 0.79 0.89 0.00 0.00 18 M 9.13 5.13 0.00 1.63 2.06 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 19 T 8.93 4.97 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 1.18 0.00 0.00 20 I 8.81 4.69 1.94 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.55 0.51 0.00 0.00 21 R 8.53 4.70 0.00 1.79 1.91 0.00 3.18 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 22 A 8.53 4.03 1.25 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 0.00 0.00 0.00 23 V 8.21 4.23 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 0.94 0.00 0.00 0.85 0.00 0.00 24 N 8.80 4.81 0.00 3.00 2.98 0.00 0.00 6.57 7.53 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 25 S 8.52 4.13 0.00 3.89 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 0.00 26 R 8.13 4.11 0.00 1.96 1.97 0.00 3.36 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 27 G 8.39 4.45 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 0.00 28 E 8.43 4.74 0.00 2.04 1.79 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 2.26 2.23 0.00 29 F 8.52 5.22 0.00 3.00 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 30 T 8.67 5.07 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 1.22 0.00 0.00 31 G 7.31 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 32 T 7.91 5.26 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 1.23 0.00 0.00 33 Y 9.23 4.89 0.00 2.96 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 34 L 8.96 4.94 0.00 1.78 1.53 0.98 0.57 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 35 T 8.98 4.69 4.84 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 1.19 0.00 0.00 36 A 8.76 4.26 1.32 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 0.00 0.00 0.00 37 V 7.37 4.40 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 0.70 0.00 0.00 0.86 0.00 0.00 38 A 8.06 4.30 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 39 A 8.66 4.07 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 40 N 7.73 4.88 0.00 2.81 2.72 0.00 0.00 6.82 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 41 P 0.00 4.17 0.00 2.14 2.23 0.00 3.65 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.92 0.00 42 G 7.96 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.75 4.55 0.00 2.90 2.94 0.00 0.00 7.02 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 44 I 6.88 2.00 1.57 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.03 0.76 0.00 0.00 45 T 7.41 4.71 4.35 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 1.28 0.00 0.00 46 L 8.62 4.26 0.00 1.73 1.72 0.99 0.89 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 47 S 9.16 5.09 0.00 4.00 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 48 P 0.00 5.11 0.00 2.08 2.16 0.00 3.95 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.93 0.00 49 L 8.67 5.36 0.00 1.89 1.74 0.83 0.06 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 50 L 8.74 4.73 0.00 1.68 1.41 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.00 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 52 I 8.37 5.24 1.86 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 1.18 0.84 0.90 0.00 0.00 53 Q 9.36 5.42 0.00 2.23 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.96 0.00 0.00 0.00 0.00 0.00 2.52 2.40 0.00 54 H 8.97 4.66 0.00 3.19 3.32 0.00 5.82 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.56 4.44 0.00 1.76 1.86 0.00 1.95 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.48 7.81 56 R 8.04 4.07 0.00 1.83 2.00 0.00 3.23 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 57 A 7.79 4.19 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 58 S 8.81 4.32 0.00 3.93 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 59 Q 7.81 5.18 0.00 1.88 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.98 0.00 0.00 0.00 0.00 0.00 2.30 2.21 0.00 60 P 0.00 4.50 0.00 2.22 2.32 0.00 3.69 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.30 0.00 61 T 8.43 4.75 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 1.21 0.00 0.00 62 F 8.21 5.33 0.00 3.50 3.24 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 63 G 9.43 4.73 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 0.00 0.00 0.00 64 F 9.12 5.54 0.00 3.19 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 65 T 9.04 4.99 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 1.15 0.00 0.00 66 V 8.81 4.42 1.13 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 -0.49 0.00 0.00 0.76 0.00 0.00 67 H 8.30 4.32 0.00 3.12 3.10 0.00 6.01 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 68 W 7.45 4.30 0.00 2.90 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 0.00 0.00 0.00 69 N 9.35 4.73 0.00 2.92 3.02 0.00 0.00 6.84 7.14 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 70 F 7.39 4.98 0.00 3.18 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 71 S 7.16 4.53 0.00 3.82 3.63 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 72 E 8.50 4.30 0.00 1.94 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 2.25 2.24 0.00 73 S 7.74 4.88 0.00 3.80 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 74 T 8.82 4.95 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 1.14 0.00 0.00 75 T 8.41 5.17 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 0.78 0.00 0.00 76 V 8.59 4.87 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 0.71 0.00 0.00 0.90 0.00 0.00 77 F 8.85 5.28 0.00 1.59 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 78 T 8.82 4.71 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 1.14 0.00 0.00 79 G 6.69 4.46 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 0.00 0.00 0.00 80 Q 7.64 4.80 0.00 1.85 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.92 0.00 0.00 0.00 0.00 0.00 1.34 2.25 0.00 81 C 9.00 5.15 0.00 3.00 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 82 F 9.25 5.28 0.00 3.08 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 83 I 9.00 5.09 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.69 0.97 0.00 0.00 84 D 9.00 4.79 0.00 2.92 2.89 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 85 R 8.46 4.02 0.00 1.96 2.12 0.00 3.03 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 86 N 8.58 4.62 0.00 2.87 2.90 0.00 0.00 7.10 7.20 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 87 G 8.37 3.94 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 0.00 0.00 0.00 88 K 8.03 4.22 0.00 1.84 2.06 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.50 7.81 89 E 8.69 5.32 0.00 2.17 2.18 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 2.45 2.37 0.00 90 V 8.93 4.91 2.34 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 1.35 0.00 0.00 1.09 0.00 0.00 91 L 9.18 5.03 0.00 1.73 1.69 -0.80 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 92 K 9.11 5.13 0.00 2.02 1.95 0.00 1.97 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.76 1.80 7.81 93 T 9.26 5.38 4.73 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 1.63 0.00 0.00 94 M 9.10 5.48 0.00 1.81 1.92 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.62 0.00 95 W 8.49 5.49 0.00 2.70 2.15 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 96 L 8.85 5.31 0.00 1.60 1.60 0.90 0.39 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 97 L 9.36 4.96 0.00 1.69 1.81 0.92 0.60 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 98 R 9.11 4.84 0.00 1.94 1.92 0.00 3.34 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 99 S 8.78 4.92 0.00 3.70 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 0.00 100 S 8.48 4.39 0.00 3.86 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 0.00 101 V 8.16 4.47 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 0.72 0.00 0.00 1.03 0.00 0.00 102 N 8.59 4.48 0.00 2.72 2.92 0.00 0.00 6.74 8.06 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 0.00 103 D 7.76 4.65 0.00 2.92 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 0.00 104 I 8.30 3.82 1.90 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 1.72 1.35 0.92 0.00 0.00 105 S 8.27 4.22 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 0.00 106 Y 7.86 4.65 0.00 3.17 2.91 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 0.00 107 D 8.11 4.39 0.00 2.91 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 0.00 108 W 8.45 4.34 0.00 3.64 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 0.00 109 K 6.58 3.69 0.00 0.96 0.74 0.00 1.26 0.00 0.00 1.30 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.79 0.89 7.81 110 A 7.73 4.18 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 0.00 111 T 7.58 5.06 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 0.00 112 R 9.08 4.81 0.00 1.98 2.04 0.00 3.13 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 113 V 7.72 4.41 1.92 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 0.57 0.00 0.00 0.73 0.00 0.00 114 G 6.11 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 0.00 0.00 0.00 115 Y 8.18 5.53 0.00 3.08 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 0.00 116 N 9.48 5.23 0.00 3.22 2.55 0.00 0.00 7.27 6.24 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 0.00 117 N 9.54 5.79 0.00 2.78 2.89 0.00 0.00 6.70 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 0.00 118 F 9.71 5.69 0.00 2.78 3.11 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 0.00 0.00 0.00 0.00 119 T 9.08 5.51 4.37 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 1.38 0.00 0.00 120 R 8.44 3.81 0.00 1.53 1.47 0.00 2.89 0.00 0.00 2.65 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.75 0.00 121 L 8.38 3.99 0.00 1.50 1.57 0.90 1.03 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 0.00 122 S 7.68 4.28 0.00 3.76 3.58 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 0.00 0.00 0.00