NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3296 8.2644 123.6052 51.9878 20.7843 176.3434 2 S 4.2751 7.8816 109.3460 55.5094 63.2528 171.6503 3 I 3.9503 8.4711 120.7236 57.7001 41.5197 172.6932 4 P 4.1230 0.0000 0.0000 62.2394 31.6502 177.1201 5 S 4.3527 8.4087 115.6729 61.1322 63.4890 175.4384 6 S 4.6032 7.6932 109.5444 58.4155 66.2465 174.7497 7 A 4.2699 7.9608 124.5229 52.6908 19.0691 177.6415 8 S 4.4653 8.7112 116.7799 60.8783 64.4312 175.0173 9 V 4.9237 7.7196 118.7984 60.6164 33.7010 173.9568 10 Q 5.0106 9.2818 125.9989 53.9416 33.2725 173.2617 11 L 4.7820 8.5880 124.1078 54.3386 42.3867 175.6771 12 D 4.7991 9.0321 126.8514 56.8939 41.8425 175.8009 13 S 4.8329 8.3626 111.2193 57.9506 66.8048 172.3730 14 Y 5.2772 8.0418 116.7616 56.3912 40.5064 173.2706 15 N 5.2018 9.9063 119.2881 53.2640 43.2453 172.7191 16 Y 5.9067 8.5329 123.2521 57.3394 42.1188 174.1737 17 D 4.5999 8.2075 125.1571 52.8415 40.0618 176.7039 18 G 3.8180 6.3955 108.3601 45.1638 0.0000 174.3837 19 S 4.4824 7.7543 111.8230 59.0470 65.6545 173.7234 20 T 5.0993 9.7543 115.7079 61.5030 71.9226 173.2115 21 F 5.7792 10.1111 128.8147 56.7349 41.7473 174.2269 22 S 3.9986 8.5991 120.0821 56.5762 67.3300 172.9429 23 G 3.5020 5.9705 105.9422 45.8782 0.0000 171.8321 24 K 5.2308 8.2015 119.9557 54.5779 35.9068 175.2303 25 I 5.2170 9.0270 125.0398 59.8030 41.8578 173.8991 26 Y 5.0275 9.0314 123.6678 57.1064 39.6349 174.7297 27 V 4.4725 9.1503 124.6839 60.5923 34.5527 174.3418 28 K 3.9390 8.4979 130.3990 55.9017 32.4720 177.4875 29 N 4.7424 8.8536 128.9399 53.2801 35.7641 174.5417 30 I 3.8462 7.9989 122.0074 63.6483 37.9988 176.0472 31 A 4.5614 7.4363 119.8762 51.1711 21.5791 175.1337 32 Y 4.1349 8.4206 120.2681 60.5579 39.1407 175.6486 33 S 4.2474 7.9654 114.0140 57.4823 63.1697 173.2630 34 K 5.0103 8.3291 125.4822 54.9748 36.9808 175.8989 35 K 4.4656 8.8252 119.7890 55.0841 36.1239 175.7702 36 V 4.8574 8.2350 125.6164 61.1620 34.0352 174.3943 37 T 5.1133 8.8848 117.1365 59.9344 73.2085 172.6829 38 V 4.5654 8.7142 122.1780 61.1711 33.7568 174.2149 39 V 4.8710 8.3019 128.9039 61.5484 32.9704 174.1880 40 Y 5.4828 8.7247 125.1234 55.1911 41.3503 174.7029 41 A 3.4080 8.5548 122.8730 50.8570 20.8306 176.9376 42 D 4.9852 7.8088 120.7491 51.5548 41.9480 177.3680 43 G 3.8159 8.8210 107.0618 48.4421 0.0000 174.3627 44 S 4.5700 7.9930 111.8483 57.4520 63.3813 173.1179 45 D 4.0591 7.9106 117.9664 55.8915 39.7326 172.9227 46 N 4.7593 8.2527 116.6854 51.5489 39.8836 175.1353 47 W 4.1377 8.7976 124.7883 57.1500 29.9646 175.7765 48 N 3.7989 8.9176 116.3055 54.9636 37.4545 172.6674 49 N 4.1885 9.1201 108.6748 55.3396 37.0555 172.6623 50 N 4.4269 8.2766 108.6060 54.3651 37.4735 176.3557 51 G 3.7023 7.8545 107.0150 46.8392 0.0000 174.5642 52 N 4.5309 7.8159 117.9468 52.1948 38.6719 173.6827 53 I 5.0726 8.1748 123.6141 59.2741 40.8779 175.1619 54 I 4.6425 8.6171 126.2343 59.3527 39.9831 174.6917 55 A 4.6224 8.8693 129.3270 51.6700 19.1206 176.3178 56 A 5.0733 9.0473 124.4247 50.7143 21.4226 176.5058 57 S 4.8982 9.0157 115.6215 56.2455 66.8621 173.5229 58 F 2.9331 7.7641 125.1576 58.2584 38.8700 174.4120 59 S 4.1745 8.2933 121.7248 58.6130 63.5417 174.1233 60 G 3.7971 6.1019 106.3226 45.1494 0.0000 170.4247 61 P 5.0323 0.0000 0.0000 62.1106 33.1772 175.9373 62 I 4.3260 7.9908 122.1766 59.2733 37.6513 175.7581 63 S 4.1824 8.5070 121.3070 59.5801 63.3896 174.6993 64 G 3.9983 9.9157 112.4720 45.1701 0.0000 172.1864 65 S 4.7535 7.5480 112.8699 57.1354 66.4705 172.9861 66 N 4.9486 8.7647 115.3590 53.7192 39.8797 173.2363 67 Y 5.1043 7.6445 115.3358 56.1471 41.6375 173.9391 68 E 4.7498 9.0166 116.5585 56.1686 33.7460 173.8051 69 Y 5.2248 8.6621 119.0219 56.6879 39.6264 175.1502 70 W 5.1232 9.2517 124.4818 55.1516 32.5592 175.0092 71 T 5.3073 9.2340 112.1598 60.2826 72.3474 172.4184 72 F 5.2533 8.4467 115.5470 56.0107 41.4721 173.1446 73 S 4.8282 8.2996 113.5761 57.4344 65.2190 172.7586 74 A 4.5230 8.7369 124.3664 51.4138 23.1345 174.9534 75 S 5.2968 8.7545 115.0482 57.2288 63.6594 173.9326 76 V 4.5852 8.4923 119.2481 60.4081 35.2080 174.3355 77 K 4.3335 9.0365 124.9000 56.8878 33.0765 176.5393 78 G 4.0609 7.8427 106.6412 43.5858 0.0000 171.7566 79 I 4.4685 7.9746 124.3125 59.8939 41.1042 173.7320 80 K 4.4603 8.4695 127.0647 57.6854 34.5525 175.7703 81 E 5.1282 7.6127 115.6407 55.9114 32.9845 173.9404 82 F 5.7974 9.0628 114.8027 56.5902 41.9303 172.1601 83 Y 5.5424 9.4670 117.1659 56.0590 42.1796 173.5030 84 I 5.0774 9.1578 119.5456 59.3976 40.6686 174.9406 85 K 5.0150 8.9546 126.6703 54.7559 35.5915 174.1003 86 Y 5.1881 8.8708 127.3677 56.0302 42.1283 173.5144 87 E 4.9741 9.3647 127.4666 54.5318 31.9980 175.5707 88 V 4.5443 8.3293 123.6350 60.8134 35.2940 174.5604 89 S 3.7618 9.7966 116.0286 59.4576 61.7425 173.2953 90 G 3.8178 8.4462 106.0287 46.6270 0.0000 173.6942 91 K 4.3909 7.9995 119.6061 54.2969 34.8307 174.8465 92 T 4.5751 7.5776 109.1233 60.2601 70.7535 172.9575 93 Y 4.8719 8.4656 123.5783 56.3783 41.5749 174.2909 94 Y 5.4263 8.6121 117.1457 56.7926 42.9335 174.6899 95 D 4.9693 9.7451 121.4359 52.5975 43.4946 175.0895 96 N 4.6104 8.7574 122.0281 51.4513 38.5326 174.5534 97 N 3.8849 8.4626 115.0121 56.0870 37.5101 173.4066 98 N 4.2630 8.6938 110.7115 54.9306 37.9235 174.7228 99 S 3.7833 8.9659 110.6015 58.7751 61.9039 171.6951 100 A 4.1312 7.7901 122.0166 51.4340 19.1230 178.1272 101 N 4.1220 8.1106 114.8216 52.5331 38.5354 172.4475 102 Y 4.5575 8.3124 115.8985 56.6494 39.7779 175.6812 103 Q 4.8566 8.6874 122.8942 54.6496 30.9063 175.0267 104 V 4.5953 8.1983 122.6863 61.2864 33.1586 175.7620 105 S 4.6997 8.8640 122.4000 57.3719 65.0772 174.2024 106 T 4.3144 8.3011 115.9735 63.8655 68.3993 175.1174 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 A 8.26 4.33 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 2 S 7.88 4.28 0.00 3.96 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 3 I 8.47 3.95 1.24 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 1.26 0.55 0.91 0.00 0.00 4 P 0.00 4.12 0.00 1.42 1.77 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.12 0.00 5 S 8.41 4.35 0.00 3.98 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 6 S 7.69 4.60 0.00 3.99 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 7 A 7.96 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 8 S 8.71 4.47 0.00 3.58 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.72 4.92 2.14 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 0.86 0.00 0.00 0.98 0.00 0.00 10 Q 9.28 5.01 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.54 0.00 11 L 8.59 4.78 0.00 2.03 1.68 1.08 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 12 D 9.03 4.80 0.00 1.58 2.48 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 0.00 0.00 0.00 0.00 13 S 8.36 4.83 0.00 3.81 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 14 Y 8.04 5.28 0.00 3.09 3.15 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 15 N 9.91 5.20 0.00 2.66 2.57 0.00 0.00 6.71 7.05 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 16 Y 8.53 5.91 0.00 3.29 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 17 D 8.21 4.60 0.00 2.67 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 18 G 6.40 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 19 S 7.75 4.48 0.00 3.77 3.76 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 20 T 9.75 5.10 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 1.22 0.00 0.00 21 F 10.11 5.78 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 22 S 8.60 4.00 0.00 3.49 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 23 G 5.97 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.20 5.23 0.00 1.62 1.64 0.00 1.26 0.00 0.00 1.20 0.00 0.00 2.13 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.23 1.22 7.81 25 I 9.03 5.22 2.02 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 1.40 1.14 1.07 0.00 0.00 26 Y 9.03 5.03 0.00 3.13 2.82 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 27 V 9.15 4.47 2.24 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 0.04 0.00 0.00 0.51 0.00 0.00 28 K 8.50 3.94 0.00 1.56 1.66 0.00 1.75 0.00 0.00 1.42 0.00 0.00 2.64 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.19 0.67 7.81 29 N 8.85 4.74 0.00 2.91 2.82 0.00 0.00 7.30 8.12 0.00 0.00 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 I 8.00 3.85 1.89 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 1.14 0.57 0.91 0.00 0.00 31 A 7.44 4.56 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 32 Y 8.42 4.13 0.00 2.89 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.97 4.25 0.00 4.03 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 34 K 8.33 5.01 0.00 1.54 1.91 0.00 1.98 0.00 0.00 1.88 0.00 0.00 3.35 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.56 1.72 7.81 35 K 8.83 4.47 0.00 1.66 1.66 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.39 7.81 36 V 8.24 4.86 1.59 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 0.89 0.00 0.00 -0.26 0.00 0.00 37 T 8.88 5.11 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 1.23 0.00 0.00 38 V 8.71 4.57 1.73 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 0.65 0.00 0.00 -0.20 0.00 0.00 39 V 8.30 4.87 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 0.00 0.00 1.09 0.00 0.00 0.77 0.00 0.00 40 Y 8.72 5.48 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 41 A 8.55 3.41 0.09 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 0.00 0.00 42 D 7.81 4.99 0.00 2.67 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 43 G 8.82 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 44 S 7.99 4.57 0.00 3.95 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 45 D 7.91 4.06 0.00 2.69 2.69 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 46 N 8.25 4.76 0.00 2.66 2.91 0.00 0.00 7.30 8.50 0.00 0.00 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 W 8.80 4.14 0.00 3.49 3.30 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 48 N 8.92 3.80 0.00 2.85 2.73 0.00 0.00 6.95 6.71 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 49 N 9.12 4.19 0.00 2.85 2.81 0.00 0.00 7.32 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 50 N 8.28 4.43 0.00 2.96 2.96 0.00 0.00 6.78 7.32 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 51 G 7.85 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 0.00 0.00 0.00 52 N 7.82 4.53 0.00 2.04 1.42 0.00 0.00 6.92 7.33 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 53 I 8.17 5.07 1.91 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 1.36 0.52 0.94 0.00 0.00 54 I 8.62 4.64 1.87 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.16 1.04 0.00 0.00 55 A 8.87 4.62 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 0.00 0.00 0.00 56 A 9.05 5.07 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.02 4.90 0.00 3.71 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 58 F 7.76 2.93 0.00 1.51 2.37 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 59 S 8.29 4.17 0.00 3.64 3.75 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 60 G 6.10 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.03 0.00 2.18 2.26 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 62 I 7.99 4.33 1.97 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.18 0.92 0.00 0.00 63 S 8.51 4.18 0.00 4.01 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 64 G 9.92 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 0.00 0.00 0.00 65 S 7.55 4.75 0.00 4.12 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 66 N 8.76 4.95 0.00 2.77 2.61 0.00 0.00 6.74 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 7.64 5.10 0.00 2.85 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 68 E 9.02 4.75 0.00 2.33 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 2.74 2.73 0.00 69 Y 8.66 5.22 0.00 2.70 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 70 W 9.25 5.12 0.00 3.31 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 71 T 9.23 5.31 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 1.07 0.00 0.00 72 F 8.45 5.25 0.00 2.99 3.08 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 73 S 8.30 4.83 0.00 3.69 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 74 A 8.74 4.52 1.33 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 0.00 0.00 0.00 75 S 8.75 5.30 0.00 3.92 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 76 V 8.49 4.59 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 0.57 0.00 0.00 0.85 0.00 0.00 77 K 9.04 4.33 0.00 1.75 1.87 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.46 7.81 78 G 7.84 4.06 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 0.00 0.00 0.00 79 I 7.97 4.47 1.24 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.61 0.03 0.00 0.00 80 K 8.47 4.46 0.00 1.83 1.67 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.43 7.81 81 E 7.61 5.13 0.00 2.13 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 0.00 2.19 2.16 0.00 82 F 9.06 5.80 0.00 3.32 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.47 5.54 0.00 3.30 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 84 I 9.16 5.08 2.12 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.19 1.04 0.00 0.00 85 K 8.95 5.01 0.00 2.00 1.62 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.75 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.14 0.97 7.81 86 Y 8.87 5.19 0.00 2.85 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 87 E 9.36 4.97 0.00 1.83 1.73 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 2.08 2.13 0.00 88 V 8.33 4.54 1.72 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 0.31 0.00 0.00 0.98 0.00 0.00 89 S 9.80 3.76 0.00 4.11 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 90 G 8.45 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 91 K 8.00 4.39 0.00 1.81 1.10 0.00 1.40 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.23 1.17 7.81 92 T 7.58 4.58 3.86 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 1.04 0.00 0.00 93 Y 8.47 4.87 0.00 2.90 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 94 Y 8.61 5.43 0.00 2.85 2.92 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 95 D 9.75 4.97 0.00 3.23 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 96 N 8.76 4.61 0.00 2.76 2.85 0.00 0.00 5.93 6.96 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 97 N 8.46 3.88 0.00 1.44 2.35 0.00 0.00 6.97 6.59 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 98 N 8.69 4.26 0.00 2.80 2.75 0.00 0.00 7.37 7.63 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 99 S 8.97 3.78 0.00 3.95 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 0.00 100 A 7.79 4.13 1.19 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 0.00 0.00 0.00 101 N 8.11 4.12 0.00 3.02 3.24 0.00 0.00 6.83 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 0.00 102 Y 8.31 4.56 0.00 1.43 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 0.00 0.00 0.00 103 Q 8.69 4.86 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.70 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 104 V 8.20 4.60 1.83 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 0.58 0.00 0.00 0.76 0.00 0.00 105 S 8.86 4.70 0.00 4.08 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 0.00 106 T 8.30 4.31 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 1.27 0.00 0.00