NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6401 8.3049 120.6030 55.2923 32.8886 173.9292 2 E 3.8321 9.2472 126.1188 55.9967 30.2090 175.7196 3 H 4.6198 9.0177 122.6594 54.3489 29.0139 173.6027 4 V 4.2859 7.9239 121.0434 60.5851 34.4141 174.8485 5 A 4.5133 8.4142 129.8564 50.7214 19.7625 176.1478 6 F 3.2204 8.6350 124.1609 59.6577 39.6319 175.4605 7 G 3.6110 7.7553 115.1963 45.3354 0.0000 173.4434 8 S 4.1277 7.4353 116.2990 58.2051 63.2848 175.3924 9 E 3.9826 8.7936 124.9244 58.6252 29.7939 177.0674 10 D 4.9686 7.7769 117.5516 53.7030 41.8160 177.6388 11 I 3.5422 7.5715 122.4788 64.3702 37.4614 177.2617 12 E 4.1040 8.0980 116.9781 59.3828 29.5718 178.5965 13 N 4.5230 8.2057 117.5040 56.5411 38.2315 177.5538 14 T 3.8888 7.7810 116.6258 66.5067 68.5596 176.0601 15 L 4.2009 8.2618 119.1722 55.8647 41.5560 178.8007 16 A 4.2459 7.7158 121.2490 54.1354 18.4114 178.7145 17 K 4.3090 7.5665 114.6637 56.6577 33.6481 176.5206 18 M 4.3379 7.1868 120.9556 54.8045 33.1068 176.6028 19 D 4.8283 8.3626 123.4378 52.9454 43.8908 177.0278 20 D 4.5669 8.6877 120.0307 57.0845 38.8387 178.5744 21 G 3.7251 8.0378 106.5279 47.6570 0.0000 175.5481 22 Q 4.1317 8.0451 119.7191 58.3608 28.7422 178.3213 23 L 4.0282 8.0340 120.3007 57.6485 41.4292 178.4780 24 D 4.7721 7.7485 115.3983 55.3186 40.8882 176.8998 25 G 3.9671 7.6523 108.6248 44.9870 0.0000 173.7664 26 L 4.0554 7.3242 120.1518 54.0408 42.0640 177.8065 27 A 4.0511 7.8385 123.3506 53.2873 18.8858 176.7971 28 F 5.1240 6.4596 110.0290 54.2997 41.8905 174.9605 29 G 4.3130 9.5459 106.7063 45.9984 0.0000 172.8765 30 A 5.4816 8.7593 125.0775 50.5339 22.6891 174.7273 31 I 4.9268 9.1448 123.9737 59.5042 40.7789 174.4009 32 Q 4.6511 8.9411 128.0260 54.2215 31.0768 174.0666 33 L 5.3005 8.6752 126.8229 53.0408 45.0127 176.3068 34 D 5.1652 8.9382 122.9322 52.2205 41.3488 177.3482 35 G 3.8680 8.4195 106.5087 48.5419 0.0000 174.2046 36 D 4.7414 8.4658 116.9457 54.2788 41.4963 177.0693 37 G 4.1400 8.6633 108.7639 45.0387 0.0000 173.3818 38 N 4.8614 8.6112 118.2222 52.9245 39.3406 174.2220 39 I 4.2901 8.4768 123.7714 61.3474 37.5846 176.3909 40 L 4.4227 9.2794 127.9332 55.9647 43.2381 177.0872 41 Q 4.7126 7.7266 115.3083 54.7819 33.7815 174.1930 42 Y 4.8853 8.4795 122.6371 57.2093 41.0138 173.8214 43 N 5.0091 8.7247 125.5823 51.6290 39.9102 176.2319 44 A 4.0566 8.8871 120.1512 55.2236 18.3042 179.7135 45 A 3.9925 7.9681 118.9114 55.3203 18.5423 179.4929 46 Q 4.0507 8.5445 118.3714 59.2446 28.9906 178.6831 47 G 3.9433 7.9786 108.1336 47.0731 0.0000 175.4236 48 D 4.4385 8.0032 120.5159 57.5794 40.9829 178.7484 49 I 3.9651 7.6784 118.9091 64.1213 37.2599 177.8547 50 T 4.5092 8.3297 108.5804 61.4207 69.5713 176.0446 51 G 4.0035 8.8296 109.6492 45.2706 0.0000 173.9138 52 R 4.0193 7.7061 119.1124 55.6288 30.8732 175.5923 53 D 4.5853 8.4398 121.3198 53.0056 41.1246 174.7228 54 P 4.1002 0.0000 0.0000 66.0027 31.1386 178.7400 55 K 4.0646 7.7101 114.3633 59.1369 31.9891 178.8525 56 Q 4.1535 8.1368 117.2964 57.3238 29.1405 176.9720 57 V 3.9997 7.2443 112.1671 61.4131 32.7250 176.1417 58 I 4.0273 7.4809 121.2136 62.7610 37.2396 175.4061 59 G 4.0619 9.0543 114.0500 45.5289 0.0000 174.2771 60 K 4.2028 7.9118 118.6824 55.6066 33.0925 175.3993 61 N 4.9618 8.5933 119.7841 52.6570 39.8221 175.7253 62 F 3.9423 9.0254 128.9269 61.3435 39.5562 177.2123 63 F 3.9147 7.5687 117.1013 59.3381 39.1376 176.6695 64 K 4.0714 8.3053 120.8964 58.2878 32.5924 176.9003 65 D 4.5800 8.0554 116.5037 55.8170 41.9118 177.7413 66 V 3.8422 7.4959 115.8793 64.0289 32.9005 175.7728 67 A 4.3665 7.5605 121.3412 49.5485 18.4761 174.8918 68 P 4.1903 0.0000 0.0000 64.5793 31.9053 178.9881 69 C 4.2829 7.6326 112.9758 60.1614 29.9485 174.0848 70 T 4.1708 7.7080 110.6787 61.8751 68.9709 174.2465 71 D 5.2308 7.5011 123.0954 52.6838 39.7194 174.5798 72 S 4.6793 7.9508 115.4417 56.2253 64.4394 174.4697 73 P 4.3461 0.0000 0.0000 65.4647 31.2430 178.5025 74 E 4.1123 8.1415 116.7243 58.0911 29.3486 175.9814 75 F 4.5909 7.8146 118.8597 58.8022 42.1595 175.7655 76 Y 4.2255 9.0546 120.7160 60.9238 38.6665 179.2131 77 G 3.5225 8.0989 106.0169 47.6486 0.0000 175.7361 78 K 3.9724 7.6103 121.2222 58.9456 31.9487 179.0838 79 F 4.0726 8.4135 121.2446 61.2502 39.3935 177.1422 80 K 3.6545 8.5533 118.6703 60.0640 32.1380 178.5357 81 E 3.9184 8.0950 120.5104 58.7884 29.5586 179.0801 82 G 3.8060 7.9273 105.8279 46.7622 0.0000 175.7907 83 V 3.5972 7.3381 120.9580 65.0637 31.5088 177.7261 84 A 4.0595 7.7398 119.1558 54.7305 16.9194 178.9799 85 S 4.4924 8.1703 112.4742 58.0286 63.1255 175.8715 86 G 4.0963 8.7836 109.7636 45.6504 0.0000 172.9961 87 N 5.0188 7.5735 115.0453 51.0124 40.5531 173.2991 88 L 4.5698 8.3760 121.2834 54.5696 45.6604 173.4035 89 N 5.2754 8.7844 125.5821 53.3780 40.2274 172.7489 90 T 4.8987 9.2644 119.6160 60.4723 71.6735 171.8018 91 M 5.5008 8.5731 125.5124 54.0836 35.5747 173.9231 92 F 4.9654 8.6132 118.7103 56.2159 41.8029 172.7206 93 E 4.9301 8.9528 119.2062 56.1998 30.8238 175.0823 94 Y 4.9891 8.8822 122.5212 56.8566 43.3233 173.3355 95 T 5.0997 7.9876 119.1040 61.7936 71.1435 173.6828 96 F 5.1806 9.5157 126.8005 56.2668 40.3330 176.5921 97 D 4.8646 8.6850 122.0565 53.4609 39.9763 174.0524 98 Y 4.4836 8.2115 121.8260 57.8323 38.9794 175.1548 99 Q 3.9027 8.6469 124.9900 56.4284 26.4038 172.9673 100 M 4.8323 7.3467 113.0557 53.5985 34.3449 174.7330 101 T 3.8668 8.3845 116.5979 63.1227 69.0059 172.2849 102 P 4.5853 0.0000 0.0000 63.8596 32.1418 175.6460 103 T 4.6250 9.1085 121.8511 61.4560 71.4969 173.2900 104 K 4.7433 8.5941 127.8341 55.9500 33.9290 175.7707 105 V 4.4838 8.8563 119.4490 59.5470 36.8728 173.9006 106 K 4.7454 8.8190 124.1148 55.0932 33.7753 175.1399 107 V 4.8834 8.5760 127.8585 61.3002 34.2530 173.6540 108 H 5.3259 9.6183 127.3719 54.8324 32.7176 171.6854 109 M 5.2354 9.1617 126.3008 53.5689 34.4238 175.1684 110 K 5.2128 9.0091 124.0337 54.5191 36.3961 175.1147 111 K 4.4278 8.7424 128.2087 56.3244 32.7286 176.5704 112 A 4.4645 8.3387 129.0360 51.5933 18.8088 177.6489 113 L 4.0410 8.6984 121.1378 58.1685 42.5119 178.2499 114 S 4.2842 8.4679 114.0262 59.0317 64.4518 174.8737 115 G 4.1048 6.9708 105.2026 42.2671 0.0000 176.9844 116 D 4.7054 8.3341 119.6163 53.8558 39.8039 175.0883 117 S 5.1030 7.3207 113.8366 56.7855 66.8500 174.1752 118 Y 4.8977 8.7460 118.8893 56.2131 42.0711 174.2936 119 W 4.9896 9.4947 124.0204 55.3424 31.6580 175.4811 120 V 4.6215 8.6474 123.6200 61.1752 33.8868 174.0279 121 F 5.7536 9.2336 127.1849 55.8150 41.8271 174.8494 122 V 5.3021 9.1297 122.6517 61.1797 35.0673 174.2611 123 K 4.8928 8.5921 125.0515 55.0720 36.1861 175.8835 124 R 4.2839 8.4983 120.4087 56.4191 31.0827 177.2540 125 V 3.9231 7.7586 114.0217 61.6833 32.4429 175.7322 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 8.30 4.64 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.50 0.00 2 E 9.25 3.83 0.00 1.75 1.78 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 2.27 2.51 0.00 3 H 9.02 4.62 0.00 3.00 3.28 0.00 5.84 0.00 0.00 0.00 0.00 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 7.92 4.29 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 0.77 0.00 0.00 0.85 0.00 0.00 5 A 8.41 4.51 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 6 F 8.63 3.22 0.00 2.60 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.76 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 0.00 0.00 0.00 8 S 7.44 4.13 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 9 E 8.79 3.98 0.00 1.88 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 2.39 0.00 10 D 7.78 4.97 0.00 2.69 2.59 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 11 I 7.57 3.54 1.67 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.26 0.80 0.00 0.00 12 E 8.10 4.10 0.00 2.37 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 0.00 2.34 2.42 0.00 13 N 8.21 4.52 0.00 3.02 2.91 0.00 0.00 6.94 7.15 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 14 T 7.78 3.89 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 1.17 0.00 0.00 15 L 8.26 4.20 0.00 1.59 1.49 0.76 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.72 4.25 1.44 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 0.00 0.00 0.00 17 K 7.57 4.31 0.00 1.95 1.95 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.69 1.47 7.81 18 M 7.19 4.34 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.49 0.00 19 D 8.36 4.83 0.00 2.74 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 D 8.69 4.57 0.00 2.85 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 21 G 8.04 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 0.00 0.00 0.00 22 Q 8.05 4.13 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.58 2.44 0.00 23 L 8.03 4.03 0.00 1.95 1.77 1.24 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.75 4.77 0.00 2.90 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 25 G 7.65 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 26 L 7.32 4.06 0.00 1.33 0.57 0.64 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.84 4.05 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 28 F 6.46 5.12 0.00 3.31 3.07 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 29 G 9.55 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.76 5.48 1.46 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 31 I 9.14 4.93 1.62 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.58 0.71 0.00 0.00 32 Q 8.94 4.65 0.00 1.06 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.76 0.00 0.00 0.00 0.00 0.00 1.89 1.54 0.00 33 L 8.68 5.30 0.00 1.77 1.57 0.39 0.58 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 34 D 8.94 5.17 0.00 2.86 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 35 G 8.42 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 36 D 8.47 4.74 0.00 2.87 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 37 G 8.66 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 38 N 8.61 4.86 0.00 3.08 2.75 0.00 0.00 6.99 6.76 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 39 I 8.48 4.29 2.03 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 1.18 0.86 1.03 0.00 0.00 40 L 9.28 4.42 0.00 1.39 1.66 0.86 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 7.73 4.71 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 42 Y 8.48 4.89 0.00 2.94 2.79 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 43 N 8.72 5.01 0.00 2.98 2.99 0.00 0.00 6.49 7.26 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 44 A 8.89 4.06 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 45 A 7.97 3.99 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 46 Q 8.54 4.05 0.00 2.07 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.30 2.03 0.00 47 G 7.98 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 48 D 8.00 4.44 0.00 2.95 2.79 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 49 I 7.68 3.97 2.11 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 1.62 0.73 1.04 0.00 0.00 50 T 8.33 4.51 4.39 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 1.51 0.00 0.00 51 G 8.83 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 52 R 7.71 4.02 0.00 1.90 1.67 0.00 3.22 0.00 0.00 3.07 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 53 D 8.44 4.59 0.00 2.69 2.53 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 54 P 0.00 4.10 0.00 2.28 2.63 0.00 3.70 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.49 0.00 55 K 7.71 4.06 0.00 1.74 1.86 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.17 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.53 7.81 56 Q 8.14 4.15 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 57 V 7.24 4.00 1.78 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 0.52 0.00 0.00 0.11 0.00 0.00 58 I 7.48 4.03 1.86 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 1.56 0.76 0.97 0.00 0.00 59 G 9.05 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 60 K 7.91 4.20 0.00 1.90 1.68 0.00 1.58 0.00 0.00 1.52 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.31 7.81 61 N 8.59 4.96 0.00 2.75 2.72 0.00 0.00 7.14 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 62 F 9.03 3.94 0.00 2.69 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 0.00 0.00 0.00 63 F 7.57 3.91 0.00 2.45 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 0.00 0.00 0.00 64 K 8.31 4.07 0.00 1.68 1.76 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.36 7.81 65 D 8.06 4.58 0.00 2.81 2.63 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 66 V 7.50 3.84 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 0.74 0.00 0.00 0.89 0.00 0.00 67 A 7.56 4.37 -0.03 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 0.00 0.00 68 P 0.00 4.19 0.00 1.79 1.94 0.00 3.24 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.83 0.00 69 C 7.63 4.28 0.00 3.22 3.07 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 70 T 7.71 4.17 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 0.23 0.00 0.00 71 D 7.50 5.23 0.00 2.74 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 72 S 7.95 4.68 0.00 3.95 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 73 P 0.00 4.35 0.00 2.23 2.09 0.00 3.71 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 74 E 8.14 4.11 0.00 2.29 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 0.00 2.48 2.35 0.00 75 F 7.81 4.59 0.00 2.74 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 76 Y 9.05 4.23 0.00 3.09 2.95 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 77 G 8.10 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.61 3.97 0.00 1.99 1.84 0.00 1.21 0.00 0.00 1.15 0.00 0.00 2.55 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.32 1.31 7.81 79 F 8.41 4.07 0.00 3.39 3.28 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 80 K 8.55 3.65 0.00 1.78 1.68 0.00 1.10 0.00 0.00 1.38 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.06 1.53 7.81 81 E 8.09 3.92 0.00 2.13 1.91 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 2.24 2.41 0.00 82 G 7.93 3.81 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 0.00 83 V 7.34 3.60 1.74 0.00 0.00 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 -0.72 0.00 0.00 84 A 7.74 4.06 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 85 S 8.17 4.49 0.00 3.87 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 86 G 8.78 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 0.00 0.00 0.00 0.00 87 N 7.57 5.02 0.00 2.96 2.88 0.00 0.00 6.43 6.55 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 88 L 8.38 4.57 0.00 1.83 1.67 0.96 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.78 5.28 0.00 2.78 2.73 0.00 0.00 6.91 7.70 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 90 T 9.26 4.90 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 1.38 0.00 0.00 91 M 8.57 5.50 0.00 2.04 1.81 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.57 0.00 92 F 8.61 4.97 0.00 3.17 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 93 E 8.95 4.93 0.00 1.97 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 2.26 2.32 0.00 94 Y 8.88 4.99 0.00 3.26 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 95 T 7.99 5.10 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 1.26 0.00 0.00 96 F 9.52 5.18 0.00 3.11 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 97 D 8.68 4.86 0.00 2.77 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 98 Y 8.21 4.48 0.00 2.94 2.84 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 99 Q 8.65 3.90 0.00 1.76 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.55 0.00 0.00 0.00 0.00 0.00 1.85 1.16 0.00 100 M 7.35 4.83 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.79 0.00 101 T 8.38 3.87 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 1.23 0.00 0.00 102 P 0.00 4.59 0.00 1.96 2.08 0.00 3.64 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 2.06 2.18 0.00 103 T 9.11 4.63 4.34 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 1.21 0.00 0.00 104 K 8.59 4.74 0.00 1.82 1.63 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.61 7.81 105 V 8.86 4.48 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 0.34 0.00 0.00 0.29 0.00 0.00 106 K 8.82 4.75 0.00 1.60 1.32 0.00 1.48 0.00 0.00 1.61 0.00 0.00 2.70 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.34 7.81 107 V 8.58 4.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.84 0.00 0.00 108 H 9.62 5.33 0.00 2.88 2.91 0.00 5.62 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 M 9.16 5.24 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.57 0.00 110 K 9.01 5.21 0.00 1.76 1.75 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.63 7.81 111 K 8.74 4.43 0.00 1.92 1.73 0.00 1.97 0.00 0.00 1.67 0.00 0.00 2.67 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.25 1.02 7.81 112 A 8.34 4.46 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 0.00 0.00 0.00 0.00 0.00 113 L 8.70 4.04 0.00 1.69 1.77 0.94 0.94 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 0.00 114 S 8.47 4.28 0.00 3.91 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 0.00 115 G 6.97 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 0.00 0.00 0.00 0.00 116 D 8.33 4.71 0.00 2.82 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 0.00 117 S 7.32 5.10 0.00 3.77 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 0.00 118 Y 8.75 4.90 0.00 3.17 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 0.00 119 W 9.49 4.99 0.00 3.01 1.74 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.65 4.62 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 1.18 0.00 0.00 0.95 0.00 0.00 121 F 9.23 5.75 0.00 2.65 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 0.00 122 V 9.13 5.30 2.45 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 1.06 0.00 0.00 1.21 0.00 0.00 123 K 8.59 4.89 0.00 1.61 1.52 0.00 0.98 0.00 0.00 0.70 0.00 0.00 2.13 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.30 0.88 7.81 124 R 8.50 4.28 0.00 1.66 1.85 0.00 3.14 0.00 0.00 3.21 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 125 V 7.76 3.92 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 0.55 0.00 0.00 0.87 0.00 0.00