NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6207 8.3649 120.5336 54.1918 41.1069 174.5598 3 D 4.4022 8.2253 123.5524 52.4256 41.7829 174.8646 4 L 4.0822 8.2200 125.2559 55.0681 43.7393 176.3615 5 T 4.6002 8.3523 115.5413 59.1425 73.4101 174.9380 6 I 3.6777 8.1182 121.5252 64.3960 36.9085 178.7000 7 S 3.8759 7.8022 113.9126 61.2678 62.3220 176.2238 8 S 3.9839 8.0510 117.1241 61.2318 62.4636 176.5009 9 L 3.6897 7.7458 123.0111 56.8983 41.3933 179.0343 10 A 3.4419 7.4179 119.4949 53.9326 18.1302 178.7943 11 K 4.2845 7.1335 114.9251 55.5588 33.5287 177.3180 12 G 3.6253 7.2936 110.0390 45.0571 0.0000 174.2674 13 E 3.8531 8.9068 124.9439 59.1792 29.6963 177.8581 14 T 4.3519 7.8232 105.6288 62.3368 69.4189 174.7815 15 T 4.5569 7.3892 110.8905 61.1490 70.8721 175.7633 16 K 3.9447 8.4225 123.8971 59.6127 32.0922 178.3490 17 A 4.0127 8.0076 120.3073 55.1338 18.3992 179.3143 18 A 4.0240 8.0268 118.8798 55.1791 18.5205 179.5003 19 F 3.9645 8.4266 119.2798 61.4996 39.3413 177.1302 20 N 4.3541 8.5230 116.2001 56.4750 38.0745 177.4522 21 Q 3.9741 7.8402 118.6267 58.8831 28.8384 178.0057 22 M 4.1297 7.6001 118.5403 58.4375 32.5830 177.9180 23 V 3.9254 7.1959 110.1006 59.9701 31.8961 175.6958 24 Q 3.9329 6.8711 121.2421 57.9156 29.0641 177.0789 25 G 3.8792 9.0086 113.2320 45.4627 0.0000 172.5387 26 H 4.8530 7.8716 116.1644 53.7337 31.2685 174.2065 27 K 4.2872 8.1314 123.8327 54.4390 31.8074 175.6186 28 L 3.8056 7.6478 123.7508 52.5393 42.7711 175.4609 29 P 4.2944 0.0000 0.0000 62.3680 31.9350 177.7965 30 A 4.0288 8.5309 122.4432 54.7081 18.2426 180.1469 31 W 4.3179 8.1750 115.0353 59.3508 27.8497 178.6209 32 V 3.2073 6.5175 118.6212 66.3104 31.0435 177.7080 33 M 3.9934 7.7341 116.3948 57.9867 31.9108 178.2550 34 K 4.3178 7.6682 119.2777 57.1363 32.6198 176.9526 35 G 4.0458 8.1081 107.4149 46.1381 0.0000 173.2930 36 G 4.0790 8.3855 116.7453 44.4456 0.0000 170.7152 37 T 4.3018 8.2344 117.4414 63.5299 69.2106 173.9569 38 Y 5.5182 8.3562 123.9144 55.3180 41.6566 173.9823 39 T 4.7340 8.0688 108.8279 58.7723 72.1914 172.1557 40 P 4.4504 0.0000 0.0000 62.4276 31.9214 176.5861 41 A 4.5325 8.4935 123.1844 52.4556 19.3187 176.7832 42 Q 4.7255 9.0270 118.0457 54.3712 33.2677 174.7022 43 T 4.9173 8.5182 118.5952 62.9408 69.9590 174.4987 44 V 4.6823 8.9408 125.3258 61.4603 35.5014 173.9987 45 T 5.1605 9.3528 124.2052 61.9122 71.1932 173.2977 46 L 5.0669 9.1390 127.7680 53.8067 44.1266 176.6387 47 G 3.9850 8.4719 115.5634 47.1458 0.0000 173.5805 48 D 4.9743 8.8819 121.6463 52.6183 39.7113 175.1956 49 E 4.5938 8.2465 119.3735 55.6119 31.8975 175.0193 50 T 5.0038 8.1283 119.7989 62.3510 70.4600 173.6281 51 Y 4.8842 9.3415 122.3843 56.3356 42.7961 174.1995 52 Q 5.0735 9.1341 120.9632 54.4765 31.2196 174.7561 53 V 5.0138 9.0737 124.6454 61.5313 34.1328 174.3580 54 M 5.4641 9.1979 126.2572 54.0720 36.8247 173.7945 55 S 5.2733 8.4988 112.9635 57.6423 67.1648 172.3651 56 A 5.3445 9.0682 120.7668 51.1670 22.9578 172.7863 57 C 5.1183 9.0733 113.7933 52.7157 47.0222 173.2532 58 K 2.4800 7.4076 121.2219 55.1469 32.5086 174.5433 59 P 3.9921 0.0000 0.0000 64.6132 31.5769 175.7979 60 H 4.1287 8.8662 117.7305 56.5058 26.7738 175.0486 61 D 4.6472 7.8521 119.4439 52.8932 41.1568 176.3720 62 C 4.0316 8.3299 121.4786 59.5885 44.0876 174.8676 63 G 3.3825 7.8948 105.4261 46.9140 0.0000 173.9684 64 S 4.4508 8.0007 116.3898 59.9003 64.0883 173.9453 65 Q 5.0474 7.5180 120.6537 54.7863 32.6703 173.8621 66 R 5.2461 8.5625 121.2876 55.7231 33.6464 173.2573 67 I 5.2093 9.2178 118.7769 59.5359 41.9405 173.3329 68 A 5.2993 9.1081 129.1791 50.2590 22.5624 175.2093 69 V 5.0608 9.1057 120.1535 61.3434 35.7867 173.8145 70 M 5.3632 9.5901 124.6140 53.2589 34.0900 174.1509 71 W 5.6052 9.7755 132.7324 55.7092 34.1403 173.6040 72 S 4.2160 8.8461 122.3984 56.4026 62.7907 174.5744 73 E 3.5157 7.8890 127.8793 58.9902 29.6480 178.1824 74 K 3.8189 7.8270 119.0803 59.0426 32.1867 177.0981 75 S 4.4923 7.7808 110.2419 57.3210 64.0047 175.1260 76 N 4.7591 8.2981 119.7843 53.8895 39.7985 174.3550 77 Q 4.3095 7.7059 116.7417 56.7551 30.0809 175.5623 78 M 5.5101 8.7345 121.4932 54.2634 35.1112 174.5055 79 T 4.9471 9.1337 122.1460 62.0279 72.9106 173.3053 80 G 4.5008 9.1281 111.1596 45.1276 0.0000 170.8397 81 L 4.9532 9.0674 121.1971 53.3918 45.5258 174.4690 82 F 5.1264 9.0000 129.0866 56.4868 41.9984 174.1443 83 S 4.9620 8.1553 119.9541 56.7497 65.7896 172.4799 84 T 4.9739 8.7201 123.0849 61.7754 71.6076 172.8992 85 I 4.7958 8.7131 126.8497 59.6597 39.9773 175.2841 86 D 4.6751 8.7893 126.1441 52.0498 42.1072 175.6846 87 E 3.9493 8.8173 126.5770 58.9367 29.8973 179.3426 88 K 4.0980 7.6155 116.5918 58.6527 31.6577 177.5956 89 T 4.4658 7.9553 106.9697 60.4083 69.2442 174.3764 90 S 3.9084 7.7730 115.9951 60.0621 61.2617 171.8461 91 Q 4.8427 7.3221 117.7003 54.3585 32.0732 174.6554 92 E 5.0008 8.4883 121.0378 54.9356 32.9426 174.1623 93 K 4.5774 9.3048 127.1921 54.8678 34.1606 175.1908 94 L 4.9898 8.4967 125.0242 53.2316 43.9359 176.0233 95 T 4.5040 8.6653 119.9722 61.4756 71.3612 173.1665 96 W 4.6168 8.8104 127.0745 56.0388 30.4035 176.0186 97 L 4.3568 9.3216 125.9465 52.7480 42.6181 176.3684 98 N 4.0991 8.6082 125.3807 54.3262 37.1763 175.4344 99 V 3.8992 7.7732 117.4736 61.7755 31.6584 174.9438 100 N 4.7081 8.4388 125.3204 51.8232 38.6941 175.5777 101 D 4.2502 8.7078 117.4474 57.2876 41.3852 178.1096 102 A 4.0359 8.1121 120.6475 54.5841 18.6574 177.7720 103 L 4.5705 7.7431 113.5924 54.5275 41.9773 178.4304 104 S 4.0456 7.8932 114.7529 60.0268 62.7100 174.2183 105 I 4.1480 6.7238 119.7142 62.8449 39.2783 176.9125 106 D 4.3401 7.8074 120.7186 57.1659 41.0827 179.1420 107 G 3.5288 7.9380 106.1465 47.7167 0.0000 175.7452 108 K 4.0574 7.7347 120.7457 59.4323 31.9379 179.5607 109 T 4.0130 7.7790 115.5397 66.6384 68.3913 176.8811 110 V 3.5612 8.1442 120.1412 66.0377 31.2865 178.0466 111 L 4.0587 8.3335 119.0197 57.8628 41.4353 179.3535 112 F 4.1111 8.7817 120.5030 61.2120 39.3687 177.0924 113 A 3.8730 8.3768 120.3156 54.9017 17.7836 179.4693 114 A 3.8590 7.6708 118.7708 55.0984 18.4629 179.4011 115 L 4.0465 7.1323 116.6235 57.6013 41.9100 179.2592 116 T 3.8670 7.4719 109.3860 63.7752 69.1390 175.3925 117 G 4.0500 8.1956 107.3149 45.4700 0.0000 175.6684 118 S 4.3021 8.2122 116.4773 61.4427 62.5225 176.2041 119 L 3.8971 7.5223 122.4836 58.1302 41.8526 178.6000 120 E 4.1453 8.0071 117.2442 59.2276 29.6234 178.3774 121 N 4.5878 8.1577 115.4284 54.6947 40.3278 175.2207 122 H 5.0157 8.3010 117.1505 52.8206 29.1933 172.1161 123 P 4.4453 0.0000 0.0000 65.2994 31.5467 177.8497 124 D 4.8409 8.2033 116.6164 54.0790 40.9495 176.6022 125 G 3.7243 8.1676 106.4977 45.3739 0.0000 174.5633 126 F 3.8455 7.7239 116.3801 56.8777 40.3409 176.1956 127 N 5.0063 7.4476 119.2561 51.0390 37.1626 175.3166 128 F 4.4864 7.4584 120.9995 57.7747 39.0020 175.6577 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 2 D 8.36 4.62 0.00 2.67 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 3 D 8.23 4.40 0.00 2.74 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 4 L 8.22 4.08 0.00 1.64 1.63 0.74 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.35 4.60 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 0.34 0.00 0.00 6 I 8.12 3.68 1.90 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.88 1.02 0.00 0.00 7 S 7.80 3.88 0.00 3.80 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 8 S 8.05 3.98 0.00 3.94 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 9 L 7.75 3.69 0.00 1.59 1.46 0.57 -0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.42 3.44 -0.06 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 11 K 7.13 4.28 0.00 1.54 1.75 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.25 1.38 7.81 12 G 7.29 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 0.00 0.00 0.00 13 E 8.91 3.85 0.00 1.90 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 2.29 2.37 0.00 14 T 7.82 4.35 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 1.24 0.00 0.00 15 T 7.39 4.56 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 1.10 0.00 0.00 16 K 8.42 3.94 0.00 1.91 1.85 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.62 7.81 17 A 8.01 4.01 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 18 A 8.03 4.02 1.57 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 0.00 0.00 19 F 8.43 3.96 0.00 3.11 3.18 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 0.00 0.00 0.00 20 N 8.52 4.35 0.00 2.98 2.87 0.00 0.00 7.06 7.01 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 21 Q 7.84 3.97 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.66 0.00 22 M 7.60 4.13 0.00 1.86 2.19 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.40 0.00 23 V 7.20 3.93 1.84 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 -0.02 0.00 0.00 0.68 0.00 0.00 24 Q 6.87 3.93 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.54 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 25 G 9.01 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 26 H 7.87 4.85 0.00 3.11 3.05 0.00 5.61 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.13 4.29 0.00 1.59 1.63 0.00 1.58 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.40 7.81 28 L 7.65 3.81 0.00 1.36 0.96 0.64 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.29 0.00 1.74 2.10 0.00 2.86 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.10 0.00 30 A 8.53 4.03 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 31 W 8.17 4.32 0.00 3.57 3.37 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 32 V 6.52 3.21 1.69 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 0.79 0.00 0.00 -0.41 0.00 0.00 33 M 7.73 3.99 0.00 1.87 2.03 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.30 0.00 34 K 7.67 4.32 0.00 1.75 2.08 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.48 7.81 35 G 8.11 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.39 4.08 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 0.00 0.00 0.00 37 T 8.23 4.30 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 1.09 0.00 0.00 38 Y 8.36 5.52 0.00 3.06 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 39 T 8.07 4.73 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 40 P 0.00 4.45 0.00 2.11 2.10 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 41 A 8.49 4.53 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 42 Q 9.03 4.73 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.87 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 43 T 8.52 4.92 4.28 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 1.24 0.00 0.00 44 V 8.94 4.68 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 0.94 0.00 0.00 0.99 0.00 0.00 45 T 9.35 5.16 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 1.34 0.00 0.00 46 L 9.14 5.07 0.00 1.88 1.71 0.87 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.47 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 0.00 0.00 0.00 48 D 8.88 4.97 0.00 2.74 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 49 E 8.25 4.59 0.00 2.26 1.68 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 2.25 2.42 0.00 50 T 8.13 5.00 4.11 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 1.19 0.00 0.00 51 Y 9.34 4.88 0.00 2.89 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 52 Q 9.13 5.07 0.00 2.34 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.64 0.00 53 V 9.07 5.01 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 1.13 0.00 0.00 1.01 0.00 0.00 54 M 9.20 5.46 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 55 S 8.50 5.27 0.00 3.97 3.93 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 56 A 9.07 5.34 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 C 9.07 5.12 0.00 2.91 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 58 K 7.41 2.48 0.00 0.89 1.40 0.00 1.86 0.00 0.00 1.55 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.10 0.79 7.81 59 P 0.00 3.99 0.00 1.94 1.79 0.00 3.56 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 60 H 8.87 4.13 0.00 3.27 3.34 0.00 5.70 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.85 4.65 0.00 2.62 2.38 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 62 C 8.33 4.03 0.00 2.83 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 63 G 7.89 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 64 S 8.00 4.45 0.00 4.15 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 65 Q 7.52 5.05 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.55 0.00 0.00 0.00 0.00 0.00 2.66 2.20 0.00 66 R 8.56 5.25 0.00 1.98 1.90 0.00 2.84 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 1.38 1.61 0.00 67 I 9.22 5.21 2.16 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 1.26 1.67 1.11 0.00 0.00 68 A 9.11 5.30 1.21 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 69 V 9.11 5.06 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 1.16 0.00 0.00 1.02 0.00 0.00 70 M 9.59 5.36 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 71 W 9.78 5.61 0.00 3.34 3.19 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 72 S 8.85 4.22 0.00 2.94 3.53 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 73 E 7.89 3.52 0.00 1.57 1.71 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 1.47 1.47 0.00 74 K 7.83 3.82 0.00 1.51 1.65 0.00 1.63 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.37 7.81 75 S 7.78 4.49 0.00 4.05 4.02 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 76 N 8.30 4.76 0.00 2.93 3.12 0.00 0.00 7.15 6.63 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 77 Q 7.71 4.31 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.53 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 78 M 8.73 5.51 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.65 0.00 79 T 9.13 4.95 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 1.37 0.00 0.00 80 G 9.13 4.50 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 81 L 9.07 4.95 0.00 1.51 1.40 -0.42 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 82 F 9.00 5.13 0.00 3.04 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 83 S 8.16 4.96 0.00 3.68 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.72 4.97 4.26 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 1.30 0.00 0.00 85 I 8.71 4.80 1.95 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 1.04 0.88 0.97 0.00 0.00 86 D 8.79 4.68 0.00 2.69 2.52 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 87 E 8.82 3.95 0.00 1.99 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 0.00 2.37 2.28 0.00 88 K 7.62 4.10 0.00 1.98 1.87 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.38 7.81 89 T 7.96 4.47 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 1.22 0.00 0.00 90 S 7.77 3.91 0.00 4.07 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 91 Q 7.32 4.84 0.00 2.18 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 92 E 8.49 5.00 0.00 1.95 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 2.23 2.33 0.00 93 K 9.30 4.58 0.00 1.71 1.72 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.41 7.81 94 L 8.50 4.99 0.00 1.34 0.95 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 95 T 8.67 4.50 4.26 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 1.12 0.00 0.00 96 W 8.81 4.62 0.00 3.22 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.32 4.36 0.00 1.68 1.71 0.85 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.61 4.10 0.00 2.98 2.87 0.00 0.00 7.18 7.71 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 99 V 7.77 3.90 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 0.77 0.00 0.00 1.10 0.00 0.00 100 N 8.44 4.71 0.00 2.97 2.98 0.00 0.00 5.81 8.07 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 0.00 101 D 8.71 4.25 0.00 2.68 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 0.00 102 A 8.11 4.04 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 0.00 103 L 7.74 4.57 0.00 1.68 1.60 0.88 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 104 S 7.89 4.05 0.00 3.85 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 0.00 105 I 6.72 4.15 1.77 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.96 0.78 0.00 0.00 106 D 7.81 4.34 0.00 2.69 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 0.00 107 G 7.94 3.53 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 0.00 108 K 7.73 4.06 0.00 1.68 1.46 0.00 1.20 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.30 0.96 7.81 109 T 7.78 4.01 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 1.45 0.00 0.00 110 V 8.14 3.56 2.26 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 1.01 0.00 0.00 1.24 0.00 0.00 111 L 8.33 4.06 0.00 2.20 1.87 1.18 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 112 F 8.78 4.11 0.00 3.45 3.33 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 0.00 113 A 8.38 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 7.67 3.86 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 0.00 115 L 7.13 4.05 0.00 1.34 1.48 0.76 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 116 T 7.47 3.87 4.16 0.00 0.00 0.00 0.00 0.00 0.00 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 0.00 117 G 8.20 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.21 4.30 0.00 4.07 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 0.00 119 L 7.52 3.90 0.00 1.13 1.51 0.90 0.93 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 0.00 120 E 8.01 4.15 0.00 1.96 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 2.31 2.38 0.00 121 N 8.16 4.59 0.00 2.72 2.69 0.00 0.00 6.80 7.60 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 0.00 122 H 8.30 5.02 0.00 3.47 3.20 0.00 5.63 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 0.00 123 P 0.00 4.45 0.00 2.21 2.25 0.00 3.77 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 124 D 8.20 4.84 0.00 2.66 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 0.00 125 G 8.17 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 0.00 0.00 0.00 126 F 7.72 3.85 0.00 2.91 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 0.00 127 N 7.45 5.01 0.00 2.62 2.82 0.00 0.00 7.31 7.45 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 0.00 128 F 7.46 4.49 0.00 3.16 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