NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3699 8.3349 115.3954 58.4962 65.8687 173.2949 2 H 4.0767 7.3234 115.9640 55.1513 29.2904 175.3572 3 G 3.8919 8.7166 111.6780 45.9299 0.0000 173.9196 4 S 4.3094 7.4983 114.2969 57.5333 61.7094 172.3135 5 H 4.9469 8.2389 123.6966 54.1003 31.3252 173.8553 6 E 4.6360 8.6242 122.2386 55.3274 31.3733 176.5729 7 T 4.2680 8.4259 110.8855 61.0824 71.1947 175.2942 8 D 4.4495 8.7078 121.9693 58.0550 40.8337 179.3889 9 E 4.0695 8.2291 118.0282 59.6507 29.5734 179.2212 10 E 4.0373 8.1232 118.3841 59.0246 29.5130 179.3084 11 F 4.1061 8.2893 121.0115 61.5017 39.5438 176.8360 12 D 4.5686 8.5890 118.3049 57.6625 40.5587 178.5134 13 A 4.0030 8.3037 121.1014 55.2099 18.4816 179.3400 14 R 3.6051 7.9808 116.3640 59.3620 29.8836 178.8006 15 W 4.1137 7.6973 117.8530 59.3856 29.1002 178.6455 16 V 3.8423 7.9990 117.0844 66.4486 31.2101 177.9195 17 T 4.0301 8.2940 115.5544 66.8162 68.3883 175.6253 18 Y 4.0077 7.7302 121.2956 61.1736 38.4763 178.5667 19 F 4.4502 8.4506 116.4857 59.8578 39.1745 176.6605 20 N 4.7986 7.9303 114.2607 52.3370 38.9138 174.9019 21 K 3.7836 7.2406 122.1366 55.9976 32.5364 175.2560 22 P 4.2479 0.0000 0.0000 65.8982 31.2110 176.7629 23 D 4.6727 7.9168 115.4212 52.8019 39.5086 175.9102 24 I 3.8605 7.4708 121.0701 61.6107 38.4731 175.3859 25 D 5.0140 8.6300 126.2699 50.9143 43.1670 177.0698 26 A 4.0318 8.5509 120.9865 55.4324 18.1457 179.1544 27 W 4.1977 8.4012 126.3055 61.2271 30.7012 177.9645 28 E 4.3160 8.7716 117.6016 59.3353 28.8224 179.0828 29 L 4.2131 8.1184 120.4561 58.2024 42.1181 179.3655 30 R 3.9041 8.4356 118.3823 59.0714 30.0833 178.4906 31 K 3.5387 8.1416 119.9338 59.8686 31.8990 178.1368 32 G 3.9213 8.6677 105.6244 48.7217 0.0000 175.1836 33 M 4.0394 8.2520 120.9488 57.9333 32.0231 178.8332 34 N 4.2736 8.1949 115.0357 56.1739 38.9978 177.1021 35 T 3.9928 7.5965 117.2256 65.9620 68.4187 176.8605 36 L 3.6378 7.6163 122.2254 57.6598 41.7667 178.8256 37 V 3.7779 7.5312 117.0569 64.7967 31.5170 177.5759 38 G 3.5880 7.3313 103.9123 46.3478 0.0000 173.6175 39 Y 4.6417 6.4101 117.1353 57.8878 39.0209 175.8763 40 D 4.6748 8.1733 122.5693 50.8704 39.6832 175.2112 41 L 4.3891 6.9608 118.5323 54.9983 42.7356 174.7121 42 V 4.0207 8.3717 120.6247 61.1717 32.4116 174.2379 43 P 4.4689 0.0000 0.0000 62.3560 31.9856 176.0957 44 E 4.1807 8.8388 121.0493 56.1905 30.2328 176.3960 45 P 4.2445 0.0000 0.0000 65.7891 31.1963 179.1180 46 K 4.0972 8.0866 117.0788 59.9453 32.6050 179.2881 47 I 3.8837 8.0601 121.2293 64.3158 37.1470 178.3859 48 I 3.5939 7.7163 120.1545 64.1441 36.8611 177.6947 49 D 4.1853 8.5333 119.2238 57.3710 41.0564 177.9007 50 A 3.9933 7.8464 120.6942 55.5188 18.4620 179.5133 51 A 3.5692 7.5809 118.3857 54.8064 18.0390 179.9082 52 L 3.8887 7.4636 117.0960 57.8518 41.8634 179.6927 53 R 4.0187 8.1396 117.7515 59.3794 30.1457 178.8216 54 A 3.9992 8.2481 120.6188 55.5372 18.1106 179.5416 55 C 4.0991 7.9657 114.8525 62.8492 28.1017 176.0802 56 R 3.9322 8.1589 120.4813 59.6224 29.4950 178.4662 57 R 3.8396 8.0482 115.7213 59.4402 30.1031 177.3701 58 L 4.3704 8.0886 114.4229 53.8551 41.9326 176.4355 59 N 4.1068 8.4564 115.9984 54.8388 36.3743 175.4351 60 D 4.7959 8.6489 118.1031 52.3295 42.7271 175.9604 61 F 4.1015 8.8720 128.6329 61.0527 39.6963 176.3168 62 A 3.7642 8.1356 119.9287 55.6266 18.0485 179.3990 63 S 3.9906 8.3896 112.8525 61.8517 62.3979 176.8927 64 A 3.8585 7.3580 122.8180 55.0557 18.0135 179.9757 65 V 3.3270 7.0618 116.2112 66.1674 31.6773 178.2360 66 R 4.4711 7.7115 119.6994 58.9045 29.8928 178.4440 67 I 3.6425 7.8210 119.7223 64.3904 36.9854 178.4108 68 L 4.1239 7.5160 118.5764 57.4240 41.4745 179.4949 69 E 3.9009 7.9791 118.9079 59.2593 29.4124 179.1698 70 V 3.4751 7.7007 118.2012 66.1168 31.3093 177.7936 71 V 3.5467 7.2519 115.8820 66.2181 31.5431 177.5789 72 K 3.7862 7.3820 117.4582 59.2796 31.8953 178.0862 73 D 4.2133 7.8933 118.2829 57.4853 40.9293 178.5643 74 K 3.9687 8.4620 117.3907 59.0897 32.2001 178.7207 75 A 4.1756 8.1036 120.7362 51.9470 18.4213 178.7502 76 G 3.8028 8.2503 106.0182 46.5204 0.0000 172.8128 77 P 4.5594 0.0000 0.0000 63.1446 31.6193 176.8303 78 H 4.9448 8.0978 119.7556 53.8641 27.1466 175.3852 79 K 3.9399 8.2676 121.3214 59.8051 32.2696 178.9813 80 E 4.1543 8.3136 117.6972 59.2793 29.2122 179.2012 81 I 3.7784 7.8932 119.9718 64.5716 37.2523 177.2912 82 Y 4.4915 8.2381 119.6545 60.9102 38.5316 176.5888 83 P 4.1051 0.0000 0.0000 65.5119 31.4585 178.0024 84 Y 4.0297 7.7662 117.4979 60.5822 38.7710 178.1449 85 V 3.4156 8.0329 119.1032 66.2988 31.4804 177.9437 86 I 3.5251 7.5724 118.3609 64.3130 37.0973 177.9952 87 Q 3.9485 7.7390 120.3074 59.2363 28.8199 177.9837 88 E 3.9890 7.5923 117.4242 57.9150 29.7412 178.0850 89 L 4.4341 7.3693 117.9804 54.6108 42.5208 178.3102 90 R 3.8327 7.6193 119.3361 59.2963 30.0763 176.1539 91 P 4.1655 0.0000 0.0000 66.5831 31.3453 178.6081 92 T 3.9814 7.8164 113.3903 66.5386 68.3472 176.5525 93 L 3.9823 8.2492 121.3040 57.8945 41.8032 179.2293 94 N 4.2836 8.6162 116.4374 56.4827 38.3227 176.5752 95 E 3.8878 8.3897 119.2825 59.9101 29.7886 178.7623 96 L 4.2280 8.0678 117.3776 54.9938 42.1841 177.0193 97 G 3.7343 7.7524 106.1961 46.5546 0.0000 174.0751 98 I 4.4871 7.9683 121.1360 59.9281 37.7751 176.5300 99 S 4.6487 9.0426 122.6668 58.0974 63.7486 175.0817 100 T 4.1914 8.3895 115.5948 60.9920 70.6958 174.0069 101 P 4.2867 0.0000 0.0000 65.9534 31.2560 178.9624 102 E 4.5137 8.0712 118.2169 58.9675 29.3071 178.9310 103 E 3.9946 7.8680 117.4385 59.4211 29.7055 178.9906 104 L 4.3005 8.2521 116.6592 55.0311 41.6803 177.8729 105 G 3.9264 7.9392 107.0957 46.3674 0.0000 174.5574 106 L 4.2833 8.3368 118.3861 55.2408 41.9648 177.1371 107 D 4.7391 7.9680 118.7156 52.8826 39.7844 175.6867 108 K 4.8321 7.7019 117.9145 55.3198 35.4923 176.4162 109 V 4.0037 8.2060 112.4548 61.6978 32.1589 175.6712 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 S 8.33 4.37 0.00 3.88 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 0.00 2 H 7.32 4.08 0.00 3.32 3.26 0.00 5.77 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 G 8.72 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 0.00 0.00 0.00 4 S 7.50 4.31 0.00 3.98 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 5 H 8.24 4.95 0.00 3.13 3.20 0.00 5.69 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.62 4.64 0.00 2.22 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 2.32 2.45 0.00 7 T 8.43 4.27 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 1.28 0.00 0.00 8 D 8.71 4.45 0.00 2.73 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 9 E 8.23 4.07 0.00 2.10 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 2.43 2.51 0.00 10 E 8.12 4.04 0.00 2.27 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 0.00 2.35 2.35 0.00 11 F 8.29 4.11 0.00 3.15 3.31 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 12 D 8.59 4.57 0.00 2.88 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 13 A 8.30 4.00 1.39 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 0.00 0.00 14 R 7.98 3.61 0.00 1.82 1.83 0.00 2.77 0.00 0.00 3.04 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.38 0.00 15 W 7.70 4.11 0.00 3.50 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 16 V 8.00 3.84 2.31 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 0.92 0.00 0.00 1.18 0.00 0.00 17 T 8.29 4.03 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 1.20 0.00 0.00 18 Y 7.73 4.01 0.00 2.83 3.05 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 19 F 8.45 4.45 0.00 3.25 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 20 N 7.93 4.80 0.00 2.87 2.89 0.00 0.00 6.90 7.76 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 21 K 7.24 3.78 0.00 1.71 1.58 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.43 7.81 22 P 0.00 4.25 0.00 2.21 2.17 0.00 3.79 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 23 D 7.92 4.67 0.00 2.80 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 24 I 7.47 3.86 1.88 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.87 1.00 0.00 0.00 25 D 8.63 5.01 0.00 2.97 2.80 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 26 A 8.55 4.03 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.40 4.20 0.00 3.47 3.35 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 28 E 8.77 4.32 0.00 2.25 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 2.80 2.84 0.00 29 L 8.12 4.21 0.00 1.79 1.93 0.97 1.05 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 30 R 8.44 3.90 0.00 1.87 1.83 0.00 3.16 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 31 K 8.14 3.54 0.00 0.79 1.74 0.00 1.25 0.00 0.00 0.90 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.25 1.39 7.81 32 G 8.67 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 33 M 8.25 4.04 0.00 1.96 2.14 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 2.57 2.84 0.00 34 N 8.19 4.27 0.00 2.63 2.79 0.00 0.00 7.14 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 35 T 7.60 3.99 4.48 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 1.28 0.00 0.00 36 L 7.62 3.64 0.00 1.24 1.48 0.13 0.73 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 37 V 7.53 3.78 1.96 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 0.79 0.00 0.00 0.86 0.00 0.00 38 G 7.33 3.59 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 0.00 0.00 0.00 39 Y 6.41 4.64 0.00 3.15 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 40 D 8.17 4.67 0.00 2.62 2.58 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 41 L 6.96 4.39 0.00 1.73 1.54 1.07 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.37 4.02 2.13 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 0.89 0.00 0.00 0.94 0.00 0.00 43 P 0.00 4.47 0.00 2.07 1.97 0.00 3.76 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 1.98 2.11 0.00 44 E 8.84 4.18 0.00 2.12 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 2.52 2.58 0.00 45 P 0.00 4.24 0.00 2.16 2.05 0.00 3.72 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 2.22 2.24 0.00 46 K 8.09 4.10 0.00 2.03 2.11 0.00 1.57 0.00 0.00 1.88 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.72 1.62 7.81 47 I 8.06 3.88 2.02 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.07 1.11 0.00 0.00 48 I 7.72 3.59 1.96 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.81 0.86 0.00 0.00 49 D 8.53 4.19 0.00 2.78 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 50 A 7.85 3.99 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 51 A 7.58 3.57 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.46 3.89 0.00 1.78 1.70 0.88 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.14 4.02 0.00 2.01 1.98 0.00 3.39 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 54 A 8.25 4.00 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 55 C 7.97 4.10 0.00 3.28 3.21 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 56 R 8.16 3.93 0.00 1.94 2.22 0.00 3.20 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 57 R 8.05 3.84 0.00 2.02 2.03 0.00 3.27 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 58 L 8.09 4.37 0.00 1.67 1.72 1.00 1.09 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 59 N 8.46 4.11 0.00 2.80 2.87 0.00 0.00 6.60 7.06 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 60 D 8.65 4.80 0.00 2.62 2.54 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 0.00 0.00 0.00 0.00 61 F 8.87 4.10 0.00 3.20 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 62 A 8.14 3.76 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 63 S 8.39 3.99 0.00 3.96 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 64 A 7.36 3.86 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 65 V 7.06 3.33 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 0.89 0.00 0.00 0.28 0.00 0.00 66 R 7.71 4.47 0.00 1.86 1.96 0.00 3.15 0.00 0.00 3.21 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.48 0.00 67 I 7.82 3.64 1.97 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.00 0.80 0.00 0.00 68 L 7.52 4.12 0.00 1.91 1.84 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 69 E 7.98 3.90 0.00 2.18 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 2.27 2.46 0.00 70 V 7.70 3.48 2.13 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 0.93 0.00 0.00 0.87 0.00 0.00 71 V 7.25 3.55 2.32 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 1.00 0.00 0.00 1.01 0.00 0.00 72 K 7.38 3.79 0.00 0.79 1.48 0.00 0.72 0.00 0.00 1.15 0.00 0.00 2.78 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.12 0.89 7.81 73 D 7.89 4.21 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 74 K 8.46 3.97 0.00 1.88 1.86 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.57 7.81 75 A 8.10 4.18 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.25 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 77 P 0.00 4.56 0.00 2.14 2.10 0.00 3.68 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.84 0.00 78 H 8.10 4.94 0.00 3.36 3.44 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.27 3.94 0.00 1.76 1.96 0.00 1.66 0.00 0.00 1.89 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.58 7.81 80 E 8.31 4.15 0.00 2.06 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 0.00 2.40 2.48 0.00 81 I 7.89 3.78 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 1.42 0.63 1.02 0.00 0.00 82 Y 8.24 4.49 0.00 2.98 3.06 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 83 P 0.00 4.11 0.00 2.23 2.06 0.00 3.92 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 84 Y 7.77 4.03 0.00 3.10 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 85 V 8.03 3.42 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 0.99 0.00 0.00 1.16 0.00 0.00 86 I 7.57 3.53 1.50 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 0.51 0.02 0.73 0.00 0.00 87 Q 7.74 3.95 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.84 0.00 0.00 0.00 0.00 0.00 2.17 2.30 0.00 88 E 7.59 3.99 0.00 1.72 1.81 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 1.51 1.82 0.00 89 L 7.37 4.43 0.00 1.73 1.62 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.62 3.83 0.00 1.93 1.98 0.00 3.28 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.81 0.00 91 P 0.00 4.17 0.00 2.12 2.07 0.00 3.47 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 92 T 7.82 3.98 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 1.20 0.00 0.00 93 L 8.25 3.98 0.00 1.80 1.71 0.87 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 94 N 8.62 4.28 0.00 2.84 2.86 0.00 0.00 6.71 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 95 E 8.39 3.89 0.00 1.94 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 0.00 2.34 2.38 0.00 96 L 8.07 4.23 0.00 1.71 1.74 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 97 G 7.75 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 98 I 7.97 4.49 1.92 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.69 0.92 0.00 0.00 99 S 9.04 4.65 0.00 4.15 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 0.00 100 T 8.39 4.19 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 1.26 0.00 0.00 101 P 0.00 4.29 0.00 2.21 2.15 0.00 3.73 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 2.15 2.18 0.00 102 E 8.07 4.51 0.00 2.12 2.04 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 2.52 2.39 0.00 103 E 7.87 3.99 0.00 2.20 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 2.36 2.38 0.00 104 L 8.25 4.30 0.00 1.64 1.78 1.16 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 105 G 7.94 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 0.00 0.00 0.00 106 L 8.34 4.28 0.00 1.76 1.72 0.93 0.98 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 0.00 107 D 7.97 4.74 0.00 2.82 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 0.00 108 K 7.70 4.83 0.00 1.83 1.78 0.00 1.51 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.41 7.81 109 V 8.21 4.00 2.07 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 0.72 0.00 0.00 0.92 0.00 0.00