NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5229 8.1933 115.4129 58.4358 65.3593 175.8682 2 N 4.0302 8.1969 118.0639 55.5142 38.4372 174.9520 3 I 4.7986 8.1575 118.0096 60.6741 39.1927 175.8429 4 I 4.6858 8.0869 116.1487 61.5899 40.1633 175.6313 5 K 4.4566 8.1081 118.5141 57.6761 34.5825 178.6962 6 Q 4.2540 7.9957 116.2029 57.7163 28.3555 177.9651 7 L 4.4423 8.2468 122.4803 57.2706 42.3963 178.1212 8 E 4.1518 7.9596 117.4172 59.3980 29.6102 178.7028 9 Q 4.0148 8.1072 118.7611 58.6695 28.8187 178.2495 10 E 4.1034 8.2329 117.3864 58.2339 29.7058 177.9996 11 Q 4.9812 7.7037 115.9199 55.1455 28.2367 175.1197 12 M 4.4079 7.4881 115.0106 56.9035 35.0740 175.0081 13 K 3.9913 7.9182 128.0952 57.2349 32.2205 177.3492 14 Q 4.5260 8.8399 128.3433 55.2969 30.3100 172.5899 15 D 5.0412 7.8565 121.9089 52.5091 45.5089 175.9429 16 V 4.5925 7.8745 115.0696 61.1557 31.1042 172.2073 17 P 4.0879 0.0000 0.0000 64.8009 32.3649 177.8055 18 S 4.6119 8.2525 109.0447 58.5052 66.1356 175.4469 19 F 3.5608 8.4096 114.8773 58.3943 36.8743 174.9636 20 R 4.2775 7.8169 115.6106 55.1778 33.2097 171.6659 21 P 4.9843 0.0000 0.0000 61.1503 33.2576 175.9085 22 G 3.9517 8.3350 110.5164 45.8801 0.0000 172.6551 23 D 3.9365 8.9217 121.1482 58.0610 42.4904 175.6461 24 T 3.6781 7.8972 123.7014 65.4695 66.7154 172.3591 25 V 4.0342 8.1615 127.5978 61.6315 30.3045 177.0048 26 E 4.3061 8.6830 125.3824 56.3242 28.8336 177.6840 27 V 3.2917 8.5100 118.8757 61.8034 31.3327 175.9129 28 K 3.7937 8.1716 123.3495 56.1811 32.0637 177.4435 29 V 3.8335 7.9904 126.2148 61.4386 30.8947 174.1117 30 W 4.7346 8.6098 125.8431 56.5928 29.4056 175.4855 31 V 4.3975 8.4772 124.0412 60.8079 33.1314 176.1052 32 V 3.5913 8.1454 128.5081 65.5547 31.8605 178.9389 33 E 3.6728 9.0975 118.5944 56.4119 29.9352 173.2671 34 G 3.4395 11.1459 105.3987 45.6182 0.0000 175.4639 35 S 3.7458 7.8898 115.5402 56.7307 62.7102 168.7881 36 K 4.6932 7.9588 119.9206 54.8177 35.9651 177.9149 37 K 3.6338 8.1622 119.5681 57.9305 30.8331 176.0864 38 R 4.2405 8.4915 132.8670 55.9391 29.6687 174.2848 39 L 3.4274 8.5967 119.9892 54.9400 40.4483 173.0973 40 Q 3.8525 8.4477 123.9300 53.2277 28.7434 174.0178 41 A 3.5572 8.3852 129.1902 51.9347 19.1535 177.1126 42 F 5.2410 7.5684 112.7545 55.5110 40.9052 173.9673 43 E 5.0588 8.8619 121.4733 54.9205 33.2789 176.4151 44 G 4.2829 8.2377 113.4469 45.2181 0.0000 172.2151 45 V 4.4887 7.9413 119.0037 61.0751 35.0368 175.9090 46 V 3.8590 8.4789 127.4129 63.7885 32.2817 174.4778 47 I 4.6816 7.9014 123.3570 60.5936 41.6002 173.8522 48 A 4.6345 8.4643 120.6547 53.9085 25.4841 173.2118 49 I 4.3574 8.7532 120.4545 61.6838 37.3030 173.4498 50 R 4.8030 7.9448 121.2172 55.4075 34.8860 172.7671 51 N 4.7191 7.4872 121.4708 51.2106 38.0368 175.0371 52 R 4.9401 8.4219 115.3787 56.7371 33.3095 174.7561 53 G 4.1337 8.0525 110.8567 44.8576 0.0000 171.8094 54 L 3.4355 7.4258 127.2220 56.8384 46.4804 174.0154 55 H 3.6493 8.8530 116.5998 56.3481 26.4060 176.9162 56 S 4.2185 7.4244 113.3326 59.3093 61.9392 172.3027 57 A 4.7295 7.8861 123.1202 50.3651 19.2596 176.2832 58 F 4.5757 8.6155 126.8493 56.8163 38.1510 178.1598 59 T 4.2299 7.2844 117.1544 63.5775 67.1015 175.8006 60 V 3.9485 7.6790 123.2326 62.4565 36.0868 174.5432 61 R 3.7807 8.7094 115.3031 57.1777 26.0716 176.9074 62 K 4.8326 8.1598 117.7348 56.7872 33.7262 177.8428 63 I 4.5419 8.6029 126.2690 59.6869 39.3243 174.9226 64 S 4.8676 8.5661 123.2604 56.4321 63.7129 173.8578 65 N 4.6068 8.7655 123.1907 53.4571 39.3510 176.0688 66 G 4.0329 8.5786 107.7571 44.9757 0.0000 173.4142 67 E 3.7569 8.4044 118.3032 57.6837 29.0421 175.6223 68 G 4.1270 8.4865 113.6162 45.4697 0.0000 174.3964 69 V 4.1594 7.4584 116.1705 60.2030 32.8844 176.6061 70 E 4.6042 9.1714 111.8662 56.0037 34.1715 176.7943 71 R 3.4716 8.1179 124.0764 57.1194 29.9299 175.2467 72 V 2.8744 7.3670 108.6503 61.2365 33.0462 174.1042 73 F 4.3805 7.3399 120.5576 57.9346 42.1212 174.4903 74 Q 4.6749 8.0576 121.4024 55.4654 29.3373 173.9269 75 T 4.1985 8.3506 111.1524 61.2819 69.3593 173.4276 76 H 4.3498 9.1681 122.2202 58.7550 28.0341 175.1278 77 S 4.5564 8.8715 123.1534 59.4071 69.7544 174.6690 78 P 4.6253 0.0000 0.0000 61.8242 33.5088 178.8753 79 V 3.0518 7.8697 113.4726 63.0226 30.1246 175.4941 80 V 3.8939 8.3423 126.3152 62.8262 30.5048 175.6021 81 D 4.9960 7.6589 121.2890 52.7951 40.6841 176.6642 82 S 4.7480 7.7627 132.1000 57.4857 62.6272 177.6465 83 I 3.6287 8.4652 121.2335 62.0960 36.7693 175.7011 84 S 4.7238 8.3644 117.3276 57.5969 64.4731 176.2905 85 V 3.6530 7.7939 120.1965 66.0866 31.7165 176.2361 86 K 3.9695 7.4504 119.5916 56.8725 32.4305 176.1447 87 R 4.5476 8.3236 121.8596 54.8436 32.9813 174.7288 88 R 4.4430 8.7814 122.3683 56.1299 32.4668 175.6222 89 G 4.5028 8.0669 104.5150 42.9229 0.0000 172.3871 90 A 4.5168 8.5998 128.3926 52.2459 18.2446 179.5107 91 V 4.3041 8.7264 122.3637 62.6047 31.0718 175.6303 92 R 3.9647 9.3928 112.8514 56.2957 27.8029 175.7562 93 K 4.0622 7.7922 115.7047 56.2508 30.3081 175.9378 94 A 4.3372 8.2640 126.3347 52.8672 19.9545 177.9591 95 K 4.2972 7.8427 112.9563 55.0933 33.4817 176.8374 96 L 3.0032 7.5713 116.4670 56.2893 40.7757 172.7046 97 Y 4.0665 5.3700 114.2097 59.3521 39.4688 175.4206 98 Y 3.1958 8.4543 117.7880 58.9595 34.2059 170.5652 99 L 4.6518 7.3647 121.6845 53.4892 41.4971 174.1715 100 R 4.4023 7.9274 119.2056 54.4816 29.5317 175.4810 101 E 4.3752 8.4478 121.7354 56.2294 32.5164 177.3040 102 R 3.6038 7.5305 116.2200 57.7811 27.6184 175.6083 103 T 4.6915 7.5957 114.0023 61.9582 71.5708 175.2260 104 G 4.3512 8.0697 111.9017 44.5196 0.0000 173.8653 105 K 4.2084 7.7897 128.2019 56.8364 38.4184 176.6634 106 A 3.9995 9.4734 114.7453 52.4985 17.8942 178.8870 107 A 4.4136 7.6008 122.7808 51.9259 17.8886 177.8074 108 R 4.5668 8.0482 119.5654 55.4019 32.4665 177.2366 109 I 4.2304 7.7470 120.7684 58.7569 36.7690 173.6061 110 K 4.0361 8.2816 125.6143 56.0204 31.7037 178.9949 111 E 4.3739 8.1719 126.6966 54.4369 29.2087 178.2556 112 R 3.6652 8.8329 120.7840 57.7956 28.5053 176.1509 113 L 4.1169 7.9829 119.5805 55.1730 40.8800 176.4513 114 N 4.6199 8.4331 122.1183 53.1914 39.0930 174.8331 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 8.19 4.52 0.00 4.02 4.19 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 2 N 8.20 4.03 0.00 2.82 2.94 0.00 0.00 6.66 6.57 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 3 I 8.16 4.80 1.87 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 1.42 0.60 0.97 0.00 0.00 4 I 8.09 4.69 1.94 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 1.30 0.48 0.91 0.00 0.00 5 K 8.11 4.46 0.00 1.82 1.75 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.52 7.81 6 Q 8.00 4.25 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 7 L 8.25 4.44 0.00 1.55 1.70 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 8 E 7.96 4.15 0.00 2.26 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 0.00 2.45 2.35 0.00 9 Q 8.11 4.01 0.00 2.41 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 10 E 8.23 4.10 0.00 2.12 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 0.00 2.45 2.28 0.00 11 Q 7.70 4.98 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 12 M 7.49 4.41 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 13 K 7.92 3.99 0.00 1.95 1.76 0.00 1.79 0.00 0.00 1.92 0.00 0.00 2.13 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.37 1.45 7.81 14 Q 8.84 4.53 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.33 6.28 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 15 D 7.86 5.04 0.00 2.53 2.50 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 16 V 7.87 4.59 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 0.94 0.00 0.00 0.99 0.00 0.00 17 P 0.00 4.09 0.00 2.14 1.88 0.00 3.55 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.98 0.00 18 S 8.25 4.61 0.00 3.84 3.78 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 19 F 8.41 3.56 0.00 3.04 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 R 7.82 4.28 0.00 1.80 1.83 0.00 3.36 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 21 P 0.00 4.98 0.00 2.34 2.08 0.00 3.83 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.97 0.00 22 G 8.33 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 0.00 0.00 0.00 23 D 8.92 3.94 0.00 2.77 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 24 T 7.90 3.68 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 1.24 0.00 0.00 25 V 8.16 4.03 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 1.08 0.00 0.00 1.10 0.00 0.00 26 E 8.68 4.31 0.00 1.95 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 2.29 2.28 0.00 27 V 8.51 3.29 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 0.66 0.00 0.00 0.99 0.00 0.00 28 K 8.17 3.79 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.57 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.90 0.61 7.81 29 V 7.99 3.83 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 0.82 0.00 0.00 0.86 0.00 0.00 30 W 8.61 4.73 0.00 3.19 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 31 V 8.48 4.40 1.94 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 0.98 0.00 0.00 0.71 0.00 0.00 32 V 8.15 3.59 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 0.84 0.00 0.00 0.84 0.00 0.00 33 E 9.10 3.67 0.00 2.41 1.67 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 0.00 2.33 2.47 0.00 34 G 11.15 3.44 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 0.00 35 S 7.89 3.75 0.00 4.11 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 36 K 7.96 4.69 0.00 1.72 1.67 0.00 2.00 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.42 7.81 37 K 8.16 3.63 0.00 1.95 1.38 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.36 7.81 38 R 8.49 4.24 0.00 1.77 1.72 0.00 3.56 0.00 0.00 3.23 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 39 L 8.60 3.43 0.00 1.78 1.66 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.45 3.85 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.15 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 41 A 8.39 3.56 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 42 F 7.57 5.24 0.00 3.27 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 43 E 8.86 5.06 0.00 2.01 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 2.32 2.30 0.00 44 G 8.24 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 0.00 0.00 0.00 0.00 45 V 7.94 4.49 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 0.91 0.00 0.00 0.87 0.00 0.00 46 V 8.48 3.86 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 0.86 0.00 0.00 0.98 0.00 0.00 47 I 7.90 4.68 1.93 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.20 0.90 0.00 0.00 48 A 8.46 4.63 1.27 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 0.00 0.00 0.00 49 I 8.75 4.36 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.05 0.97 0.00 0.00 50 R 7.94 4.80 0.00 1.79 1.57 0.00 3.14 0.00 0.00 3.36 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 51 N 7.49 4.72 0.00 2.74 2.30 0.00 0.00 5.88 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 52 R 8.42 4.94 0.00 1.80 1.81 0.00 3.10 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.46 0.00 53 G 8.05 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.43 3.44 0.00 1.44 1.29 0.63 0.82 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 55 H 8.85 3.65 0.00 3.15 3.21 0.00 5.81 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.42 4.22 0.00 4.08 4.09 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 57 A 7.89 4.73 1.27 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 0.00 0.00 0.00 58 F 8.62 4.58 0.00 2.98 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 59 T 7.28 4.23 4.12 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 0.96 0.00 0.00 60 V 7.68 3.95 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 0.65 0.00 0.00 1.08 0.00 0.00 61 R 8.71 3.78 0.00 2.01 2.08 0.00 3.23 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 62 K 8.16 4.83 0.00 1.65 1.76 0.00 1.62 0.00 0.00 1.99 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.34 7.81 63 I 8.60 4.54 1.95 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.13 0.91 0.00 0.00 64 S 8.57 4.87 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 65 N 8.77 4.61 0.00 2.70 2.79 0.00 0.00 6.69 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 66 G 8.58 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 0.00 0.00 0.00 67 E 8.40 3.76 0.00 2.08 2.00 0.00 0.00 0.00 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 2.33 0.00 68 G 8.49 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.46 4.16 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 0.80 0.00 0.00 0.93 0.00 0.00 70 E 9.17 4.60 0.00 1.93 1.85 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 0.00 2.20 2.30 0.00 71 R 8.12 3.47 0.00 1.95 1.95 0.00 3.32 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 72 V 7.37 2.87 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 0.64 0.00 0.00 0.87 0.00 0.00 73 F 7.34 4.38 0.00 3.14 2.97 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 74 Q 8.06 4.67 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.96 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 75 T 8.35 4.20 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 1.14 0.00 0.00 76 H 9.17 4.35 0.00 3.23 3.24 0.00 5.67 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.87 4.56 0.00 3.78 3.77 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 78 P 0.00 4.63 0.00 2.05 2.00 0.00 3.87 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 79 V 7.87 3.05 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 0.89 0.00 0.00 0.92 0.00 0.00 80 V 8.34 3.89 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 0.86 0.00 0.00 0.94 0.00 0.00 81 D 7.66 5.00 0.00 2.73 2.66 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 0.00 0.00 0.00 0.00 82 S 7.76 4.75 0.00 3.86 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 83 I 8.47 3.63 1.75 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 1.48 1.08 1.02 0.00 0.00 84 S 8.36 4.72 0.00 3.91 4.01 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 85 V 7.79 3.65 2.12 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 0.99 0.00 0.00 0.95 0.00 0.00 86 K 7.45 3.97 0.00 1.77 1.72 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.49 7.81 87 R 8.32 4.55 0.00 1.77 1.80 0.00 3.27 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.76 0.00 88 R 8.78 4.44 0.00 1.71 1.87 0.00 3.22 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 89 G 8.07 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 90 A 8.60 4.52 1.08 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 91 V 8.73 4.30 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 1.02 0.00 0.00 0.97 0.00 0.00 92 R 9.39 3.96 0.00 1.99 2.16 0.00 3.33 0.00 0.00 3.42 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.66 0.00 93 K 7.79 4.06 0.00 1.71 1.61 0.00 1.11 0.00 0.00 1.35 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.30 7.81 94 A 8.26 4.34 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 95 K 7.84 4.30 0.00 1.69 1.77 0.00 1.94 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.42 7.81 96 L 7.57 3.00 0.00 1.56 0.59 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 5.37 4.07 0.00 3.49 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 98 Y 8.45 3.20 0.00 3.31 3.14 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 99 L 7.36 4.65 0.00 1.70 1.55 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.93 4.40 0.00 1.86 1.91 0.00 3.38 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 101 E 8.45 4.38 0.00 1.88 1.94 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 2.19 2.34 0.00 102 R 7.53 3.60 0.00 1.87 2.05 0.00 3.16 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 103 T 7.60 4.69 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 1.21 0.00 0.00 104 G 8.07 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 0.00 0.00 0.00 105 K 7.79 4.21 0.00 1.88 1.29 0.00 1.51 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.37 7.81 106 A 9.47 4.00 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 0.00 107 A 7.60 4.41 1.27 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 0.00 0.00 0.00 108 R 8.05 4.57 0.00 1.77 1.85 0.00 3.19 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 109 I 7.75 4.23 1.85 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 1.29 0.85 0.89 0.00 0.00 110 K 8.28 4.04 0.00 1.70 1.78 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.43 7.81 111 E 8.17 4.37 0.00 2.06 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 2.44 2.35 0.00 112 R 8.83 3.67 0.00 1.92 2.01 0.00 3.37 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 113 L 7.98 4.12 0.00 1.58 1.62 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.43 4.62 0.00 2.71 2.66 0.00 0.00 7.01 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