NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5971 8.3493 120.4248 53.5500 43.0330 174.1330 2 Y 4.0179 7.5118 121.3667 54.7679 40.4295 168.3097 3 V 3.0965 8.9472 126.6846 62.6585 31.0484 174.7862 4 C 4.5554 8.4444 129.3734 55.6716 40.5192 173.3294 5 G 3.8882 7.7124 111.5156 43.0956 0.0000 169.2598 6 P 4.2597 0.0000 0.0000 65.9816 30.9625 178.6926 7 L 3.9716 7.7790 118.0817 57.6531 41.6762 179.1754 8 Q 3.9646 8.0031 117.5047 58.8188 28.5418 179.0536 9 R 3.7191 7.9291 119.0935 59.1982 30.1168 178.7731 10 L 3.8904 7.6781 118.6382 57.7779 41.5900 179.5715 11 K 3.8600 8.0230 119.1317 59.6055 32.1653 178.8647 12 V 2.9205 7.8529 118.7584 65.5943 31.2345 177.7875 13 K 3.8700 8.4915 118.6055 59.6971 31.9950 179.1493 14 R 3.9564 8.1531 118.5254 59.7167 30.1003 178.5848 15 Q 4.2119 8.6874 118.3264 58.6563 28.7160 178.5349 16 W 4.6829 9.3644 129.7181 60.5355 30.5688 177.4938 17 A 4.0021 8.1335 119.6179 55.5234 17.8544 178.9409 18 E 3.9184 7.9451 115.6557 59.2867 30.0180 178.6127 19 A 3.6424 7.8242 120.7780 54.9398 18.1202 178.5183 20 Y 3.7207 7.5966 114.2907 59.0330 38.9245 177.5497 21 G 3.5232 7.3976 105.7729 46.6757 0.0000 175.1129 22 S 4.2945 9.1433 116.6852 58.9586 63.6286 175.1211 23 G 4.3348 7.0576 119.0932 45.9683 0.0000 171.5707 24 N 4.6458 6.8026 117.2149 54.4389 41.5110 175.8038 25 S 4.2315 7.8341 110.7075 60.1308 63.2080 176.3949 26 R 4.0408 8.2770 123.5838 59.2629 29.6301 178.4772 27 E 3.9820 8.1226 119.0111 59.4157 29.7944 178.3710 28 E 4.1012 8.2033 118.9005 59.0492 29.8078 178.2800 29 F 4.5927 8.7444 121.5096 61.1889 39.4704 177.4161 30 G 3.5924 8.6715 105.7306 48.0795 0.0000 174.7876 31 H 4.1309 8.6894 122.0143 59.1014 29.7649 176.3766 32 F 3.9326 8.7502 122.3780 62.4353 39.0815 176.4057 33 I 3.3885 7.8764 117.4608 64.8549 36.7643 177.8655 34 W 3.6119 8.0827 119.4444 59.9201 29.3584 178.6698 35 S 3.8680 8.2827 113.2166 61.6462 61.9578 175.6622 36 H 3.7972 7.9685 121.1691 59.0384 29.3976 177.0498 37 V 3.3996 7.5071 120.3060 66.2738 30.8175 178.0439 38 F 4.8278 7.6598 116.5187 60.1208 38.5238 177.8405 39 Q 4.0716 7.6264 117.3413 58.8234 28.4666 178.0151 40 H 4.5127 7.8549 116.1984 57.6406 30.5529 176.6674 41 S 4.7999 8.1571 119.4821 55.2355 62.0398 172.7486 42 P 4.4769 0.0000 0.0000 65.0650 30.9459 178.4279 43 A 3.9775 8.0856 119.8493 54.9283 18.3186 178.8976 44 A 4.0062 8.2271 119.3633 55.7592 18.2514 179.7863 45 R 3.4360 7.5475 115.5960 59.7043 29.8128 178.6635 46 D 4.3678 8.1996 117.6948 57.3623 40.8185 178.2979 47 M 4.1235 8.1847 118.1540 56.6373 32.2490 177.2546 48 F 4.7904 8.0405 118.3748 56.9438 40.3919 178.0230 49 K 3.9603 8.1801 120.5594 59.4146 32.1564 178.6398 50 R 4.0946 7.9812 117.9618 58.2260 30.3469 176.7649 51 V 4.4459 7.3938 110.7899 61.5845 32.4807 175.1180 52 R 4.0829 7.7390 112.5695 55.7207 27.7436 178.5836 53 G 3.8310 8.2751 106.2935 47.4389 0.0000 174.8925 54 D 4.2358 7.8678 119.5777 54.8840 40.4381 175.0296 55 N 4.9461 8.3332 118.3216 51.2046 39.7060 174.3868 56 I 3.1274 7.8362 118.5780 62.5696 38.1859 176.1222 57 H 4.7849 7.3086 118.6950 56.2935 28.5709 176.1005 58 T 4.7526 7.5402 115.3424 60.2237 73.4312 172.3623 59 P 4.1158 0.0000 0.0000 66.2875 31.0814 178.3174 60 A 3.9804 8.0720 119.6867 55.0809 18.2894 179.3007 61 F 3.9064 8.1641 118.2813 61.3738 39.6035 177.1399 62 R 4.0103 9.0126 118.6557 59.5409 29.6712 178.8227 63 A 4.0587 8.0489 120.8943 54.7037 18.6404 178.8578 64 H 3.9845 7.7551 116.0323 59.3883 29.8408 177.0634 65 A 3.6738 7.5231 122.7379 55.5424 18.0203 179.5703 66 T 3.9030 7.8596 113.9049 67.0605 68.5232 176.8929 67 R 4.0521 7.8501 119.7053 59.4243 30.0284 178.9530 68 V 3.6453 7.5972 117.4739 66.1300 31.6240 177.6598 69 L 4.3221 8.6886 118.9159 57.9124 41.5838 180.0491 70 G 3.8721 8.4789 105.7424 47.7257 0.0000 175.8851 71 G 3.6364 8.4038 108.9675 47.4711 0.0000 175.1249 72 L 3.7498 8.2041 123.9363 57.8495 41.8749 178.5700 73 D 3.7624 8.2390 117.9028 57.4136 41.1545 177.9855 74 M 3.9991 7.8369 119.0172 58.7011 32.1500 178.2863 75 C 3.9454 7.8689 116.4820 63.2058 28.1595 176.4727 76 I 3.4835 7.3838 119.4768 64.2746 36.6306 178.1481 77 A 4.1323 8.0314 121.1356 54.5307 18.5600 178.8567 78 L 4.2278 8.2337 116.4971 55.6128 41.7713 178.5980 79 L 4.0099 7.3223 119.2518 57.7574 41.6422 177.9514 80 D 4.4987 7.9764 115.8268 54.4119 40.4530 176.2278 81 D 4.7453 8.0948 121.6116 51.6401 40.5008 175.4304 82 E 3.8363 8.2732 124.6874 58.5287 29.8625 175.8101 83 P 4.1962 0.0000 0.0000 66.4615 31.1207 178.3715 84 V 3.5868 7.8767 118.7000 64.6913 31.3706 177.6693 85 L 3.8960 8.2714 120.7154 58.4812 41.9237 178.9356 86 N 4.3943 8.2391 116.0905 56.3977 38.5069 177.5948 87 T 3.8737 7.7023 117.3512 66.5522 68.4317 176.4646 88 Q 3.9357 8.1235 121.3607 59.2721 29.1000 177.8471 89 L 3.9480 8.5690 120.1600 57.8643 41.6338 179.4871 90 A 3.9656 8.4193 120.8823 55.4160 18.4665 178.9441 91 H 4.0213 7.9999 116.2916 59.6376 29.6837 177.3342 92 L 4.2441 8.1318 119.2893 57.6594 41.6500 178.9794 93 A 4.4383 8.1493 122.3206 54.7725 17.9108 179.9393 94 K 3.9195 8.1792 116.6691 59.5965 31.8468 179.3787 95 Q 3.7726 7.8815 116.8364 58.0481 28.5976 177.0585 96 H 4.6852 8.4104 116.6575 57.4473 29.8996 177.3716 97 E 3.3273 7.7302 117.2168 58.2891 31.4916 178.1532 98 T 3.9582 7.7849 117.0689 66.6505 69.2065 174.7985 99 R 3.7314 7.3214 117.8060 56.5269 31.1554 177.7302 100 G 3.8856 8.3187 112.4839 44.6720 0.0000 175.1796 101 V 3.9380 7.4555 111.0820 61.0916 32.4754 177.0872 102 E 4.3586 8.5833 124.5551 55.3178 30.8126 177.8587 103 A 4.0559 8.7252 121.8715 55.6034 18.4175 179.9292 104 A 4.2362 8.1421 118.5448 55.5584 18.3435 179.5048 105 H 4.3241 8.1486 114.6540 59.4558 28.8385 177.5992 106 Y 4.0710 8.3199 118.0793 60.9206 37.6702 177.9284 107 D 4.4447 8.2933 119.9935 57.8730 40.9911 178.7811 108 T 3.8283 7.9601 115.9861 66.6745 68.4804 176.4809 109 V 3.2431 7.8208 119.7368 66.1758 31.4919 177.7424 110 N 4.2970 8.6473 116.1833 56.6811 38.3860 176.4848 111 H 4.1168 8.5558 119.5120 59.4108 29.9074 176.6330 112 A 3.8225 8.3535 122.5175 55.3566 18.1726 179.5833 113 V 3.4017 7.9598 116.7819 66.5261 31.5062 178.1343 114 M 3.7237 8.0647 118.1481 58.4347 31.8167 178.4694 115 M 3.8811 8.2245 119.3114 58.3119 32.0573 178.8982 116 G 3.3668 8.6082 105.8863 47.7793 0.0000 175.6971 117 V 3.3703 8.0008 121.4718 65.4242 31.4997 177.5553 118 E 3.2472 7.7607 119.1471 59.0729 29.0862 177.9333 119 N 3.9256 7.7939 115.9750 56.7498 38.7943 176.6051 120 V 3.5803 6.9636 118.0246 65.6516 31.9153 177.5916 121 I 4.1079 7.5716 109.9764 60.5843 37.7708 176.6589 122 G 4.0165 8.1043 108.5944 45.7494 0.0000 174.8757 123 S 4.4143 8.3948 115.8779 60.9969 63.4192 175.3325 124 E 3.9666 8.3087 119.9993 58.7638 29.1895 177.6925 125 V 4.2591 6.8889 123.1507 60.4713 31.8588 175.6076 126 F 4.8481 8.1776 124.7015 57.3180 40.1698 171.8468 127 D 4.3064 8.5969 126.5337 54.0874 40.1963 176.6344 128 Q 3.5857 8.1109 128.4675 58.7491 29.3930 177.3326 129 D 4.5463 7.6381 114.0625 55.3130 41.1325 176.4651 130 A 4.5114 7.6830 120.2862 53.5656 20.6152 178.3855 131 W 3.9503 8.1334 117.1808 60.3453 29.1038 178.2906 132 K 4.0900 8.3334 118.4551 59.7344 31.6974 176.5114 133 P 4.2840 0.0000 0.0000 66.3083 31.3687 179.1435 134 C 4.2802 8.2650 116.5986 59.4940 38.2594 176.1302 135 L 3.9595 8.8093 121.2253 57.8015 41.1016 179.2408 136 N 4.3566 7.9962 116.2899 56.2454 37.9510 177.3019 137 V 3.4755 7.7939 119.6478 66.2301 31.4864 178.2900 138 I 3.7193 7.3945 119.1618 64.6159 37.0444 178.3791 139 T 3.9124 8.2182 116.8755 66.9793 68.1913 176.4592 140 N 4.5795 8.7976 117.7693 55.7286 38.5973 177.6196 141 G 3.6620 7.5358 106.4952 47.9384 0.0000 176.1100 142 I 3.7702 7.7800 122.9680 63.5136 36.7889 178.0325 143 Q 3.6459 7.8530 120.6198 59.6581 28.8235 177.1303 144 G 4.0167 7.5715 111.3346 45.8092 0.0000 173.2429 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 D 8.35 4.60 0.00 2.39 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 2 Y 7.51 4.02 0.00 2.99 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 3 V 8.95 3.10 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 0.74 0.00 0.00 0.95 0.00 0.00 4 C 8.44 4.56 0.00 2.91 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 5 G 7.71 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 6 P 0.00 4.26 0.00 2.25 2.31 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 7 L 7.78 3.97 0.00 1.69 1.73 0.91 0.99 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 8 Q 8.00 3.96 0.00 1.97 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 9 R 7.93 3.72 0.00 1.96 1.88 0.00 3.09 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.87 0.00 10 L 7.68 3.89 0.00 1.89 1.71 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.02 3.86 0.00 1.83 1.93 0.00 1.78 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.45 7.81 12 V 7.85 2.92 1.70 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 -0.64 0.00 0.00 0.28 0.00 0.00 13 K 8.49 3.87 0.00 1.97 1.88 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.50 7.81 14 R 8.15 3.96 0.00 1.91 1.97 0.00 3.12 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 1.68 1.72 0.00 15 Q 8.69 4.21 0.00 2.66 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.59 2.69 0.00 16 W 9.36 4.68 0.00 3.67 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 17 A 8.13 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 18 E 7.95 3.92 0.00 2.01 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 0.00 2.24 2.29 0.00 19 A 7.82 3.64 0.81 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 20 Y 7.60 3.72 0.00 1.43 2.40 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 21 G 7.40 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 22 S 9.14 4.29 0.00 3.79 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 23 G 7.06 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 0.00 0.00 0.00 0.00 24 N 6.80 4.65 0.00 2.69 2.59 0.00 0.00 6.85 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 25 S 7.83 4.23 0.00 4.03 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 26 R 8.28 4.04 0.00 1.81 2.06 0.00 2.85 0.00 0.00 2.54 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.34 0.00 27 E 8.12 3.98 0.00 2.07 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 2.45 2.42 0.00 28 E 8.20 4.10 0.00 2.12 2.11 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 2.46 2.44 0.00 29 F 8.74 4.59 0.00 3.08 3.25 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 30 G 8.67 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 31 H 8.69 4.13 0.00 3.33 3.60 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 F 8.75 3.93 0.00 3.30 3.25 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 33 I 7.88 3.39 1.66 0.00 0.00 0.20 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 0.40 0.20 0.00 0.00 34 W 8.08 3.61 0.00 3.51 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 3.87 0.00 3.55 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 36 H 7.97 3.80 0.00 2.62 3.08 0.00 5.85 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.51 3.40 1.58 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 0.94 0.00 0.00 0.26 0.00 0.00 38 F 7.66 4.83 0.00 3.11 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 Q 7.63 4.07 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.97 0.00 0.00 0.00 0.00 0.00 2.33 2.59 0.00 40 H 7.85 4.51 0.00 3.30 3.31 0.00 5.60 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.16 4.80 0.00 3.98 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 42 P 0.00 4.48 0.00 2.25 2.34 0.00 3.96 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 2.10 1.93 0.00 43 A 8.09 3.98 1.38 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 44 A 8.23 4.01 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 0.00 0.00 0.00 0.00 0.00 45 R 7.55 3.44 0.00 1.73 1.69 0.00 2.81 0.00 0.00 2.83 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.59 0.00 46 D 8.20 4.37 0.00 2.71 2.73 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 47 M 8.18 4.12 0.00 1.55 1.58 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.51 0.00 48 F 8.04 4.79 0.00 3.15 3.04 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 0.00 0.00 0.00 49 K 8.18 3.96 0.00 1.72 1.87 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.43 1.54 7.81 50 R 7.98 4.09 0.00 1.74 1.93 0.00 3.17 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 51 V 7.39 4.45 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 0.77 0.00 0.00 0.96 0.00 0.00 52 R 7.74 4.08 0.00 2.07 2.01 0.00 3.60 0.00 0.00 3.32 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.55 0.00 53 G 8.28 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 0.00 0.00 0.00 54 D 7.87 4.24 0.00 2.76 2.85 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 0.00 0.00 0.00 55 N 8.33 4.95 0.00 2.65 2.67 0.00 0.00 6.83 7.39 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 56 I 7.84 3.13 1.39 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.25 -0.10 0.00 0.00 57 H 7.31 4.78 0.00 3.25 3.39 0.00 5.79 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 7.54 4.75 4.40 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 1.28 0.00 0.00 59 P 0.00 4.12 0.00 2.28 2.37 0.00 3.75 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 2.12 2.09 0.00 60 A 8.07 3.98 1.38 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 61 F 8.16 3.91 0.00 3.27 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 62 R 9.01 4.01 0.00 2.02 2.05 0.00 3.24 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.91 0.00 63 A 8.05 4.06 1.38 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 64 H 7.76 3.98 0.00 2.98 2.71 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.52 3.67 1.31 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 66 T 7.86 3.90 4.43 0.00 0.00 0.00 0.00 0.00 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 67 R 7.85 4.05 0.00 1.96 1.97 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 68 V 7.60 3.65 2.41 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 1.43 0.00 0.00 0.78 0.00 0.00 69 L 8.69 4.32 0.00 2.17 2.19 1.09 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.48 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 71 G 8.40 3.64 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 0.00 0.00 0.00 72 L 8.20 3.75 0.00 1.79 1.67 0.80 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.24 3.76 0.00 2.62 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 74 M 7.84 4.00 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.62 0.00 75 C 7.87 3.95 0.00 2.98 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 76 I 7.38 3.48 1.40 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.12 0.66 0.00 0.00 77 A 8.03 4.13 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 78 L 8.23 4.23 0.00 1.81 1.67 0.91 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.32 4.01 0.00 1.71 1.69 0.75 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 80 D 7.98 4.50 0.00 2.74 2.76 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 81 D 8.09 4.75 0.00 2.60 2.55 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 0.00 0.00 0.00 0.00 82 E 8.27 3.84 0.00 2.09 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 2.37 2.63 0.00 83 P 0.00 4.20 0.00 2.29 2.30 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.03 0.00 84 V 7.88 3.59 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 0.98 0.00 0.00 1.00 0.00 0.00 85 L 8.27 3.90 0.00 1.96 1.91 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 86 N 8.24 4.39 0.00 2.85 2.84 0.00 0.00 7.12 6.33 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 87 T 7.70 3.87 4.43 0.00 0.00 0.00 0.00 0.00 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 88 Q 8.12 3.94 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 89 L 8.57 3.95 0.00 1.83 1.72 0.89 1.07 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 90 A 8.42 3.97 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 91 H 8.00 4.02 0.00 3.32 3.55 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.13 4.24 0.00 1.90 1.81 0.96 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.15 4.44 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 94 K 8.18 3.92 0.00 1.92 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.61 7.81 95 Q 7.88 3.77 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.56 0.00 96 H 8.41 4.69 0.00 3.42 3.44 0.00 5.83 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 97 E 7.73 3.33 0.00 2.03 1.87 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 2.32 2.35 0.00 98 T 7.78 3.96 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 1.20 0.00 0.00 99 R 7.32 3.73 0.00 2.01 1.85 0.00 3.08 0.00 0.00 3.11 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 100 G 8.32 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 0.00 101 V 7.46 3.94 2.33 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 0.75 0.00 0.00 1.21 0.00 0.00 102 E 8.58 4.36 0.00 1.82 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 0.00 2.47 2.15 0.00 103 A 8.73 4.06 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 0.00 104 A 8.14 4.24 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 0.00 105 H 8.15 4.32 0.00 3.59 3.34 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 8.32 4.07 0.00 3.21 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 0.00 107 D 8.29 4.44 0.00 3.02 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 0.00 108 T 7.96 3.83 4.41 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 1.19 0.00 0.00 109 V 7.82 3.24 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 0.86 0.00 0.00 0.65 0.00 0.00 110 N 8.65 4.30 0.00 3.11 2.95 0.00 0.00 6.68 8.16 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 0.00 111 H 8.56 4.12 0.00 3.21 3.60 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 A 8.35 3.82 1.13 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 0.00 113 V 7.96 3.40 2.23 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 1.07 0.00 0.00 0.84 0.00 0.00 114 M 8.06 3.72 0.00 2.28 2.29 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.89 2.74 0.00 115 M 8.22 3.88 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.58 0.00 116 G 8.61 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 0.00 0.00 0.00 117 V 8.00 3.37 1.52 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 0.83 0.00 0.00 0.63 0.00 0.00 118 E 7.76 3.25 0.00 1.16 1.48 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 2.00 1.86 0.00 119 N 7.79 3.93 0.00 2.04 2.37 0.00 0.00 7.26 7.59 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 0.00 120 V 6.96 3.58 1.87 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 0.67 0.00 0.00 0.61 0.00 0.00 121 I 7.57 4.11 1.89 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.84 0.95 0.00 0.00 122 G 8.10 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 0.00 0.00 0.00 123 S 8.39 4.41 0.00 4.02 4.18 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 0.00 124 E 8.31 3.97 0.00 1.98 2.11 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 2.33 2.41 0.00 125 V 6.89 4.26 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 0.74 0.00 0.00 1.04 0.00 0.00 126 F 8.18 4.85 0.00 3.04 3.03 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 0.00 127 D 8.60 4.31 0.00 2.66 2.55 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 0.00 0.00 0.00 0.00 128 Q 8.11 3.59 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.48 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 129 D 7.64 4.55 0.00 2.83 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 0.00 130 A 7.68 4.51 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 0.00 131 W 8.13 3.95 0.00 3.35 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 0.00 132 K 8.33 4.09 0.00 2.01 1.97 0.00 1.60 0.00 0.00 1.80 0.00 0.00 3.17 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.63 7.81 133 P 0.00 4.28 0.00 2.42 2.39 0.00 3.72 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 134 C 8.26 4.28 0.00 2.94 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 0.00 135 L 8.81 3.96 0.00 2.07 1.99 1.29 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 136 N 8.00 4.36 0.00 2.92 2.87 0.00 0.00 6.61 9.03 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 0.00 137 V 7.79 3.48 2.21 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 0.99 0.00 0.00 0.94 0.00 0.00 138 I 7.39 3.72 2.02 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.76 0.89 0.00 0.00 139 T 8.22 3.91 4.40 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 1.06 0.00 0.00 140 N 8.80 4.58 0.00 2.63 2.82 0.00 0.00 7.13 7.53 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 0.00 141 G 7.54 3.66 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 0.00 0.00 0.00 142 I 7.78 3.77 2.08 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.37 0.98 0.00 0.00 143 Q 7.85 3.65 0.00 1.81 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.94 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 144 G 7.57 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 0.00 0.00 0.00