NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2167 8.2649 123.5811 51.5751 18.8852 176.0299 3 R 4.6471 8.4773 121.8070 56.9532 29.1131 174.7483 4 I 4.2110 8.5724 125.3615 61.3053 39.6313 175.0046 5 A 4.6838 7.5143 121.5780 49.5931 22.2377 173.5697 6 G 4.0793 8.7183 108.4302 46.2932 0.0000 172.8465 7 V 3.4389 8.4410 117.3803 61.5173 29.8084 173.6373 8 E 4.3283 9.4464 118.8523 56.6117 29.9243 176.8145 9 I 4.6237 7.7628 122.1043 60.3470 39.0473 172.6957 10 P 4.4124 0.0000 0.0000 62.0678 32.8460 175.5882 11 R 4.1588 8.0954 117.0349 56.2220 32.4411 173.3664 12 N 4.0556 8.8566 115.5873 54.0978 37.9830 172.8268 13 K 4.6857 7.5754 114.5448 54.0535 36.0760 175.5740 14 R 4.4927 8.1934 119.5887 56.0629 31.7939 178.3034 15 V 3.6821 8.2337 120.7522 65.9576 31.4555 177.9363 16 D 4.5979 8.1221 116.2856 55.1262 39.4859 177.1582 17 V 4.2576 7.6541 118.7581 64.0198 33.1994 176.8787 18 A 4.1211 7.8456 120.1630 54.6741 18.2782 179.3474 19 L 4.1926 8.5699 117.5153 57.5954 41.4076 179.5986 20 T 4.1995 7.4215 115.4781 65.9922 68.4006 175.4339 21 Y 4.1392 8.1237 115.4938 58.0185 38.2107 175.4766 22 I 5.3266 7.1648 121.7860 59.0433 38.6560 176.1761 23 Y 4.1139 10.3822 126.8239 60.1164 38.5958 177.3032 24 G 3.8168 7.9893 105.2587 44.8746 0.0000 172.7542 25 I 4.2874 7.3443 121.0050 59.3030 40.6335 174.8407 26 G 3.7196 8.4207 107.5379 46.5266 0.0000 177.9306 27 K 3.7984 7.5342 118.0142 57.2500 34.0633 176.5886 28 A 3.9418 7.5706 122.5971 56.2059 18.4144 179.9431 29 R 3.9179 8.0561 115.2746 58.7096 30.0314 179.2782 30 A 4.0598 7.8440 120.3180 55.3241 18.1217 179.7590 31 K 4.0931 8.5456 116.8565 58.9214 31.9233 179.2441 32 E 4.0755 7.9251 118.7702 59.2148 29.5643 178.1991 33 A 4.2755 8.4971 119.7964 55.5647 18.6606 179.3335 34 L 4.1147 8.0016 116.8765 57.6643 41.5494 179.1468 35 E 4.0287 7.8357 118.7320 59.3020 29.3820 178.5842 36 K 4.4475 7.9483 115.6647 56.8170 32.1922 177.6950 37 T 4.3257 7.3325 114.3876 62.1900 70.3655 175.2677 38 G 4.0179 7.9306 109.7074 45.3726 0.0000 174.4144 39 I 3.7110 7.3573 119.9639 61.2058 37.7545 175.0904 40 N 4.5600 8.6805 123.0660 52.3541 39.2960 173.3871 41 P 4.1641 0.0000 0.0000 65.8960 31.5353 178.3911 42 A 4.0297 8.1627 119.3374 55.0066 18.5552 178.0977 43 T 4.0465 8.1010 107.2328 61.3901 69.6800 174.3059 44 R 4.3139 8.4248 123.7734 55.8810 31.2423 177.4880 45 V 3.5693 8.6458 122.9984 66.1133 31.7593 178.3603 46 K 3.9021 8.1715 117.0405 60.1674 32.2526 177.8790 47 D 4.4742 7.7172 117.6968 55.1826 40.8247 176.9576 48 L 4.2783 7.3400 119.2483 55.3222 42.3829 176.9304 49 T 4.5420 8.9668 117.7864 61.7967 70.9312 175.6295 50 E 3.8310 8.8466 126.0438 59.5811 29.9078 179.0285 51 A 4.1346 7.9677 119.8588 55.2706 18.4820 179.1211 52 E 3.8813 8.0930 116.5557 59.7462 29.7466 179.7177 53 V 3.6399 8.5292 118.0075 65.2750 31.3301 178.1383 54 V 3.6448 7.8309 118.4304 65.9286 31.6099 177.7744 55 R 3.9225 7.9705 117.2287 59.5526 29.9668 178.2013 56 L 3.9762 8.2567 120.0731 58.4105 42.2018 178.8003 57 R 3.9723 8.0864 117.7976 59.6651 29.9508 178.1579 58 E 3.9597 9.0284 118.9017 60.4178 29.3311 178.0146 59 Y 4.0978 8.7945 118.6360 60.0519 38.0116 179.3166 60 V 3.8029 7.9271 117.2629 65.9717 32.5290 178.3822 61 E 4.0697 8.0756 117.4466 58.8564 29.3862 178.3251 62 N 4.6171 7.5390 114.5634 54.6359 39.5241 176.6671 63 T 3.6812 8.1866 113.9992 62.7577 67.4948 173.2995 64 W 5.1554 7.2723 117.6081 55.3129 33.3005 173.7154 65 K 4.4654 8.8222 120.0146 55.1591 32.2802 174.4627 66 L 4.8865 8.1672 126.1712 53.8874 46.3220 178.4473 67 E 3.8346 8.9183 117.3569 57.1084 29.9701 178.2116 68 G 3.9898 8.8053 111.8482 49.2078 0.0000 174.3639 69 E 3.9446 8.2785 121.7939 58.6495 29.6240 178.2544 70 L 3.9843 8.1268 120.3567 58.2638 42.2060 178.8183 71 R 3.9867 8.3058 117.1345 59.4821 29.8025 178.4521 72 A 3.9791 7.9561 118.9401 56.0144 18.5945 178.5022 73 E 3.7832 8.6812 117.6503 58.7563 29.3564 179.1524 74 V 3.4938 8.2242 117.2115 66.1344 32.0987 178.3121 75 A 3.9334 8.2486 120.1471 55.3103 18.1390 179.3723 76 A 3.9679 8.2072 119.3343 55.3000 18.2579 179.7123 77 N 4.2457 7.9363 114.3606 56.7257 38.5995 177.4577 78 I 3.6107 7.6995 119.8859 64.2081 37.3895 178.1925 79 K 4.0604 8.1803 120.4389 59.6762 32.1824 178.0228 80 R 3.5531 8.4628 115.0592 60.4736 29.5374 177.1167 81 L 4.2122 7.0722 125.1451 59.0323 40.9300 178.4535 82 M 4.1587 7.9174 119.5060 58.2536 32.4003 176.9988 83 D 4.8276 8.5265 116.4185 54.5213 41.2847 175.9042 84 I 4.6641 7.2519 112.2226 58.5565 40.2932 177.0265 85 G 3.9306 9.3383 111.5524 49.1182 0.0000 173.4925 86 C 3.5025 7.9966 118.7865 56.4146 31.9455 173.0768 87 Y 4.2297 8.8959 128.0645 61.2716 38.1572 178.2779 88 R 3.7750 8.2460 118.0372 59.3873 30.2746 178.6806 89 G 3.8158 8.1075 104.5856 48.0102 0.0000 175.2425 90 L 3.9445 7.7756 121.7170 57.5705 41.6317 179.7262 91 R 3.8162 7.7379 117.9200 59.8052 29.6728 178.8822 92 H 4.1600 8.1250 115.3121 58.7439 28.7811 177.6938 93 R 4.0713 7.7563 118.9343 59.4528 29.9963 179.0907 94 R 4.1011 8.2205 117.1903 57.2336 30.0333 178.0572 95 G 3.8726 8.1735 105.2563 45.4967 0.0000 172.8845 96 L 4.6130 7.3266 118.1828 51.5307 43.6344 174.5568 97 P 4.2411 0.0000 0.0000 63.7241 31.2899 176.0847 98 V 4.2536 8.2058 117.6515 62.7210 32.0548 175.7158 99 R 4.6866 7.8648 115.9476 56.2591 30.7706 175.1844 100 G 4.0526 8.2136 99.8324 46.7418 0.0000 173.6963 101 Q 4.5491 7.8767 116.0962 53.6347 30.7715 176.2909 102 R 4.1566 8.3254 116.7848 56.5774 29.5184 176.6181 103 T 4.4867 8.2249 108.3818 61.4343 70.0891 175.9323 104 R 4.2733 8.0304 122.4315 59.1099 31.6863 175.6988 105 T 4.6509 7.0077 105.8391 60.7194 68.5750 175.5424 106 N 4.1447 9.0530 123.4670 53.9697 37.9178 173.9855 107 A 4.4993 8.0351 124.9559 51.0808 20.5361 178.6799 108 R 3.8701 8.2544 120.9259 61.2845 29.9982 178.5769 109 T 4.0373 7.9760 110.7796 64.4654 67.1633 174.8309 110 R 4.3130 7.6452 118.5425 58.3718 31.1583 177.9899 111 K 4.1000 8.4350 116.8408 59.4415 32.4352 178.1647 112 G 3.8126 8.7656 105.9321 43.5705 0.0000 171.0696 113 P 4.2118 0.0000 0.0000 62.6527 31.8511 175.9951 114 R 4.0465 8.5107 122.6508 56.1202 30.0358 176.7936 115 K 4.3949 8.2220 126.4355 54.6873 31.6611 175.9317 116 T 3.9688 7.9741 123.2007 64.7804 69.2256 173.4090 117 V 4.4298 7.8264 121.5879 60.5999 35.0472 175.3651 118 A 4.2571 8.4096 125.4822 53.2858 19.0695 175.4817 119 G 3.8726 7.7350 103.3303 45.9943 0.0000 173.0678 120 K 4.3000 8.4646 121.4950 54.2518 31.0803 176.6417 121 K 3.9678 7.8187 125.9185 57.2145 32.4570 175.9019 122 K 3.7550 7.7412 129.7375 55.0097 32.0578 173.9711 123 A 5.1631 8.1251 135.0000 50.9244 20.5852 173.6277 124 P 4.3856 0.0000 0.0000 63.1067 30.6158 177.4293 125 R 4.1275 8.1705 116.5639 57.0205 29.8909 177.7569 126 K 4.1118 7.5500 123.5160 57.0317 31.9353 176.4979 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 A 8.26 4.22 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 3 R 8.48 4.65 0.00 1.91 1.98 0.00 3.25 0.00 0.00 3.90 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.68 0.00 4 I 8.57 4.21 1.93 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 1.39 0.81 0.99 0.00 0.00 5 A 7.51 4.68 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 6 G 8.72 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 7 V 8.44 3.44 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 0.72 0.00 0.00 0.95 0.00 0.00 8 E 9.45 4.33 0.00 2.23 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 0.00 2.55 2.50 0.00 9 I 7.76 4.62 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.19 0.92 0.00 0.00 10 P 0.00 4.41 0.00 2.08 2.17 0.00 3.95 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 11 R 8.10 4.16 0.00 1.74 1.68 0.00 3.30 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 12 N 8.86 4.06 0.00 2.78 2.78 0.00 0.00 6.77 6.68 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 13 K 7.58 4.69 0.00 1.76 1.65 0.00 1.59 0.00 0.00 1.41 0.00 0.00 3.17 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.56 7.81 14 R 8.19 4.49 0.00 1.87 2.03 0.00 3.41 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.56 0.00 15 V 8.23 3.68 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 1.08 0.00 0.00 0.98 0.00 0.00 16 D 8.12 4.60 0.00 2.90 2.81 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 17 V 7.65 4.26 2.29 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 1.23 0.00 0.00 0.97 0.00 0.00 18 A 7.85 4.12 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 19 L 8.57 4.19 0.00 1.73 1.81 1.03 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.42 4.20 4.53 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 1.11 0.00 0.00 21 Y 8.12 4.14 0.00 3.09 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 22 I 7.16 5.33 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.60 0.98 0.00 0.00 23 Y 10.38 4.11 0.00 3.06 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 24 G 7.99 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 0.00 0.00 0.00 25 I 7.34 4.29 2.08 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.20 0.71 0.00 0.00 26 G 8.42 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 27 K 7.53 3.80 0.00 1.83 2.09 0.00 1.72 0.00 0.00 1.83 0.00 0.00 3.02 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.38 7.81 28 A 7.57 3.94 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 29 R 8.06 3.92 0.00 1.33 0.72 0.00 2.52 0.00 0.00 2.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.17 0.00 30 A 7.84 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 31 K 8.55 4.09 0.00 1.81 1.91 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.62 7.81 32 E 7.93 4.08 0.00 2.46 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 2.59 2.50 0.00 33 A 8.50 4.28 1.86 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 0.00 0.00 34 L 8.00 4.11 0.00 1.76 1.75 0.97 1.04 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 35 E 7.84 4.03 0.00 2.32 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 2.32 2.39 0.00 36 K 7.95 4.45 0.00 1.22 1.41 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.42 7.81 37 T 7.33 4.33 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 1.17 0.00 0.00 38 G 7.93 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 39 I 7.36 3.71 1.88 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 1.29 0.86 0.99 0.00 0.00 40 N 8.68 4.56 0.00 2.75 2.71 0.00 0.00 7.12 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 41 P 0.00 4.16 0.00 2.22 2.14 0.00 3.70 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 42 A 8.16 4.03 1.30 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 0.00 0.00 43 T 8.10 4.05 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 1.25 0.00 0.00 44 R 8.42 4.31 0.00 2.26 1.88 0.00 3.21 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 45 V 8.65 3.57 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 1.00 0.00 0.00 0.90 0.00 0.00 46 K 8.17 3.90 0.00 1.89 1.92 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.46 7.81 47 D 7.72 4.47 0.00 2.84 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 48 L 7.34 4.28 0.00 1.84 1.62 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.97 4.54 4.42 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 1.27 0.00 0.00 50 E 8.85 3.83 0.00 1.93 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 2.31 2.49 0.00 51 A 7.97 4.13 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 52 E 8.09 3.88 0.00 2.23 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 2.37 0.00 53 V 8.53 3.64 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 1.01 0.00 0.00 0.99 0.00 0.00 54 V 7.83 3.64 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 1.05 0.00 0.00 55 R 7.97 3.92 0.00 2.01 1.95 0.00 3.27 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 56 L 8.26 3.98 0.00 1.94 1.69 0.97 0.92 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 57 R 8.09 3.97 0.00 2.03 2.15 0.00 3.18 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.93 0.00 58 E 9.03 3.96 0.00 2.22 2.01 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 2.58 2.48 0.00 59 Y 8.79 4.10 0.00 2.97 2.92 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 60 V 7.93 3.80 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 1.19 0.00 0.00 1.23 0.00 0.00 61 E 8.08 4.07 0.00 2.09 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 2.41 2.60 0.00 62 N 7.54 4.62 0.00 2.71 2.78 0.00 0.00 6.97 8.75 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 63 T 8.19 3.68 2.90 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 -0.91 0.00 0.00 64 W 7.27 5.16 0.00 3.42 2.88 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 K 8.82 4.47 0.00 1.74 1.75 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.35 1.71 7.81 66 L 8.17 4.89 0.00 1.71 1.63 1.13 1.02 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 67 E 8.92 3.83 0.00 2.14 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 0.00 2.43 2.52 0.00 68 G 8.81 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.28 3.94 0.00 2.07 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 2.41 2.39 0.00 70 L 8.13 3.98 0.00 2.03 2.04 0.66 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.31 3.99 0.00 1.97 1.87 0.00 2.97 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.55 0.00 72 A 7.96 3.98 1.40 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 0.00 0.00 73 E 8.68 3.78 0.00 2.14 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 2.33 2.34 0.00 74 V 8.22 3.49 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 1.06 0.00 0.00 0.98 0.00 0.00 75 A 8.25 3.93 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 76 A 8.21 3.97 1.40 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 0.00 0.00 77 N 7.94 4.25 0.00 2.94 2.87 0.00 0.00 7.14 7.32 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 78 I 7.70 3.61 1.90 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 1.30 0.70 0.54 0.00 0.00 79 K 8.18 4.06 0.00 1.82 1.78 0.00 1.66 0.00 0.00 1.60 0.00 0.00 3.25 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.42 7.81 80 R 8.46 3.55 0.00 1.98 1.98 0.00 3.18 0.00 0.00 3.22 8.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 81 L 7.07 4.21 0.00 1.81 1.84 0.95 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 82 M 7.92 4.16 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.50 0.00 83 D 8.53 4.83 0.00 2.77 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 84 I 7.25 4.66 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.86 0.96 0.00 0.00 85 G 9.34 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 86 C 8.00 3.50 0.00 3.06 3.23 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 0.00 87 Y 8.90 4.23 0.00 3.05 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 88 R 8.25 3.78 0.00 1.91 2.00 0.00 3.26 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.83 0.00 89 G 8.11 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 0.00 0.00 0.00 90 L 7.78 3.94 0.00 1.66 1.67 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.74 3.82 0.00 1.63 2.05 0.00 2.87 0.00 0.00 2.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.16 0.00 92 H 8.13 4.16 0.00 3.27 3.31 0.00 5.66 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 93 R 7.76 4.07 0.00 1.95 1.98 0.00 3.15 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 94 R 8.22 4.10 0.00 1.81 1.95 0.00 3.32 0.00 0.00 3.21 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.74 0.00 95 G 8.17 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 96 L 7.33 4.61 0.00 1.57 1.55 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 97 P 0.00 4.24 0.00 2.36 2.07 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 1.98 1.98 0.00 98 V 8.21 4.25 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 0.77 0.00 0.00 0.59 0.00 0.00 99 R 7.86 4.69 0.00 1.93 1.86 0.00 3.37 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 100 G 8.21 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 0.00 101 Q 7.88 4.55 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.91 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 102 R 8.33 4.16 0.00 1.92 1.94 0.00 2.98 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 103 T 8.22 4.49 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 1.27 0.00 0.00 104 R 8.03 4.27 0.00 1.80 2.01 0.00 3.19 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 105 T 7.01 4.65 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 0.00 106 N 9.05 4.14 0.00 2.73 2.91 0.00 0.00 6.54 7.35 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 0.00 107 A 8.04 4.50 1.23 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 0.00 0.00 0.00 108 R 8.25 3.87 0.00 1.83 1.98 0.00 3.31 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 109 T 7.98 4.04 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 1.20 0.00 0.00 110 R 7.65 4.31 0.00 1.80 2.00 0.00 3.33 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 1.50 1.86 0.00 111 K 8.43 4.10 0.00 1.76 1.86 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.63 7.81 112 G 8.77 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 0.00 113 P 0.00 4.21 0.00 2.05 2.01 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 114 R 8.51 4.05 0.00 1.77 1.85 0.00 3.21 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 115 K 8.22 4.39 0.00 1.88 1.81 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.43 7.81 116 T 7.97 3.97 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 0.00 117 V 7.83 4.43 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 0.82 0.00 0.00 0.93 0.00 0.00 118 A 8.41 4.26 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 0.00 119 G 7.74 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 0.00 120 K 8.46 4.30 0.00 1.70 1.74 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.42 7.81 121 K 7.82 3.97 0.00 1.78 1.68 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.43 7.81 122 K 7.74 3.75 0.00 1.68 1.80 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.54 7.81 123 A 8.13 5.16 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 0.00 124 P 0.00 4.39 0.00 2.18 2.06 0.00 3.60 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 2.12 2.10 0.00 125 R 8.17 4.13 0.00 1.89 2.05 0.00 3.09 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 1.59 1.71 0.00 126 K 7.55 4.11 0.00 1.77 1.77 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.39 7.81