NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4251 8.3349 115.4122 58.3411 64.3583 173.1341 2 M 4.3417 8.3767 122.7947 54.1725 33.3377 174.4486 3 Q 4.3959 8.7632 118.5086 56.1415 32.5658 175.1930 4 D 4.8379 7.8469 116.6146 51.4220 43.5498 173.2580 5 P 4.3564 0.0000 0.0000 66.0631 31.9009 178.2895 6 I 3.6139 8.1288 120.4718 63.7137 36.9280 177.6847 7 A 3.9387 7.9707 120.8332 55.5701 17.9908 179.1562 8 D 4.3794 7.6419 115.4379 58.8001 41.0920 178.5695 9 M 3.9908 8.1974 118.0433 57.7801 32.0460 177.5420 10 L 3.9255 8.0562 118.0573 58.4748 42.1519 179.9413 11 T 3.8393 8.3900 115.5319 66.7756 67.9708 176.5242 12 R 4.1637 7.7756 118.6719 57.7771 30.2478 179.1048 13 I 3.7294 7.5863 120.3346 64.3591 37.2121 178.2779 14 R 3.9196 7.7479 116.6065 59.3097 29.2763 178.2595 15 N 4.3810 8.0381 117.5026 55.7476 38.5079 176.9384 16 G 3.8600 7.6165 106.7651 45.4537 0.0000 175.5537 17 Q 3.8533 7.9079 119.4565 59.1882 28.8905 179.0609 18 A 4.1463 7.6280 119.3872 54.6549 18.4308 178.7964 19 A 4.2315 7.6248 118.0575 51.9494 19.7725 176.5577 20 N 4.5953 8.0819 112.5370 54.7621 36.4845 175.0051 21 K 4.4825 8.0308 123.7290 56.9263 32.7391 178.6303 22 A 4.9535 7.9756 122.4315 53.1779 23.0103 175.9455 23 A 4.8058 7.3326 115.4819 51.5599 21.2390 176.3134 24 V 4.7012 7.9419 120.8968 59.9813 35.3061 174.4037 25 T 4.8784 7.9544 110.2240 60.2369 71.7486 172.8874 26 M 4.3450 7.8895 117.8586 54.0236 35.0139 172.3336 27 P 4.8812 0.0000 0.0000 62.3489 31.8739 176.5374 28 S 4.4227 8.6505 119.4145 58.5956 63.8250 172.5455 29 S 4.5345 8.4020 114.7578 55.7065 64.6942 174.9235 30 K 3.7920 8.8685 125.6076 59.8596 31.7233 178.3128 31 L 3.9496 7.9016 119.5389 58.3186 42.1105 178.9554 32 K 3.9453 8.0080 117.6736 59.5510 31.7628 178.8211 33 V 3.2283 7.6831 118.4044 65.5047 31.2457 177.6434 34 A 4.0685 7.5690 120.4464 54.9614 18.4783 179.5293 35 I 3.8534 7.4029 117.7262 64.3914 37.3805 178.1540 36 A 4.0438 7.6771 121.1652 55.2155 18.0515 179.4473 37 N 4.6029 7.8457 115.4059 56.4187 38.5859 177.6342 38 V 3.7614 7.9296 119.6150 65.6244 31.6177 177.8406 39 L 4.2650 8.0791 118.3559 57.9029 41.5219 179.4600 40 K 4.0178 7.9132 119.3855 59.6079 32.0408 178.3742 41 E 3.9440 7.8763 117.2262 59.9340 29.5968 179.3111 42 E 4.2631 8.1902 117.1565 56.2890 29.6068 173.5315 43 G 3.5779 8.1168 114.5347 45.1708 0.0000 172.8839 44 F 4.8123 8.2327 121.6879 57.1038 45.5336 174.8651 45 I 4.4218 7.4158 112.2465 58.8247 40.0957 174.4034 46 E 3.9374 8.8755 124.5144 58.9176 29.1211 178.2460 47 D 4.7563 7.5029 117.4133 54.5898 45.5265 173.2181 48 F 5.3299 8.0250 111.6823 56.7178 40.5473 173.5720 49 K 4.7318 9.1821 121.3625 55.0640 36.0508 174.8395 50 V 4.7030 8.6583 126.8949 61.4103 33.2699 174.7306 51 E 4.4140 9.0333 131.2941 55.1390 29.5537 176.1362 52 G 4.0562 8.5632 115.1999 45.6184 0.0000 172.9196 53 D 4.4833 8.2249 119.4037 57.3880 41.4061 177.0369 54 T 3.9362 7.7719 114.1934 63.8839 67.8266 175.1651 55 K 4.5533 8.2872 121.7002 53.9355 35.9278 174.3955 56 P 4.5368 0.0000 0.0000 63.5315 32.3547 175.1533 57 E 4.9438 9.2051 122.8610 54.6481 34.5126 174.4146 58 L 4.3306 8.4990 125.8551 54.0305 42.9361 176.0472 59 E 4.6890 9.1158 130.2878 54.7683 29.3848 173.2225 60 L 5.0852 8.3059 124.6001 54.0998 43.2860 175.7500 61 T 4.4796 8.8262 120.3929 62.5508 70.1026 173.9725 62 L 4.5983 8.6169 127.6281 54.1614 42.5086 176.5470 63 K 4.6334 8.5273 123.2606 56.1077 34.0949 175.6336 64 Y 4.7140 8.6991 120.1684 56.3953 41.3634 175.9837 65 F 4.6423 8.6436 122.6669 59.7029 40.0218 176.4466 66 Q 4.7066 7.3329 113.0416 55.5789 33.0358 175.5560 67 G 5.0220 8.2875 118.8634 47.0337 0.0000 173.2413 68 K 4.0282 7.3929 121.0605 56.0756 32.7669 176.1224 69 A 4.7016 8.4226 127.6974 51.9153 19.7936 177.5449 70 V 4.3019 8.3631 109.8862 61.2514 32.0719 176.4070 71 V 4.3120 7.4183 113.9633 59.9867 32.8137 175.7484 72 E 4.7264 8.4147 118.5084 57.3306 32.6593 176.1374 73 S 4.3564 7.6775 111.6604 58.5183 67.8012 173.7860 74 I 3.4785 7.4508 121.6301 62.0015 37.5430 174.4937 75 Q 4.4120 7.8213 128.1725 55.5713 33.4107 172.1990 76 R 4.6761 8.5104 123.7818 54.6846 30.6802 176.2130 77 V 3.7071 8.7567 127.0723 65.2570 31.8891 175.9497 78 S 4.6294 7.1764 114.5667 57.2710 64.2691 172.5287 79 R 4.6768 7.8180 118.4402 54.5056 34.1498 174.9924 80 P 4.2677 0.0000 0.0000 65.2982 31.3784 177.8963 81 G 3.9671 7.7024 104.9444 44.6812 0.0000 173.5586 82 L 4.5176 7.0810 115.9815 54.0174 43.5603 174.0904 83 R 4.0081 8.0952 119.4271 56.1189 31.0901 175.1266 84 I 4.5267 7.1377 116.1477 59.8317 40.6244 173.5074 85 Y 4.7891 7.8672 117.3949 56.7190 42.3449 174.6528 86 K 4.6211 8.8310 121.3461 54.4966 36.2543 176.5345 87 R 4.3050 8.8594 123.8817 55.9945 30.9323 177.3675 88 K 4.0164 8.7378 120.2449 58.5611 31.9892 176.8745 89 D 4.9737 8.0388 114.1064 53.9400 41.8870 175.5050 90 E 4.6622 7.9204 117.2557 55.7568 30.6516 175.2010 91 L 4.3275 7.8013 121.2826 53.3868 42.9711 174.7117 92 P 4.4505 0.0000 0.0000 62.2204 32.3008 175.5219 93 K 4.2370 8.2120 121.0517 55.6044 33.1584 176.8702 94 V 3.7210 8.6268 118.4983 60.6698 32.9916 176.0986 95 M 3.1093 7.6131 117.8131 55.7065 30.9335 176.8201 96 A 4.1105 8.6572 124.7800 52.2017 17.6117 177.3127 97 G 3.9590 8.4362 105.7545 45.9451 0.0000 174.4523 98 L 4.6360 7.6932 117.7490 54.0961 42.5722 176.7666 99 G 4.0328 7.6755 107.3497 45.1126 0.0000 173.4375 100 I 4.8118 8.2802 119.3544 59.8914 42.0520 173.9944 101 A 4.8249 9.1288 128.5804 49.5944 22.2174 175.2783 102 V 3.9950 8.0114 123.3361 63.2988 32.8861 175.0812 103 V 4.7876 8.2747 127.4756 61.1977 34.4105 174.4258 104 S 4.8603 9.1851 123.5431 58.5168 63.9415 173.0762 105 T 4.7571 8.2996 114.2902 60.7722 71.2630 173.4404 106 S 4.0667 8.9643 116.3175 60.8800 62.8900 174.3049 107 K 4.1780 7.6046 120.1730 55.4242 32.2593 176.6859 108 G 3.8580 8.5735 116.7134 44.6003 0.0000 170.3671 109 V 4.7633 8.1114 117.5806 60.6236 33.3723 174.4132 110 M 4.8570 9.1267 129.8255 54.6290 36.0241 175.4672 111 T 4.8644 8.8014 120.1342 62.3966 70.4996 173.9062 112 D 4.3474 8.9714 126.8599 56.6531 39.2519 179.2010 113 R 3.9686 7.8433 120.2512 58.7199 30.0209 177.6008 114 A 4.1000 8.1360 119.5780 55.1767 18.1324 179.1401 115 A 3.9013 8.1897 117.6912 55.2322 18.4188 179.1666 116 R 3.9219 7.9277 116.1101 59.3406 29.9671 176.7520 117 Q 4.1059 8.4789 117.2094 57.7857 29.5336 178.2922 118 A 4.2225 7.6601 120.0150 53.0031 17.7587 178.1490 119 G 3.9532 8.4970 104.7352 46.5447 0.0000 173.7420 120 L 4.7593 7.6992 117.9803 53.1834 45.8360 175.2338 121 G 4.1680 8.0992 108.1240 44.2606 0.0000 171.5405 122 G 3.9946 7.7691 103.2520 45.3544 0.0000 170.8366 123 E 4.0830 8.4529 120.9225 56.4258 29.7043 176.7056 124 I 4.3329 8.1268 127.3661 59.9478 37.6077 175.2236 125 I 3.8248 8.5913 130.8333 63.9921 37.0739 175.9368 126 C 4.9091 7.5839 112.4596 58.7336 31.6976 171.4748 127 Y 4.9525 7.6803 114.2932 56.4394 40.1566 175.4083 128 V 3.8684 8.0659 112.7121 61.0278 34.4457 175.7562 129 A 4.0993 7.6799 127.8409 52.2749 19.2099 175.5356 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 4.43 0.00 3.99 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 2 M 8.38 4.34 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 3 Q 8.76 4.40 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.72 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 4 D 7.85 4.84 0.00 2.57 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 5 P 0.00 4.36 0.00 2.24 2.27 0.00 3.77 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 6 I 8.13 3.61 1.99 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 1.55 1.36 0.88 0.00 0.00 7 A 7.97 3.94 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 8 D 7.64 4.38 0.00 2.79 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 9 M 8.20 3.99 0.00 2.20 1.90 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.60 0.00 10 L 8.06 3.93 0.00 1.64 1.67 0.88 1.11 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 11 T 8.39 3.84 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 1.20 0.00 0.00 12 R 7.78 4.16 0.00 1.99 1.96 0.00 3.23 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 13 I 7.59 3.73 2.00 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 1.67 1.03 0.86 0.00 0.00 14 R 7.75 3.92 0.00 1.99 2.13 0.00 2.75 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 1.85 1.64 0.00 15 N 8.04 4.38 0.00 2.85 2.93 0.00 0.00 6.81 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 16 G 7.62 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 0.00 0.00 0.00 17 Q 7.91 3.85 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 18 A 7.63 4.15 1.35 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 19 A 7.62 4.23 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 20 N 8.08 4.60 0.00 2.94 2.93 0.00 0.00 7.00 7.77 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 21 K 8.03 4.48 0.00 1.84 1.72 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.49 7.81 22 A 7.98 4.95 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 23 A 7.33 4.81 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 24 V 7.94 4.70 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 0.82 0.00 0.00 0.99 0.00 0.00 25 T 7.95 4.88 4.39 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 1.23 0.00 0.00 26 M 7.89 4.35 0.00 1.87 2.13 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 27 P 0.00 4.88 0.00 1.95 2.04 0.00 3.72 0.00 0.00 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.92 0.00 28 S 8.65 4.42 0.00 3.83 3.75 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 0.00 0.00 0.00 0.00 29 S 8.40 4.53 0.00 3.83 3.60 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 0.00 0.00 0.00 0.00 30 K 8.87 3.79 0.00 1.84 1.81 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.53 7.81 31 L 7.90 3.95 0.00 1.78 1.63 0.92 0.39 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 32 K 8.01 3.95 0.00 1.90 1.78 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.46 7.81 33 V 7.68 3.23 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 0.75 0.00 0.00 0.92 0.00 0.00 34 A 7.57 4.07 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 35 I 7.40 3.85 1.98 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 1.43 0.71 0.88 0.00 0.00 36 A 7.68 4.04 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 37 N 7.85 4.60 0.00 3.00 2.99 0.00 0.00 6.49 7.73 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 38 V 7.93 3.76 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 1.13 0.00 0.00 1.09 0.00 0.00 39 L 8.08 4.27 0.00 1.97 1.90 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 40 K 7.91 4.02 0.00 2.10 2.09 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.61 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.45 1.68 7.81 41 E 7.88 3.94 0.00 2.04 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 2.39 2.43 0.00 42 E 8.19 4.26 0.00 2.25 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 0.00 2.61 2.65 0.00 43 G 8.12 3.58 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 0.00 0.00 0.00 44 F 8.23 4.81 0.00 3.19 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 45 I 7.42 4.42 2.08 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 1.33 0.75 0.96 0.00 0.00 46 E 8.88 3.94 0.00 2.15 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 2.35 2.35 0.00 47 D 7.50 4.76 0.00 2.56 2.42 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 48 F 8.03 5.33 0.00 2.94 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 49 K 9.18 4.73 0.00 1.89 1.68 0.00 1.53 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.47 7.81 50 V 8.66 4.70 2.16 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 0.89 0.00 0.00 1.00 0.00 0.00 51 E 9.03 4.41 0.00 2.10 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 2.25 2.41 0.00 52 G 8.56 4.06 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 0.00 53 D 8.22 4.48 0.00 2.84 2.75 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 0.00 0.00 0.00 0.00 54 T 7.77 3.94 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 1.21 0.00 0.00 55 K 8.29 4.55 0.00 1.69 1.68 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.36 7.81 56 P 0.00 4.54 0.00 2.06 2.00 0.00 3.55 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 57 E 9.21 4.94 0.00 1.85 1.77 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 2.22 2.39 0.00 58 L 8.50 4.33 0.00 1.59 1.56 0.77 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 59 E 9.12 4.69 0.00 2.13 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 2.28 2.27 0.00 60 L 8.31 5.09 0.00 1.93 1.82 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.83 4.48 4.44 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 1.30 0.00 0.00 62 L 8.62 4.60 0.00 1.64 1.33 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.53 4.63 0.00 1.74 1.92 0.00 1.57 0.00 0.00 1.59 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.36 7.81 64 Y 8.70 4.71 0.00 3.08 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 65 F 8.64 4.64 0.00 2.77 3.24 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 0.00 66 Q 7.33 4.71 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.04 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 67 G 8.29 5.02 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 68 K 7.39 4.03 0.00 1.81 1.82 0.00 1.75 0.00 0.00 2.09 0.00 0.00 3.22 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.65 1.51 7.81 69 A 8.42 4.70 1.35 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 70 V 8.36 4.30 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 0.57 0.00 0.00 0.95 0.00 0.00 71 V 7.42 4.31 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 0.68 0.00 0.00 0.90 0.00 0.00 72 E 8.41 4.73 0.00 2.02 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 2.15 2.28 0.00 73 S 7.68 4.36 0.00 3.77 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 74 I 7.45 3.48 1.70 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.57 0.80 0.00 0.00 75 Q 7.82 4.41 0.00 1.95 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.55 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 76 R 8.51 4.68 0.00 1.83 1.80 0.00 3.27 0.00 0.00 3.13 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 77 V 8.76 3.71 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 0.77 0.00 0.00 0.89 0.00 0.00 78 S 7.18 4.63 0.00 3.95 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 79 R 7.82 4.68 0.00 1.96 1.75 0.00 3.11 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 80 P 0.00 4.27 0.00 2.02 2.10 0.00 3.64 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 81 G 7.70 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 0.00 0.00 0.00 0.00 82 L 7.08 4.52 0.00 1.64 1.47 0.90 0.80 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 83 R 8.10 4.01 0.00 1.74 1.79 0.00 3.13 0.00 0.00 3.38 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.40 0.00 84 I 7.14 4.53 1.74 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.51 0.83 0.00 0.00 85 Y 7.87 4.79 0.00 2.86 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 0.00 86 K 8.83 4.62 0.00 1.64 1.80 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.78 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.50 7.81 87 R 8.86 4.30 0.00 1.77 1.90 0.00 3.15 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 88 K 8.74 4.02 0.00 1.71 1.86 0.00 1.61 0.00 0.00 2.36 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.61 7.81 89 D 8.04 4.97 0.00 2.65 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.92 4.66 0.00 1.85 1.88 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 2.22 2.20 0.00 91 L 7.80 4.33 0.00 1.75 1.55 0.90 0.99 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 92 P 0.00 4.45 0.00 2.14 1.97 0.00 3.76 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 1.88 1.87 0.00 93 K 8.21 4.24 0.00 1.69 1.70 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.28 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.37 1.49 7.81 94 V 8.63 3.72 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.94 0.00 0.00 95 M 7.61 3.11 0.00 2.33 2.23 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.73 0.00 96 A 8.66 4.11 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 97 G 8.44 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.69 4.64 0.00 1.65 1.71 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 99 G 7.68 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 0.00 100 I 8.28 4.81 1.70 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 1.29 1.71 0.90 0.00 0.00 101 A 9.13 4.82 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 0.00 102 V 8.01 4.00 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 0.89 0.00 0.00 0.91 0.00 0.00 103 V 8.27 4.79 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 0.93 0.00 0.00 0.98 0.00 0.00 104 S 9.19 4.86 0.00 3.95 3.75 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 0.00 0.00 0.00 0.00 105 T 8.30 4.76 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 1.24 0.00 0.00 106 S 8.96 4.07 0.00 3.87 3.96 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 0.00 0.00 0.00 0.00 107 K 7.60 4.18 0.00 1.75 1.73 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.36 7.81 108 G 8.57 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 0.00 0.00 0.00 109 V 8.11 4.76 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 0.93 0.00 0.00 110 M 9.13 4.86 0.00 1.92 1.64 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.47 0.00 111 T 8.80 4.86 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 1.27 0.00 0.00 112 D 8.97 4.35 0.00 2.80 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 0.00 113 R 7.84 3.97 0.00 1.92 1.94 0.00 3.21 0.00 0.00 3.37 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 114 A 8.14 4.10 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 0.00 115 A 8.19 3.90 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 116 R 7.93 3.92 0.00 1.98 1.87 0.00 3.27 0.00 0.00 3.27 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 117 Q 8.48 4.11 0.00 2.24 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.88 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 118 A 7.66 4.22 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 0.00 119 G 8.50 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 0.00 120 L 7.70 4.76 0.00 1.80 1.51 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.10 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.77 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 0.00 123 E 8.45 4.08 0.00 2.02 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 2.20 0.00 124 I 8.13 4.33 1.83 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 1.37 0.92 0.85 0.00 0.00 125 I 8.59 3.82 1.86 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 1.52 0.68 0.89 0.00 0.00 126 C 7.58 4.91 0.00 3.15 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 0.00 127 Y 7.68 4.95 0.00 3.39 2.87 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 0.00 128 V 8.07 3.87 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 0.53 0.00 0.00 -0.26 0.00 0.00 129 A 7.68 4.10 1.05 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