NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4652 8.3049 120.3296 54.8704 33.4884 174.4138 2 E 3.9198 8.3348 119.0237 55.2619 29.4800 175.5185 3 A 3.9801 9.4091 126.2061 52.8151 19.6244 178.5539 4 L 4.0208 8.5468 123.0284 55.8834 41.9451 177.7289 5 G 3.7977 8.2507 106.3405 45.9064 0.0000 173.0358 6 A 4.5390 7.5302 116.2782 50.9462 21.9896 176.3950 7 D 4.7573 8.6000 121.5707 53.2880 42.5839 175.8289 8 V 4.5577 8.4195 122.6442 61.4783 34.3430 175.3477 9 T 4.4547 7.7880 121.5896 61.3562 68.8088 173.3713 10 Q 3.7958 8.5159 123.7558 56.4015 29.0342 177.5064 11 G 4.1112 8.8706 109.4777 45.9041 0.0000 172.6581 12 L 5.1000 8.1623 120.1235 52.8270 46.0206 175.2377 13 E 5.1484 8.8294 119.3128 53.9077 34.4352 175.3051 14 K 4.0428 8.2874 122.8013 58.2211 32.4139 177.1842 15 G 4.0242 8.9220 115.3907 45.0102 0.0000 173.8346 16 S 4.3345 8.1371 116.8679 58.4849 64.1604 173.1842 17 L 5.1318 8.4385 124.0476 53.4415 42.8390 175.6860 18 I 4.7189 8.7183 117.0557 59.1807 41.8916 174.2694 19 T 4.4527 8.4077 118.5508 63.1201 70.0085 174.4872 20 C 4.7115 8.7335 126.7389 57.6806 30.8314 173.6938 21 A 4.5212 8.4395 133.0932 49.2622 16.1272 174.5529 22 D 4.8973 7.6137 120.2847 52.7006 42.7395 176.6802 23 N 5.0926 8.5356 114.4466 53.0344 37.0813 176.7001 24 T 3.9084 8.6864 113.0408 64.3996 69.4130 175.1295 25 G 3.9765 8.3407 108.3391 44.9980 0.0000 172.3338 26 A 4.8646 7.4978 122.9847 50.7310 20.5450 176.6832 27 R 4.3404 8.8817 122.6130 57.8241 31.9308 175.8372 28 E 4.9931 8.0231 119.4753 54.3823 31.9178 174.0150 29 L 5.1412 8.8614 126.8443 52.8383 45.2492 175.2601 30 K 4.8912 8.9430 123.8632 54.3133 34.5070 175.5253 31 V 3.9932 8.6350 128.6023 63.5155 31.9535 176.3366 32 I 4.4268 8.3667 127.0361 62.5268 40.0596 175.5887 33 S 4.6209 7.6579 114.8744 57.6774 67.8219 174.1924 34 V 4.6130 8.1428 120.9955 61.1241 33.6224 174.0115 35 H 4.0364 9.1095 128.3437 57.7754 30.2059 174.3042 36 G 4.0396 8.4022 110.8793 46.2915 0.0000 171.7326 37 Y 4.6713 7.8138 120.1367 55.5303 40.1652 174.7795 38 S 4.4693 7.3638 120.0626 56.4222 66.9490 173.3381 39 G 4.0590 7.6379 112.5103 44.6784 0.0000 174.7358 40 T 4.3469 8.4512 116.8319 60.3378 69.8168 171.7890 41 K 3.9874 8.4409 126.1250 57.6916 32.6100 177.0204 42 N 4.4040 8.9346 120.9664 53.9906 37.5410 174.4178 43 R 4.0804 7.9747 119.2947 55.8713 30.4862 175.6189 44 H 4.4570 8.7636 123.5950 54.7155 29.5314 173.2945 45 P 4.6514 0.0000 0.0000 63.3994 31.8096 175.2322 46 K 4.9830 7.9165 123.2225 55.1445 34.9681 175.4381 47 A 4.7182 9.1540 123.1121 50.8183 23.2472 176.0014 48 G 4.1867 9.2086 107.6170 44.2870 0.0000 171.7811 49 L 4.1665 8.2633 119.4785 56.6721 41.8274 178.1935 50 G 4.0650 8.8409 111.1776 45.4675 0.0000 172.9521 51 D 4.8981 7.8976 119.9303 53.1019 43.2139 175.3569 52 K 4.7779 8.6439 123.3039 55.0517 33.8942 175.1484 53 I 4.9800 8.2064 120.2263 59.4177 41.2434 174.5840 54 T 4.8890 8.7630 119.9625 62.8077 70.4209 174.2049 55 V 5.0789 9.4965 124.8687 61.5491 36.1280 173.5640 56 S 5.1950 8.7717 117.3406 56.3306 66.6706 173.2506 57 V 4.2905 8.2095 122.0497 63.0871 31.7690 176.5354 58 T 4.1244 9.1233 125.9334 65.6124 69.2253 175.5062 59 K 4.5663 8.7108 119.0062 54.8051 36.4055 177.0124 60 G 4.0882 8.7106 108.2558 44.2687 0.0000 173.0454 61 T 3.9467 8.4576 111.3297 61.1542 68.9359 173.1394 62 P 4.1944 0.0000 0.0000 66.3250 31.0958 178.7151 63 E 3.7577 8.0851 115.4535 59.2722 29.5924 178.5061 64 M 4.2144 8.1636 118.5984 56.3955 32.4372 177.0185 65 R 3.9407 6.7990 117.1895 57.5916 30.6463 177.4061 66 R 3.9770 8.4981 118.8087 56.6023 29.3031 176.6662 67 Q 4.2035 7.6001 118.3039 55.6112 30.2332 175.5667 68 V 4.2834 8.3475 123.4385 61.9525 32.0622 174.3131 69 L 4.8716 8.8393 128.7502 52.8613 45.6249 174.9089 70 E 4.8485 8.3949 118.9923 55.3029 33.0485 174.4273 71 A 4.8754 8.2611 124.2478 51.3727 23.6098 174.9215 72 V 4.5616 8.1238 116.7313 61.1516 35.3711 175.0052 73 V 4.2029 8.4848 127.9256 63.0067 31.9429 176.1927 74 V 4.1750 8.8847 128.5677 63.6516 33.3924 175.3676 75 R 4.1539 7.4519 117.4810 55.1341 34.5780 173.8030 76 Q 4.9729 8.0068 118.4746 55.1521 31.5542 175.8235 77 R 4.3261 9.0682 120.0848 58.5481 30.4676 177.7923 78 K 4.2394 7.8268 118.0078 55.6147 32.8344 175.2996 79 P 4.9956 0.0000 0.0000 62.7574 32.9290 175.1181 80 I 4.9143 8.5501 114.1352 59.3698 41.5862 173.8014 81 R 4.9645 8.8567 125.0669 55.1633 31.7947 175.4046 82 R 4.7870 8.7422 125.3215 54.4530 31.9930 176.1490 83 P 4.1547 0.0000 0.0000 65.9733 31.5444 176.8436 84 D 4.6334 8.0634 115.0603 53.2741 39.2254 177.6040 85 G 4.0437 8.5627 109.8484 46.5757 0.0000 174.9467 86 T 4.1310 7.6568 116.1709 63.8120 69.6124 173.7321 87 R 5.1182 8.4065 122.5238 54.7836 32.7529 175.8873 88 V 4.5542 8.8393 121.7085 61.0595 34.8943 174.4109 89 K 5.0700 8.3634 124.9688 55.5260 35.7253 175.0138 90 F 4.7266 8.8813 119.8895 55.6028 41.8907 176.3413 91 E 4.0666 9.0528 119.9487 58.7818 29.6810 174.9366 92 D 4.7485 7.7516 115.6674 52.7982 42.6713 173.6231 93 N 5.1751 8.6941 114.7342 51.7551 41.2065 174.1822 94 A 5.1974 9.1272 123.6410 50.7787 23.3978 174.7670 95 A 4.9866 9.2294 120.7965 50.3872 23.7288 175.3369 96 V 4.5469 8.6330 119.8204 60.6562 34.2338 175.1693 97 I 4.2344 8.2554 129.5724 62.1255 37.9359 175.6210 98 V 4.7257 8.5370 125.8603 60.1069 34.9556 174.5448 99 D 5.0717 7.7814 119.3241 51.5879 41.8102 176.2969 100 E 3.9332 8.8356 117.1280 60.0072 29.3860 177.8805 101 N 4.5509 9.1778 114.3581 53.3773 38.9878 175.2405 102 E 3.7629 8.2562 116.8709 57.0956 27.1747 173.5273 103 D 5.0843 8.2789 118.0978 50.8431 41.6747 174.3338 104 P 4.3990 0.0000 0.0000 63.3260 31.3969 177.3364 105 R 3.9437 8.5720 122.4564 58.5600 30.2830 176.4144 106 G 4.0886 7.0851 103.1483 44.5830 0.0000 172.4893 107 T 4.4329 8.5876 113.5727 63.9439 70.5912 174.8607 108 E 4.8092 9.4798 120.4742 54.3949 33.9271 174.7899 109 L 5.0353 8.5038 122.5721 53.2695 43.4775 175.9440 110 K 4.2913 8.1917 122.8401 56.2208 33.2458 178.0278 111 G 3.9565 8.9392 110.8584 44.0626 0.0000 170.4648 112 P 4.8942 0.0000 0.0000 62.9734 32.5951 175.5595 113 I 4.7361 8.3780 118.4772 59.5110 42.1443 174.7172 114 A 4.8700 8.2192 126.9988 51.7820 19.1568 178.7873 115 R 3.8899 9.0688 119.6489 59.8181 28.9147 178.9953 116 E 4.1443 8.3702 118.6821 59.1283 29.3144 179.4271 117 V 3.3899 7.9432 117.8652 65.3470 31.3927 177.9029 118 A 4.0017 8.3252 121.3405 55.2658 18.1325 179.3499 119 Q 4.1335 7.1839 112.2715 57.5074 28.8864 177.4993 120 R 4.0948 7.9167 117.6654 56.9309 32.8833 175.8966 121 F 4.9408 7.7441 117.8696 54.2729 39.0556 175.5202 122 G 3.8516 8.4290 111.3409 48.1796 0.0000 172.2039 123 S 4.1868 8.1055 117.9223 60.1277 62.6792 176.7185 124 V 3.5596 7.8504 121.0512 65.6595 31.3631 177.6566 125 A 4.0700 8.2510 120.9992 55.1741 18.2270 179.8628 126 S 4.3999 8.8198 109.4651 59.0503 62.5441 174.9242 127 A 4.6766 7.5700 121.9583 51.7861 20.1324 177.1667 128 A 4.2574 8.1576 119.6197 52.3342 19.2215 178.0505 129 T 4.2268 8.5037 117.7262 65.8234 69.5511 175.1824 130 M 4.8114 7.8381 119.9109 53.4385 35.5314 174.5014 131 I 4.6474 8.4376 123.5192 59.5358 39.7429 175.6483 132 V 3.9539 8.5012 126.5267 62.9008 30.9957 175.6786 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 M 8.30 4.47 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.61 0.00 2 E 8.33 3.92 0.00 1.95 1.80 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 2.28 2.33 0.00 3 A 9.41 3.98 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 4 L 8.55 4.02 0.00 1.64 1.74 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 5 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 6 A 7.53 4.54 1.19 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 0.00 0.00 7 D 8.60 4.76 0.00 2.64 2.60 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 8 V 8.42 4.56 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 0.83 0.00 0.00 0.95 0.00 0.00 9 T 7.79 4.45 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 1.22 0.00 0.00 10 Q 8.52 3.80 0.00 1.86 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.96 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 11 G 8.87 4.11 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 0.00 0.00 0.00 12 L 8.16 5.10 0.00 1.67 1.49 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.83 5.15 0.00 1.87 1.80 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 2.21 2.23 0.00 14 K 8.29 4.04 0.00 1.74 1.71 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.51 7.81 15 G 8.92 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 16 S 8.14 4.33 0.00 3.83 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 17 L 8.44 5.13 0.00 1.51 1.59 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.72 4.72 1.99 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 1.20 1.02 0.89 0.00 0.00 19 T 8.41 4.45 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 20 C 8.73 4.71 0.00 2.98 3.07 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 0.00 0.00 0.00 21 A 8.44 4.52 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 22 D 7.61 4.90 0.00 2.68 2.60 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 23 N 8.54 5.09 0.00 2.72 2.92 0.00 0.00 6.01 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 24 T 8.69 3.91 4.22 0.00 0.00 0.00 0.00 0.00 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 25 G 8.34 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.50 4.86 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.88 4.34 0.00 1.77 1.96 0.00 3.08 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 28 E 8.02 4.99 0.00 2.01 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 2.26 2.44 0.00 29 L 8.86 5.14 0.00 1.58 1.50 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.94 4.89 0.00 1.73 1.73 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.33 7.81 31 V 8.63 3.99 2.20 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 0.91 0.00 0.00 0.95 0.00 0.00 32 I 8.37 4.43 1.87 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 1.22 0.99 0.91 0.00 0.00 33 S 7.66 4.62 0.00 3.75 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.14 4.61 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 1.00 0.00 0.00 0.83 0.00 0.00 35 H 9.11 4.04 0.00 3.26 3.35 0.00 6.15 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 36 G 8.40 4.04 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 0.00 0.00 0.00 37 Y 7.81 4.67 0.00 3.09 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 38 S 7.36 4.47 0.00 3.78 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 39 G 7.64 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 40 T 8.45 4.35 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 1.23 0.00 0.00 41 K 8.44 3.99 0.00 1.75 1.73 0.00 1.95 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.53 7.81 42 N 8.93 4.40 0.00 2.93 2.97 0.00 0.00 7.00 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 43 R 7.97 4.08 0.00 1.80 2.07 0.00 3.37 0.00 0.00 3.37 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.66 0.00 44 H 8.76 4.46 0.00 3.32 3.20 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 45 P 0.00 4.65 0.00 2.18 2.44 0.00 3.72 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 2.10 2.04 0.00 46 K 7.92 4.98 0.00 1.64 1.73 0.00 1.48 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.09 1.10 7.81 47 A 9.15 4.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 9.21 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 0.00 0.00 0.00 49 L 8.26 4.17 0.00 1.66 1.65 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.84 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 51 D 7.90 4.90 0.00 2.78 2.60 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 52 K 8.64 4.78 0.00 1.80 1.68 0.00 1.51 0.00 0.00 1.66 0.00 0.00 2.68 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.35 1.49 7.81 53 I 8.21 4.98 1.98 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 1.18 0.67 0.89 0.00 0.00 54 T 8.76 4.89 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 1.26 0.00 0.00 55 V 9.50 5.08 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 1.13 0.00 0.00 0.90 0.00 0.00 56 S 8.77 5.19 0.00 3.89 3.88 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 57 V 8.21 4.29 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 0.94 0.00 0.00 0.94 0.00 0.00 58 T 9.12 4.12 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 1.32 0.00 0.00 59 K 8.71 4.57 0.00 1.65 1.64 0.00 1.65 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.39 7.81 60 G 8.71 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 0.00 0.00 0.00 61 T 8.46 3.95 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 62 P 0.00 4.19 0.00 2.17 2.17 0.00 3.59 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 2.12 2.20 0.00 63 E 8.09 3.76 0.00 1.93 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 2.31 2.34 0.00 64 M 8.16 4.21 0.00 2.01 2.20 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 2.58 2.70 0.00 65 R 6.80 3.94 0.00 1.91 1.86 0.00 3.26 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 1.77 1.60 0.00 66 R 8.50 3.98 0.00 1.99 2.09 0.00 3.15 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 67 Q 7.60 4.20 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 68 V 8.35 4.28 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 0.79 0.00 0.00 0.92 0.00 0.00 69 L 8.84 4.87 0.00 1.55 1.52 0.90 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.39 4.85 0.00 1.98 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 0.00 2.20 2.25 0.00 71 A 8.26 4.88 1.15 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 0.00 0.00 72 V 8.12 4.56 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 0.91 0.00 0.00 -0.24 0.00 0.00 73 V 8.48 4.20 2.20 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 0.81 0.00 0.00 0.93 0.00 0.00 74 V 8.88 4.17 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 0.80 0.00 0.00 0.95 0.00 0.00 75 R 7.45 4.15 0.00 1.50 1.27 0.00 3.17 0.00 0.00 3.53 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 1.27 0.00 76 Q 8.01 4.97 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.33 2.67 0.00 77 R 9.07 4.33 0.00 1.86 2.07 0.00 3.15 0.00 0.00 3.03 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.55 0.00 78 K 7.83 4.24 0.00 1.77 1.73 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.57 1.55 7.81 79 P 0.00 5.00 0.00 2.13 1.96 0.00 3.61 0.00 0.00 3.95 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 80 I 8.55 4.91 2.02 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 1.44 1.37 0.99 0.00 0.00 81 R 8.86 4.96 0.00 1.91 1.84 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 82 R 8.74 4.79 0.00 1.81 1.82 0.00 3.22 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.61 0.00 83 P 0.00 4.15 0.00 2.04 2.12 0.00 3.67 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 2.04 2.13 0.00 84 D 8.06 4.63 0.00 2.78 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 85 G 8.56 4.04 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 0.00 0.00 0.00 86 T 7.66 4.13 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 1.19 0.00 0.00 87 R 8.41 5.12 0.00 1.66 1.83 0.00 3.32 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 88 V 8.84 4.55 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 0.76 0.00 0.00 0.90 0.00 0.00 89 K 8.36 5.07 0.00 1.98 1.71 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.75 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.23 1.41 7.81 90 F 8.88 4.73 0.00 3.32 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 91 E 9.05 4.07 0.00 1.97 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 2.31 2.26 0.00 92 D 7.75 4.75 0.00 2.68 2.64 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 93 N 8.69 5.18 0.00 2.63 2.71 0.00 0.00 6.49 7.72 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 94 A 9.13 5.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 9.23 4.99 1.15 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 0.00 0.00 96 V 8.63 4.55 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 1.00 0.00 0.00 0.94 0.00 0.00 97 I 8.26 4.23 1.83 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 1.24 0.34 0.90 0.00 0.00 98 V 8.54 4.73 1.90 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 0.57 0.00 0.00 0.79 0.00 0.00 99 D 7.78 5.07 0.00 2.93 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 0.00 100 E 8.84 3.93 0.00 1.97 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 0.00 2.31 2.34 0.00 101 N 9.18 4.55 0.00 2.93 2.86 0.00 0.00 7.17 5.12 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 0.00 102 E 8.26 3.76 0.00 2.21 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 2.17 2.28 0.00 103 D 8.28 5.08 0.00 2.83 2.57 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 0.00 0.00 0.00 0.00 104 P 0.00 4.40 0.00 2.19 2.19 0.00 3.69 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 2.07 1.98 0.00 105 R 8.57 3.94 0.00 1.78 1.97 0.00 3.22 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 106 G 7.09 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 0.00 0.00 0.00 107 T 8.59 4.43 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 0.00 108 E 9.48 4.81 0.00 1.80 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 2.21 2.25 0.00 109 L 8.50 5.04 0.00 1.52 1.58 0.96 0.95 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 0.00 110 K 8.19 4.29 0.00 1.67 1.74 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.38 7.81 111 G 8.94 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 0.00 112 P 0.00 4.89 0.00 2.27 2.17 0.00 3.81 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 2.16 2.12 0.00 113 I 8.38 4.74 1.90 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 1.13 0.87 0.92 0.00 0.00 114 A 8.22 4.87 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 0.00 115 R 9.07 3.89 0.00 2.07 2.25 0.00 3.01 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 116 E 8.37 4.14 0.00 2.10 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 0.00 2.42 2.60 0.00 117 V 7.94 3.39 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 1.28 0.00 0.00 0.98 0.00 0.00 118 A 8.33 4.00 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 0.00 119 Q 7.18 4.13 0.00 1.94 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.67 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 120 R 7.92 4.09 0.00 1.17 0.66 0.00 2.81 0.00 0.00 2.85 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.28 0.00 121 F 7.74 4.94 0.00 3.13 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 0.00 122 G 8.43 3.85 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 0.00 0.00 0.00 123 S 8.11 4.19 0.00 4.07 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 V 7.85 3.56 2.39 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 1.06 0.00 0.00 0.91 0.00 0.00 125 A 8.25 4.07 1.43 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 0.00 0.00 0.00 126 S 8.82 4.40 0.00 4.03 4.11 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 0.00 127 A 7.57 4.68 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.16 4.26 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 0.00 129 T 8.50 4.23 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 1.22 0.00 0.00 130 M 7.84 4.81 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 131 I 8.44 4.65 1.90 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 1.26 0.63 0.94 0.00 0.00 132 V 8.50 3.95 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 0.66 0.00 0.00 0.98 0.00 0.00