NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 P 4.3841 0.0000 0.0000 62.3053 32.6971 175.3004 8 E 4.1174 8.3479 117.6703 54.0967 30.2659 176.2481 9 T 4.1608 8.9926 114.2579 61.2691 72.0339 175.1443 10 L 3.9532 8.4955 122.0862 58.2821 41.5169 179.7455 11 E 3.9882 8.2212 117.4053 59.5189 29.6559 179.1685 12 A 3.9848 7.8962 120.2512 55.0992 18.3454 179.3518 13 R 3.8446 8.3302 117.4683 59.8502 30.2473 178.5435 14 I 3.3992 8.6920 118.4887 64.0456 37.4729 177.6821 15 N 4.3087 8.4768 117.6325 56.3355 38.1443 177.6269 16 R 3.8844 7.6710 117.7823 59.2338 30.3144 178.8313 17 A 4.0585 8.0468 119.1588 53.9337 18.4753 177.9582 18 T 4.0738 7.3519 104.9807 60.3698 70.0298 172.9813 19 N 4.0787 7.6857 121.1527 53.7987 38.9023 173.4410 20 P 4.5793 0.0000 0.0000 64.5028 31.4198 176.8440 21 L 4.3542 8.9722 119.3210 55.7459 42.0537 176.8970 22 N 4.5642 8.1683 117.7615 53.3778 38.7593 175.5105 23 K 4.1771 8.7803 122.7977 58.4934 32.6460 176.2169 24 E 4.8487 7.7165 114.3591 54.5394 32.4093 174.4487 25 L 3.8710 8.4364 119.3771 54.9021 42.1071 177.9827 26 D 4.6869 7.7483 122.2129 52.3013 40.5661 176.6134 27 W 4.1850 8.2359 125.0961 58.7849 29.3415 177.1657 28 A 4.0562 8.3270 120.6682 55.7753 17.6133 179.8328 29 S 4.1012 8.1844 112.5913 61.5955 62.9236 176.8019 30 I 3.6118 7.9005 122.6426 64.7018 36.8674 178.4194 31 N 4.6079 9.0147 117.6856 56.0383 38.3802 177.8792 32 G 3.6025 8.5246 107.8104 47.4856 0.0000 175.3435 33 F 4.1021 8.5039 123.2507 61.4519 39.2367 176.5839 34 C 3.9936 8.0460 115.9256 60.0577 36.0674 175.5363 35 E 3.7375 8.2883 120.9464 59.5741 29.1924 178.6817 36 Q 3.9201 7.8269 119.3791 58.5322 29.0277 177.7495 37 L 3.8508 7.4929 120.9286 58.3704 40.3226 178.7147 38 N 4.2444 7.5198 117.3076 56.1379 38.8892 176.1897 39 E 3.9929 7.5170 120.4493 57.6925 30.4008 176.5965 40 D 4.6043 7.5156 118.8425 52.9936 41.9025 176.3721 41 F 4.2991 8.7912 126.8583 61.6224 38.9765 176.5186 42 E 4.6234 8.2012 117.6904 56.2395 29.9257 178.3420 43 G 3.9887 7.7506 108.4931 47.2037 0.0000 174.3435 44 P 4.3797 0.0000 0.0000 64.4904 31.5180 177.1641 45 P 4.2909 0.0000 0.0000 65.1944 31.2364 178.4502 46 L 3.9537 7.6894 118.1164 58.0477 41.9570 178.7392 47 A 4.1426 8.1253 120.8074 55.6734 18.3160 179.5526 48 T 3.7413 7.9553 111.1492 65.1589 66.8941 176.4030 49 R 4.0175 7.9905 120.2755 59.5630 30.1390 178.5895 50 L 4.1392 8.3553 118.9759 57.6149 41.5374 179.5051 51 L 4.0037 8.5671 119.1460 57.7549 41.4314 179.0910 52 A 4.0384 8.1047 119.3405 55.6498 18.7024 178.8420 53 H 4.2529 7.9911 115.6799 59.4931 30.0204 177.5603 54 K 3.9180 7.9004 119.8157 59.6394 31.6589 179.4391 55 I 3.8685 7.8995 118.9413 63.6187 37.0329 177.4016 56 Q 4.3779 7.3617 116.5320 54.6809 29.1317 175.7885 57 S 4.1800 7.2315 115.9500 57.6951 62.8458 172.8335 58 P 4.2892 0.0000 0.0000 64.6907 31.5816 176.9495 59 Q 4.3406 7.9123 118.3812 54.5702 29.1920 175.8453 60 E 3.9838 8.8109 127.0421 59.1582 29.7613 178.3961 61 W 4.7858 8.2184 127.8528 60.0025 30.8804 177.5192 62 E 3.9850 8.4624 120.1851 58.6725 29.1642 178.5531 63 A 4.1098 7.8989 120.6617 55.2278 18.5452 179.7236 64 I 3.7026 8.3447 118.6763 64.5819 37.2280 178.6704 65 Q 3.5520 7.6628 118.6473 58.6207 28.2976 178.7348 66 A 3.8244 7.6901 121.6650 55.1679 18.3450 179.6543 67 L 4.0209 8.0242 117.4273 58.2860 41.5529 179.9934 68 T 3.9119 7.6710 115.3636 66.3609 68.3333 176.8690 69 V 3.4862 7.7090 120.1558 65.9364 31.5873 177.3339 70 L 4.1243 8.1163 120.2152 58.5375 41.8666 178.2435 71 E 4.2586 8.6890 119.0058 60.0098 29.6849 178.9396 72 T 3.9989 8.2648 115.4149 67.2843 68.6702 176.0080 73 C 4.5019 8.4201 119.1642 59.2678 39.9212 176.1251 74 M 4.2603 8.2477 120.1106 58.3492 31.6029 178.5316 75 K 4.2440 8.1759 118.1582 59.0452 32.2412 178.8216 76 S 4.5104 8.0548 113.5048 60.4337 63.7630 174.1781 77 C 4.4269 7.8895 119.2166 57.4397 30.0292 172.5728 78 G 3.8875 8.5653 108.4677 45.7588 0.0000 174.0328 79 K 4.3780 8.6174 122.9576 57.3171 34.1056 178.3000 80 R 3.8753 7.9006 117.9355 59.2001 30.0033 178.6271 81 F 4.0488 8.0100 119.6364 61.7030 39.5653 176.4649 82 H 3.8156 8.0608 115.3142 59.3084 28.1754 177.2147 83 D 4.4062 8.0349 119.6795 57.2385 40.7375 178.3102 84 E 3.9574 7.6236 118.2404 59.3334 29.3422 179.2890 85 V 3.3390 7.2424 118.2180 64.7138 31.1498 176.6854 86 G 3.7637 7.3738 104.4804 44.0194 0.0000 173.2820 87 K 4.4091 6.9324 119.3151 53.8079 34.7492 177.8051 88 F 4.4133 8.0604 120.6034 60.6892 38.5286 177.6693 89 R 3.9809 8.1972 117.3926 59.3735 29.9901 177.5634 90 F 4.3465 7.9753 119.1670 60.8580 39.8196 177.3545 91 L 4.0143 8.2381 118.7812 57.9971 41.3478 179.1254 92 N 4.2161 8.6904 116.6745 56.6338 38.0293 177.2273 93 E 3.8532 7.8599 119.5528 59.0383 29.3083 179.4877 94 L 3.9381 7.3851 118.7303 57.8077 41.7191 179.1927 95 I 3.7252 7.9045 119.9287 64.3777 36.9471 178.4302 96 K 3.8681 8.1046 119.3577 59.6715 31.7338 179.5120 97 V 3.6359 7.5036 117.7698 65.5099 31.2802 177.7061 98 V 4.1594 7.5300 109.3941 60.4355 32.2840 175.6084 99 S 4.7517 7.3590 115.0588 55.5691 63.6314 172.4549 100 P 4.1800 0.0000 0.0000 65.6853 31.3295 178.1478 101 K 3.8318 7.8006 117.2296 58.7945 33.6172 176.3873 102 Y 4.3342 7.3386 111.6714 58.2231 38.1107 176.5914 103 L 4.4712 6.2214 134.4136 55.5794 43.2697 178.6097 104 G 3.9746 8.4720 109.3720 49.2198 0.0000 176.2029 105 S 4.1492 8.1244 114.9748 60.4961 62.9839 175.0774 106 R 4.5280 7.8158 114.0415 55.8987 29.4872 175.6517 107 T 4.5877 7.3990 115.2844 61.9018 70.4528 175.4714 108 S 4.3120 8.3763 119.9603 58.4320 65.0140 175.1739 109 E 3.9399 8.8244 123.0021 59.6430 29.2260 179.5896 110 K 3.8687 8.0348 118.8980 59.6546 32.3002 178.8510 111 V 3.6278 7.6349 117.8289 65.9859 31.4838 178.1975 112 K 4.0312 8.0565 118.2602 59.5560 31.9003 179.2099 113 N 4.3807 8.7097 117.2592 55.9418 38.3133 177.4391 114 K 3.9338 8.2018 121.1804 59.4868 32.2853 178.9068 115 I 3.6439 7.7305 120.0160 64.4931 37.1795 178.3271 116 L 4.0645 8.0176 119.7262 57.7358 41.3732 179.2670 117 E 3.9265 8.3293 119.1174 59.2542 29.6626 178.7036 118 L 3.3675 7.7839 118.9962 57.5680 41.5930 179.3685 119 L 3.7178 7.3991 118.6176 57.9950 41.5689 178.6179 120 Y 3.2637 7.5123 119.0558 60.7956 38.6113 178.3715 121 S 3.8102 7.8917 114.6980 61.4619 62.6989 176.6718 122 W 4.3674 7.7309 122.4386 59.6475 28.6669 178.4866 123 T 3.9181 7.7437 108.3534 63.8200 67.9504 175.5077 124 V 4.0377 6.8221 119.5870 64.7237 32.5603 177.4305 125 G 3.8543 7.9490 103.4758 45.6664 0.0000 173.7883 126 L 5.1417 8.3372 120.2649 51.2300 41.8971 175.4899 127 P 4.3390 0.0000 0.0000 65.3536 32.1867 178.7645 128 E 4.0789 8.0973 118.2297 58.7798 29.6521 176.4371 129 E 4.4960 7.8105 120.5721 55.1133 27.9961 177.5807 130 V 3.8126 7.5920 115.2311 63.6459 31.9877 177.9270 131 K 4.1244 7.8814 118.4247 59.0946 31.8742 178.9900 132 I 3.8400 7.4718 118.8760 64.5730 37.0037 178.3170 133 A 4.1358 8.0707 120.9721 54.9359 18.2512 179.1623 134 E 3.9540 8.4260 117.8031 59.5333 29.8821 178.9365 135 A 4.1243 8.6799 121.2841 55.2326 18.3570 179.0074 136 Y 3.9762 8.4224 118.0916 61.0978 38.9823 177.9718 137 Q 3.9344 8.6481 120.7728 59.3292 29.1661 178.1089 138 M 4.0276 8.2334 119.3818 58.5580 32.3226 178.2300 139 L 3.9645 7.8164 119.0820 57.4055 41.7333 179.3329 140 K 3.9567 7.9371 121.1925 58.9407 31.9613 178.7094 141 K 4.0112 8.1050 118.6512 59.4867 32.1109 177.8877 142 Q 4.2600 7.8402 115.6342 55.8841 28.8712 176.8013 143 G 3.8809 8.1203 108.4835 46.0823 0.0000 175.1897 144 I 3.6661 7.8009 121.6742 63.9659 37.5364 176.4550 145 V 3.6909 7.4589 124.8681 63.3193 30.9082 175.9966 146 K 5.1027 8.3203 125.2817 55.8751 32.2065 176.6061 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 7 P 0.00 4.38 0.00 2.17 2.15 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.11 0.00 8 E 8.35 4.12 0.00 2.07 1.93 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 2.31 2.36 0.00 9 T 8.99 4.16 4.37 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 1.21 0.00 0.00 10 L 8.50 3.95 0.00 1.71 1.82 0.51 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.22 3.99 0.00 2.08 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 0.00 2.43 2.49 0.00 12 A 7.90 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 13 R 8.33 3.84 0.00 2.34 2.29 0.00 3.20 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.01 0.00 14 I 8.69 3.40 2.04 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.87 1.00 0.00 0.00 15 N 8.48 4.31 0.00 2.79 2.84 0.00 0.00 7.01 8.49 0.00 0.00 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 R 7.67 3.88 0.00 1.99 1.96 0.00 3.16 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 17 A 8.05 4.06 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.35 4.07 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 1.02 0.00 0.00 19 N 7.69 4.08 0.00 2.87 2.93 0.00 0.00 6.93 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 20 P 0.00 4.58 0.00 2.31 2.23 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 21 L 8.97 4.35 0.00 1.85 1.80 0.94 0.57 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 22 N 8.17 4.56 0.00 3.11 3.16 0.00 0.00 6.99 6.93 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 23 K 8.78 4.18 0.00 1.77 1.86 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.39 7.81 24 E 7.72 4.85 0.00 2.11 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 2.23 2.39 0.00 25 L 8.44 3.87 0.00 1.35 0.77 0.98 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 26 D 7.75 4.69 0.00 2.68 2.38 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 27 W 8.24 4.19 0.00 3.49 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 28 A 8.33 4.06 1.41 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 0.00 0.00 0.00 29 S 8.18 4.10 0.00 4.04 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 30 I 7.90 3.61 1.87 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.62 0.92 0.00 0.00 31 N 9.01 4.61 0.00 3.04 2.95 0.00 0.00 7.01 7.61 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 32 G 8.52 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 0.00 0.00 0.00 33 F 8.50 4.10 0.00 3.05 3.16 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 0.00 0.00 0.00 0.00 34 C 8.05 3.99 0.00 3.09 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 35 E 8.29 3.74 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 36 Q 7.83 3.92 0.00 2.28 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.59 0.00 0.00 0.00 0.00 0.00 2.45 2.28 0.00 37 L 7.49 3.85 0.00 1.66 1.28 0.55 -0.33 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 38 N 7.52 4.24 0.00 2.54 3.00 0.00 0.00 7.16 8.30 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 39 E 7.52 3.99 0.00 1.89 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 2.25 2.27 0.00 40 D 7.52 4.60 0.00 2.76 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.79 4.30 0.00 2.96 2.99 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 42 E 8.20 4.62 0.00 2.08 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 2.29 2.24 0.00 43 G 7.75 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 44 P 0.00 4.38 0.00 2.20 2.25 0.00 3.62 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 45 P 0.00 4.29 0.00 2.16 2.09 0.00 3.65 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 2.10 2.12 0.00 46 L 7.69 3.95 0.00 1.80 1.89 1.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 47 A 8.13 4.14 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 48 T 7.96 3.74 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 1.32 0.00 0.00 49 R 7.99 4.02 0.00 2.17 2.06 0.00 3.18 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 50 L 8.36 4.14 0.00 1.92 1.81 1.08 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.57 4.00 0.00 2.13 1.97 1.23 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.10 4.04 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 53 H 7.99 4.25 0.00 3.25 3.49 0.00 5.60 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 54 K 7.90 3.92 0.00 1.92 1.77 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.71 1.56 7.81 55 I 7.90 3.87 2.11 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.62 0.93 0.00 0.00 56 Q 7.36 4.38 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 57 S 7.23 4.18 0.00 3.87 3.76 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 58 P 0.00 4.29 0.00 2.09 2.10 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 59 Q 7.91 4.34 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 60 E 8.81 3.98 0.00 2.09 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 2.45 2.42 0.00 61 W 8.22 4.79 0.00 3.35 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 62 E 8.46 3.99 0.00 2.02 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 0.00 2.29 2.28 0.00 63 A 7.90 4.11 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.34 3.70 2.13 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.41 1.09 0.00 0.00 65 Q 7.66 3.55 0.00 1.58 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.24 1.16 0.00 66 A 7.69 3.82 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 67 L 8.02 4.02 0.00 1.89 1.79 0.95 0.70 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 68 T 7.67 3.91 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 1.05 0.00 0.00 69 V 7.71 3.49 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 0.53 0.00 0.00 0.65 0.00 0.00 70 L 8.12 4.12 0.00 1.99 2.09 0.99 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.69 4.26 0.00 2.30 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 72 T 8.26 4.00 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 1.44 0.00 0.00 73 C 8.42 4.50 0.00 2.87 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 74 M 8.25 4.26 0.00 2.00 2.59 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.82 0.00 75 K 8.18 4.24 0.00 2.01 1.94 0.00 1.80 0.00 0.00 1.83 0.00 0.00 3.16 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.59 1.75 7.81 76 S 8.05 4.51 0.00 4.08 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 C 7.89 4.43 0.00 3.16 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 78 G 8.57 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 79 K 8.62 4.38 0.00 1.79 1.74 0.00 1.72 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.46 7.81 80 R 7.90 3.88 0.00 1.90 1.99 0.00 3.23 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 81 F 8.01 4.05 0.00 3.00 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 82 H 8.06 3.82 0.00 3.24 3.31 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.03 4.41 0.00 2.73 2.63 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 0.00 0.00 0.00 0.00 84 E 7.62 3.96 0.00 1.83 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 2.28 2.53 0.00 85 V 7.24 3.34 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 0.40 0.00 0.00 -0.39 0.00 0.00 86 G 7.37 3.76 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 0.00 0.00 0.00 87 K 6.93 4.41 0.00 1.91 1.64 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.24 1.50 7.81 88 F 8.06 4.41 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 89 R 8.20 3.98 0.00 1.85 2.05 0.00 3.26 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 90 F 7.98 4.35 0.00 3.19 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.24 4.01 0.00 1.88 1.88 1.27 1.08 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 92 N 8.69 4.22 0.00 2.72 2.78 0.00 0.00 7.00 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 93 E 7.86 3.85 0.00 1.74 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 2.34 2.41 0.00 94 L 7.39 3.94 0.00 1.84 1.73 1.21 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 95 I 7.90 3.73 1.94 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 1.55 0.83 0.89 0.00 0.00 96 K 8.10 3.87 0.00 1.91 1.84 0.00 1.54 0.00 0.00 1.48 0.00 0.00 2.73 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.08 1.26 7.81 97 V 7.50 3.64 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 1.04 0.00 0.00 1.01 0.00 0.00 98 V 7.53 4.16 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 0.85 0.00 0.00 1.04 0.00 0.00 99 S 7.36 4.75 0.00 3.90 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.18 0.00 2.15 2.06 0.00 3.67 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 101 K 7.80 3.83 0.00 1.32 0.74 0.00 1.61 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.00 1.25 7.81 102 Y 7.34 4.33 0.00 3.35 2.53 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 0.00 103 L 6.22 4.47 0.00 1.84 1.72 0.93 0.88 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 0.00 104 G 8.47 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 0.00 105 S 8.12 4.15 0.00 3.86 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 0.00 106 R 7.82 4.53 0.00 1.94 2.00 0.00 3.05 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 107 T 7.40 4.59 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 1.23 0.00 0.00 108 S 8.38 4.31 0.00 4.06 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 0.00 109 E 8.82 3.94 0.00 2.08 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 2.41 2.45 0.00 110 K 8.03 3.87 0.00 1.84 1.84 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.54 7.81 111 V 7.63 3.63 2.22 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 1.00 0.00 0.00 0.97 0.00 0.00 112 K 8.06 4.03 0.00 1.88 1.85 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.16 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.66 7.81 113 N 8.71 4.38 0.00 2.82 2.87 0.00 0.00 6.67 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 K 8.20 3.93 0.00 2.02 2.00 0.00 1.53 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.55 7.81 115 I 7.73 3.64 2.03 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 1.56 0.56 0.94 0.00 0.00 116 L 8.02 4.06 0.00 1.87 1.81 0.92 0.71 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 0.00 117 E 8.33 3.93 0.00 2.28 1.95 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 2.32 2.50 0.00 118 L 7.78 3.37 0.00 1.36 0.35 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.40 3.72 0.00 1.80 1.87 1.08 0.94 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 0.00 120 Y 7.51 3.26 0.00 2.93 3.02 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 0.00 121 S 7.89 3.81 0.00 3.99 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 0.00 122 W 7.73 4.37 0.00 3.54 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 0.00 123 T 7.74 3.92 4.15 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 1.14 0.00 0.00 124 V 6.82 4.04 1.95 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 0.77 0.00 0.00 0.45 0.00 0.00 125 G 7.95 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 0.00 126 L 8.34 5.14 0.00 1.67 1.45 0.53 0.62 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 0.00 127 P 0.00 4.34 0.00 2.16 2.16 0.00 3.80 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 1.97 1.97 0.00 128 E 8.10 4.08 0.00 2.07 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 2.38 2.37 0.00 129 E 7.81 4.50 0.00 2.09 1.81 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 2.23 2.28 0.00 130 V 7.59 3.81 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 0.98 0.00 0.00 0.93 0.00 0.00 131 K 7.88 4.12 0.00 1.63 1.03 0.00 1.38 0.00 0.00 0.61 0.00 0.00 2.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.20 1.29 7.81 132 I 7.47 3.84 2.06 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 1.52 0.57 1.24 0.00 0.00 133 A 8.07 4.14 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 0.00 134 E 8.43 3.95 0.00 2.49 2.32 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 2.41 2.45 0.00 135 A 8.68 4.12 1.59 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 0.00 136 Y 8.42 3.98 0.00 3.25 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 0.00 137 Q 8.65 3.93 0.00 2.28 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.59 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 138 M 8.23 4.03 0.00 2.28 2.04 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 2.57 0.00 139 L 7.82 3.96 0.00 1.74 1.60 0.96 0.69 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 0.00 140 K 7.94 3.96 0.00 1.54 1.81 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.35 1.17 7.81 141 K 8.11 4.01 0.00 1.90 1.82 0.00 1.85 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.48 7.81 142 Q 7.84 4.26 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.93 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 143 G 8.12 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 0.00 0.00 0.00 144 I 7.80 3.67 1.96 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.80 0.94 0.00 0.00 145 V 7.46 3.69 1.83 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 0.78 0.00 0.00 0.44 0.00 0.00 146 K 8.32 5.10 0.00 1.74 1.66 0.00 1.87 0.00 0.00 2.40 0.00 0.00 3.09 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.32 7.81