NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4557 8.3049 120.3267 54.9318 34.0844 175.3742 2 R 4.4659 7.7684 115.6835 53.9519 32.1464 172.2716 3 E 4.6918 8.4554 120.4267 54.2349 33.5211 175.2435 4 D 4.6101 8.2492 120.6606 53.7885 42.0935 177.4184 5 K 3.8735 8.4342 121.9954 58.8268 32.2115 177.9684 6 I 3.9532 7.2365 117.1157 60.1088 38.5243 175.2030 7 A 4.2967 8.2817 129.8548 50.6359 19.8173 176.8016 8 A 4.0538 8.2914 122.2868 52.2344 17.7582 178.0042 9 K 4.1993 8.3812 121.2672 57.0907 32.8831 177.1575 10 K 4.6139 8.2818 120.6565 54.4616 35.0955 175.3870 11 K 4.5043 8.1936 120.8656 55.2387 33.5234 176.3281 12 L 4.2435 8.3937 123.9288 56.6661 42.3291 177.0070 13 H 4.6451 7.8952 115.1032 54.1835 29.9119 174.7916 14 Q 4.1505 8.4371 123.5133 55.7234 29.2468 175.8438 15 D 4.5262 8.4338 122.5918 53.7509 41.8978 176.0871 16 K 4.4791 8.3606 121.2507 55.6954 33.6129 177.0683 17 R 4.5446 8.2499 120.8025 55.3439 31.4963 178.1241 18 V 3.9318 8.3034 112.7958 63.9823 31.2686 178.1370 19 H 4.5348 8.3472 117.4776 58.7063 29.4755 176.2942 20 E 4.1125 8.1918 120.2880 58.6952 29.7999 178.6337 21 L 3.6819 7.7516 118.1330 57.7404 41.8239 179.3508 22 A 4.0488 8.1991 120.7103 54.7358 18.1873 179.7158 23 R 2.7406 7.4345 117.1308 59.2901 30.1457 178.7990 24 V 3.2513 6.8147 116.9053 65.5334 31.3968 177.7770 25 K 3.9109 7.7030 119.8005 59.3184 31.9029 178.4429 26 F 4.0522 8.3519 121.0722 61.5959 39.4737 176.8437 27 M 3.3534 7.5391 117.7773 58.2075 31.6569 178.4303 28 Q 3.8778 8.3324 119.6909 59.4102 29.3015 177.9017 29 D 4.2732 8.4810 119.2031 57.3229 41.2315 178.3614 30 V 3.4181 7.5547 119.0254 65.9491 31.2304 178.2574 31 V 3.7839 7.6230 117.6855 65.9394 31.2173 177.5162 32 N 4.5152 8.3811 115.3003 53.8733 38.7128 175.2408 33 S 4.7299 7.4915 115.2680 56.4730 65.0983 174.5192 34 D 4.6343 8.4433 118.7027 55.6513 40.6865 177.8570 35 T 4.0059 7.4392 116.3562 66.4111 68.5806 176.1790 36 F 4.8894 8.1818 118.0657 56.8891 40.6331 177.1053 37 K 4.2523 7.4649 124.4132 58.9024 32.0128 178.2806 38 G 3.6342 8.0917 106.1203 47.1648 0.0000 172.9406 39 Q 4.3930 8.0374 120.1979 53.5472 29.4884 173.8261 40 P 4.3489 0.0000 0.0000 65.0577 31.9097 176.5811 41 I 4.6097 7.0908 116.8899 59.1308 40.7618 174.8511 42 F 5.1770 8.6796 123.4041 55.9512 43.0572 172.5711 43 D 5.5402 8.4117 117.2014 51.2819 42.6059 175.6876 44 H 5.0124 9.2999 114.7176 57.7821 28.7848 177.5748 45 A 3.9923 8.5390 123.4537 55.4539 18.2079 179.3621 46 H 3.9489 8.9677 114.7994 58.7764 28.6382 177.6247 47 T 3.8597 7.7294 118.0321 66.9111 68.3062 176.1343 48 R 3.8961 8.0270 119.7824 59.4020 30.1012 178.0502 49 E 3.7452 7.8960 118.9173 59.6987 29.5609 179.0643 50 F 4.7108 8.0705 117.4890 60.4117 39.1772 178.0580 51 I 3.6992 8.4180 119.8706 64.4840 36.8660 178.2962 52 Q 3.5694 8.2582 120.6211 59.1139 28.9178 178.3333 53 S 3.9513 7.8427 115.9129 61.4598 62.5958 176.4525 54 F 3.9378 7.8978 122.4677 61.1061 39.4275 177.1382 55 I 3.6594 7.4742 119.1069 64.2356 37.0364 177.5609 56 E 4.3091 8.5355 119.7436 56.5494 29.2846 177.9606 57 R 3.7571 7.6660 118.5807 60.1702 29.3973 177.7742 58 D 4.2775 7.8848 118.9609 56.4063 39.1599 178.1029 59 D 4.3470 8.2490 119.7143 57.2710 40.9523 178.3083 60 T 3.8526 7.6613 115.3579 66.3718 68.6165 175.6771 61 E 4.0794 7.8595 121.4471 58.9628 29.6592 178.4703 62 L 3.9666 8.4175 120.7834 57.9935 42.0746 178.3896 63 D 4.2933 8.4742 118.6367 57.3306 41.1108 178.1271 64 E 4.0101 8.0491 119.0368 59.1515 28.8893 179.2900 65 L 4.0450 7.7166 118.8494 57.6338 41.5968 179.3940 66 K 4.0447 8.0446 117.7243 58.8575 32.2199 179.1856 67 K 4.1013 8.0430 120.3407 59.3891 32.3186 178.6507 68 K 4.3313 8.0248 118.2674 57.0762 32.1220 178.9229 69 R 3.9293 7.6820 119.6543 59.3962 29.7638 178.0026 70 R 4.2215 7.7633 115.7838 57.7910 30.2851 177.8994 71 S 4.3817 7.9092 114.5686 58.2416 62.6019 174.1791 72 N 4.3422 8.1920 118.7453 54.1398 37.5636 174.9261 73 R 4.5738 7.5609 116.6772 53.7623 30.5861 171.1342 74 P 4.6436 0.0000 0.0000 60.3502 33.1675 175.8509 75 P 4.4986 0.0000 0.0000 61.8622 29.8530 176.7751 76 S 4.0863 8.6146 119.5189 61.5753 63.3631 176.4060 77 N 4.5252 8.1694 117.1690 56.4659 39.0262 177.2433 78 R 3.9272 7.8298 118.7417 58.9522 30.1597 178.6350 79 Q 3.9226 8.2714 119.8492 58.8253 28.9287 178.4037 80 V 3.6763 7.6332 119.0098 65.7331 31.8600 177.4829 81 L 4.1754 8.0751 121.7323 57.4720 41.4839 178.6655 82 L 3.9159 8.1825 120.4560 58.3426 42.0070 178.8587 83 Q 4.0404 7.7476 117.9495 59.1560 28.5528 178.1223 84 Q 4.0378 8.2280 119.4462 58.7165 28.6340 178.5780 85 R 3.9554 7.8976 119.5568 59.0980 30.0785 178.3863 86 R 3.8185 7.5183 117.4516 59.5158 30.0568 177.8208 87 D 4.3319 7.8731 117.3058 57.4295 41.1775 178.1471 88 Q 3.9601 7.9370 119.3744 59.3391 29.1412 178.0403 89 E 4.1398 8.5981 120.0425 59.5369 29.4915 179.4317 90 L 4.0950 8.5976 119.3352 57.5194 41.3922 179.4787 91 K 4.0990 7.8917 119.2290 59.3186 32.4017 178.2581 92 E 4.1991 8.5029 119.8948 59.0995 29.6088 178.5225 93 F 4.5007 8.5795 120.9614 61.2308 39.2332 177.0282 94 K 4.2370 8.7417 119.5033 57.8064 31.9315 177.5429 95 A 4.8155 7.5056 119.2161 50.8170 19.7316 175.6468 96 G 3.6197 7.8502 110.8098 46.6206 0.0000 173.3554 97 F 4.4859 9.1291 129.0897 57.5648 41.0257 174.4832 98 L 4.6788 7.8648 127.3576 55.0310 41.1602 174.8964 99 C 4.9277 9.0082 125.6918 56.2871 35.1873 171.3898 100 P 5.2746 0.0000 0.0000 61.9110 30.8861 176.4887 101 D 4.2614 8.7639 121.8086 54.6132 39.7446 177.9460 102 L 3.9269 8.2296 118.9721 55.2587 41.1677 174.7598 103 S 4.8965 7.8637 110.5261 58.0808 65.0060 173.0694 104 D 4.8276 8.6675 121.2536 53.4008 41.8322 176.6463 105 A 4.2709 8.6140 128.9687 54.4270 18.5152 179.4889 106 K 4.0045 8.0999 117.2458 59.6229 32.3929 178.6430 107 N 4.2651 9.2692 117.8790 57.2024 38.8968 176.8224 108 M 4.3586 8.5981 120.3080 58.1797 31.7339 178.3661 109 E 4.0559 7.8877 118.7694 59.0752 30.2130 178.3504 110 F 4.1060 8.7352 118.0568 60.4159 38.7452 177.2996 111 L 4.0359 8.4766 119.5079 58.2365 41.9035 178.7934 112 R 4.1369 7.8981 117.9020 58.6064 29.9981 177.1155 113 N 5.0813 7.5458 114.2636 51.7011 39.1370 174.9368 114 W 4.3085 8.0565 131.0603 57.7213 29.9603 175.2233 115 N 4.4950 8.1764 126.1218 53.3245 38.6294 175.3761 116 G 2.1221 5.5577 102.2387 46.3376 0.0000 174.4058 117 T 4.2767 6.0132 115.4181 61.8027 70.4107 176.3925 118 F 4.4268 8.9226 125.2185 60.5007 39.2258 178.3934 119 G 3.7709 8.2911 104.8424 47.4677 0.0000 175.2141 120 L 4.6798 7.6129 123.4062 57.0359 41.9175 178.0594 121 L 4.3588 7.8212 116.9388 55.8541 41.7615 177.1264 122 N 4.7892 8.0195 116.6958 54.2862 40.5471 175.6975 123 T 4.1831 7.6685 109.5223 61.8780 69.5074 174.7012 124 L 4.3152 6.8816 121.5868 54.6731 42.8933 177.4470 125 R 4.2555 8.5922 123.1571 55.3230 28.3015 173.8700 126 L 5.0659 7.6834 120.4763 52.9910 43.7788 176.1149 127 I 4.6792 8.6706 116.8366 59.2616 42.0477 173.8240 128 R 4.9207 8.4126 120.3654 55.0492 31.6454 175.7179 129 I 4.9601 9.0375 125.7739 59.3834 40.2055 174.1831 130 N 4.4040 8.8360 125.2753 54.1967 41.1756 173.5892 131 D 4.4285 7.7534 124.8325 54.7380 41.0039 173.5841 132 K 4.4690 8.9296 112.6809 56.3742 33.1465 176.8117 133 G 4.1356 8.2853 106.9765 45.4977 0.0000 173.5514 134 E 4.3037 8.5184 120.8033 55.1057 31.2873 175.2378 135 Q 4.3789 8.6329 127.7640 55.8901 29.7118 175.1556 136 V 4.1662 8.4633 128.2705 61.8144 32.0810 175.6468 137 V 4.5582 8.2652 120.7972 59.2455 34.8695 176.3812 138 G 3.5805 8.5361 111.4184 47.5855 0.0000 172.3911 139 G 3.4949 7.5409 106.6331 45.2999 0.0000 172.8065 140 N 4.9143 8.2246 119.8358 52.8637 40.0063 174.6858 141 E 4.2000 7.8113 124.6723 56.6200 29.6485 174.4142 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 4.46 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 2 R 7.77 4.47 0.00 1.86 1.83 0.00 3.16 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 3 E 8.46 4.69 0.00 1.93 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 2.21 2.25 0.00 4 D 8.25 4.61 0.00 2.67 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 0.00 0.00 0.00 5 K 8.43 3.87 0.00 1.80 1.86 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.47 1.38 7.81 6 I 7.24 3.95 1.87 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 1.23 0.76 1.01 0.00 0.00 7 A 8.28 4.30 1.24 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 0.00 0.00 8 A 8.29 4.05 1.27 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 0.00 0.00 0.00 0.00 0.00 9 K 8.38 4.20 0.00 1.76 1.75 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.63 7.81 10 K 8.28 4.61 0.00 1.70 1.70 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.55 7.81 11 K 8.19 4.50 0.00 1.70 1.68 0.00 1.75 0.00 0.00 1.90 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.44 7.81 12 L 8.39 4.24 0.00 1.66 1.65 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 13 H 7.90 4.65 0.00 3.05 3.13 0.00 5.70 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 8.44 4.15 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.01 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 15 D 8.43 4.53 0.00 2.69 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 16 K 8.36 4.48 0.00 2.15 1.92 0.00 2.27 0.00 0.00 1.94 0.00 0.00 3.15 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.56 7.81 17 R 8.25 4.54 0.00 1.95 1.91 0.00 3.17 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 18 V 8.30 3.93 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 0.84 0.00 0.00 1.02 0.00 0.00 19 H 8.35 4.53 0.00 3.21 3.43 0.00 5.74 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.19 4.11 0.00 2.28 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 0.00 2.26 2.27 0.00 21 L 7.75 3.68 0.00 1.85 1.95 1.12 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.20 4.05 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.43 2.74 0.00 0.90 1.67 0.00 3.07 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.13 0.00 24 V 6.81 3.25 1.09 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 0.08 0.00 0.00 0.58 0.00 0.00 25 K 7.70 3.91 0.00 1.97 1.99 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.71 1.88 7.81 26 F 8.35 4.05 0.00 3.17 3.06 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 27 M 7.54 3.35 0.00 1.88 2.03 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 2.63 2.34 0.00 28 Q 8.33 3.88 0.00 2.22 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.18 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 29 D 8.48 4.27 0.00 2.82 2.71 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 0.00 0.00 0.00 0.00 30 V 7.55 3.42 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 0.73 0.00 0.00 -0.35 0.00 0.00 31 V 7.62 3.78 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 1.12 0.00 0.00 1.20 0.00 0.00 32 N 8.38 4.52 0.00 2.75 2.86 0.00 0.00 6.99 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 33 S 7.49 4.73 0.00 4.01 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 34 D 8.44 4.63 0.00 2.68 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 35 T 7.44 4.01 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 36 F 8.18 4.89 0.00 3.36 3.28 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 0.00 37 K 7.46 4.25 0.00 1.91 1.86 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.51 7.81 38 G 8.09 3.63 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 0.00 0.00 0.00 39 Q 8.04 4.39 0.00 2.05 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.95 0.00 0.00 0.00 0.00 0.00 2.51 2.79 0.00 40 P 0.00 4.35 0.00 2.12 2.12 0.00 3.56 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 1.89 1.93 0.00 41 I 7.09 4.61 1.81 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 1.29 0.93 1.01 0.00 0.00 42 F 8.68 5.18 0.00 3.09 2.96 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 43 D 8.41 5.54 0.00 2.72 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 44 H 9.30 5.01 0.00 3.20 3.56 0.00 5.91 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 45 A 8.54 3.99 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 46 H 8.97 3.95 0.00 3.30 2.91 0.00 5.64 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.73 3.86 4.49 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 0.00 0.00 0.00 1.27 0.00 0.00 48 R 8.03 3.90 0.00 2.11 1.93 0.00 3.38 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 49 E 7.90 3.75 0.00 1.96 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 1.80 2.19 0.00 50 F 8.07 4.71 0.00 3.08 3.13 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 51 I 8.42 3.70 1.83 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.45 0.00 0.00 52 Q 8.26 3.57 0.00 1.89 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.66 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 53 S 7.84 3.95 0.00 4.01 3.84 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 0.00 0.00 0.00 54 F 7.90 3.94 0.00 2.84 3.17 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 55 I 7.47 3.66 1.58 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 1.13 0.65 0.76 0.00 0.00 56 E 8.54 4.31 0.00 1.96 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 2.23 2.09 0.00 57 R 7.67 3.76 0.00 1.89 1.80 0.00 2.91 0.00 0.00 3.10 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 58 D 7.88 4.28 0.00 2.87 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 59 D 8.25 4.35 0.00 2.75 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 60 T 7.66 3.85 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 1.19 0.00 0.00 61 E 7.86 4.08 0.00 1.93 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 2.27 2.28 0.00 62 L 8.42 3.97 0.00 1.83 1.78 0.93 1.33 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 63 D 8.47 4.29 0.00 2.86 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 64 E 8.05 4.01 0.00 2.16 1.97 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 2.32 2.34 0.00 65 L 7.72 4.04 0.00 1.85 1.70 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.04 4.04 0.00 1.87 1.87 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.64 7.81 67 K 8.04 4.10 0.00 1.95 1.94 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 68 K 8.02 4.33 0.00 1.85 1.82 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.56 7.81 69 R 7.68 3.93 0.00 1.89 2.15 0.00 3.08 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 70 R 7.76 4.22 0.00 1.96 1.96 0.00 3.21 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 71 S 7.91 4.38 0.00 4.03 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 72 N 8.19 4.34 0.00 2.88 2.92 0.00 0.00 6.80 6.95 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 73 R 7.56 4.57 0.00 1.74 1.75 0.00 3.28 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 74 P 0.00 4.64 0.00 2.21 2.01 0.00 3.81 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 1.94 1.97 0.00 75 P 0.00 4.50 0.00 2.27 2.05 0.00 3.79 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 2.10 2.09 0.00 76 S 8.61 4.09 0.00 3.85 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 77 N 8.17 4.53 0.00 2.75 2.78 0.00 0.00 7.20 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 78 R 7.83 3.93 0.00 1.89 1.95 0.00 3.17 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 79 Q 8.27 3.92 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 80 V 7.63 3.68 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 1.13 0.00 0.00 0.97 0.00 0.00 81 L 8.08 4.18 0.00 1.87 1.79 0.96 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.18 3.92 0.00 1.83 1.68 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 7.75 4.04 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 84 Q 8.23 4.04 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 85 R 7.90 3.96 0.00 1.88 1.98 0.00 3.07 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 86 R 7.52 3.82 0.00 2.17 2.16 0.00 3.13 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 87 D 7.87 4.33 0.00 2.81 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 88 Q 7.94 3.96 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.60 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 89 E 8.60 4.14 0.00 2.14 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 2.37 2.58 0.00 90 L 8.60 4.10 0.00 1.83 1.78 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.89 4.10 0.00 1.99 2.06 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.46 7.81 92 E 8.50 4.20 0.00 2.26 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 2.56 2.44 0.00 93 F 8.58 4.50 0.00 2.64 3.12 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 94 K 8.74 4.24 0.00 1.86 2.04 0.00 1.68 0.00 0.00 1.56 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.25 7.81 95 A 7.51 4.82 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 96 G 7.85 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.13 4.49 0.00 3.52 3.21 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 0.00 0.00 0.00 0.00 98 L 7.86 4.68 0.00 1.48 1.26 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 99 C 9.01 4.93 0.00 3.14 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 0.00 100 P 0.00 5.27 0.00 1.96 1.93 0.00 3.74 0.00 0.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.83 0.00 101 D 8.76 4.26 0.00 2.91 2.95 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 0.00 102 L 8.23 3.93 0.00 2.13 1.93 0.94 1.03 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 0.00 103 S 7.86 4.90 0.00 4.09 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 0.00 104 D 8.67 4.83 0.00 2.83 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.61 4.27 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 0.00 106 K 8.10 4.00 0.00 1.90 1.92 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.57 7.81 107 N 9.27 4.27 0.00 2.76 3.01 0.00 0.00 7.64 7.46 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 0.00 108 M 8.60 4.36 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.99 0.00 109 E 7.89 4.06 0.00 2.16 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 0.00 2.30 2.35 0.00 110 F 8.74 4.11 0.00 3.29 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 0.00 111 L 8.48 4.04 0.00 1.76 1.89 0.86 0.96 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 0.00 112 R 7.90 4.14 0.00 2.00 2.18 0.00 3.31 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.96 0.00 113 N 7.55 5.08 0.00 2.63 2.70 0.00 0.00 6.69 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 0.00 114 W 8.06 4.31 0.00 3.19 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 0.00 115 N 8.18 4.50 0.00 2.53 2.60 0.00 0.00 7.10 7.58 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 0.00 116 G 5.56 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 0.00 0.00 0.00 0.00 0.00 0.00 117 T 6.01 4.28 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 1.28 0.00 0.00 118 F 8.92 4.43 0.00 3.10 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 0.00 119 G 8.29 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 0.00 0.00 0.00 120 L 7.61 4.68 0.00 1.75 2.02 1.07 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.82 4.36 0.00 1.94 1.73 1.05 0.80 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 0.00 122 N 8.02 4.79 0.00 2.74 2.96 0.00 0.00 7.13 7.88 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 0.00 123 T 7.67 4.18 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 1.33 0.00 0.00 124 L 6.88 4.32 0.00 1.60 1.59 0.85 1.47 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 0.00 125 R 8.59 4.26 0.00 1.83 1.89 0.00 3.04 0.00 0.00 3.36 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 126 L 7.68 5.07 0.00 1.51 1.51 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 127 I 8.67 4.68 1.87 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 1.30 0.72 0.90 0.00 0.00 128 R 8.41 4.92 0.00 1.93 1.90 0.00 3.06 0.00 0.00 3.33 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 129 I 9.04 4.96 1.98 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.79 0.97 0.00 0.00 130 N 8.84 4.40 0.00 2.66 2.50 0.00 0.00 6.45 8.03 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 0.00 131 D 7.75 4.43 0.00 2.66 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 0.00 0.00 0.00 0.00 132 K 8.93 4.47 0.00 1.79 1.82 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.37 7.81 133 G 8.29 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.52 4.30 0.00 2.07 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 2.26 2.28 0.00 135 Q 8.63 4.38 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.64 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 136 V 8.46 4.17 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 0.75 0.00 0.00 0.99 0.00 0.00 137 V 8.27 4.56 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 0.87 0.00 0.00 0.93 0.00 0.00 138 G 8.54 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 0.00 139 G 7.54 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 N 8.22 4.91 0.00 2.67 2.81 0.00 0.00 6.91 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 0.00 141 E 7.81 4.20 0.00 1.87 1.74 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 2.19 2.30 0.00