NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4418 8.2893 120.3515 54.8629 33.4662 174.1145 2 E 5.3091 7.4831 121.2593 55.5568 31.0414 174.5372 3 A 4.5447 8.5611 125.0704 50.2148 22.0234 177.4471 4 K 4.7327 8.8613 121.4417 54.7561 34.1154 174.9190 5 A 4.3629 8.2416 120.3195 50.9534 20.5302 174.9397 6 I 2.9115 7.8643 119.6131 61.4110 35.3310 174.0052 7 A 4.4390 8.3845 128.1453 50.1182 19.7183 175.6665 8 R 3.8816 8.1092 120.2482 57.0895 31.6047 176.3724 9 Y 3.9437 8.1940 114.5067 58.4156 35.1749 171.2794 10 V 3.4314 8.6338 121.9152 65.3462 32.6248 175.9670 11 R 3.9783 8.8121 117.2379 54.9409 26.8641 173.9146 12 I 4.0041 6.7044 114.3499 59.6707 41.2299 173.4773 13 S 4.1817 8.1942 122.0116 57.7117 62.6283 172.1865 14 P 4.4183 0.0000 0.0000 65.1333 30.7639 179.0659 15 R 3.8631 7.7114 117.0168 59.4144 30.6193 178.5090 16 K 4.0896 7.7528 118.1828 59.9099 32.1720 179.7778 17 V 3.8174 7.7996 111.6749 63.9307 31.6857 178.4393 18 R 4.0172 8.3018 118.4038 59.6966 29.6412 178.4041 19 L 3.9782 7.3483 116.9049 58.0735 42.0227 179.4809 20 V 3.7855 7.8085 111.4897 64.5270 31.4948 178.6305 21 V 3.5668 8.3134 118.1795 66.2602 31.2974 177.7377 22 D 4.4703 8.3515 117.4224 56.5946 40.8468 177.9686 23 L 4.3039 7.6112 119.7594 56.1892 42.3118 176.6170 24 I 4.5528 8.1353 109.0235 60.0452 39.0287 175.3303 25 R 3.6704 8.3002 121.5089 58.2886 30.2296 175.9453 26 G 4.5314 8.6899 113.8908 45.7553 0.0000 171.8065 27 K 4.7224 7.4072 120.3005 53.8867 37.0693 175.9271 28 S 4.4824 8.6460 115.8694 58.6113 64.1395 174.7633 29 L 3.9294 8.4368 127.5184 58.4713 41.6079 178.6732 30 E 3.9205 8.3529 118.5227 59.4500 29.2867 178.4504 31 E 4.2590 8.2686 119.7245 58.6455 29.8775 178.0757 32 A 4.0037 8.0322 120.9139 55.7201 18.2526 179.2702 33 R 3.8387 7.9554 115.9331 59.8963 30.2228 178.5727 34 N 4.3503 7.8419 115.3730 57.5231 38.6889 176.7828 35 I 3.4329 8.3745 117.8109 65.0938 37.1406 177.5885 36 L 3.8873 8.2116 121.3709 57.8023 41.8887 179.5642 37 R 3.8043 7.9201 117.4621 58.7958 29.7659 176.4089 38 Y 4.7617 8.5204 115.1156 57.7540 39.0382 174.9514 39 T 4.3596 7.8979 118.1647 62.1507 69.2165 174.1239 40 N 4.8218 8.6115 126.1770 52.7461 37.6159 173.5020 41 K 4.4143 7.8022 122.5309 55.7810 36.1331 175.4536 42 R 4.1951 8.4445 119.0603 58.4224 30.9697 178.1269 43 G 4.0154 8.5430 104.3017 48.8108 0.0000 174.2468 44 A 3.6236 8.3761 117.7325 55.4612 18.1154 178.2123 45 Y 3.3861 7.2121 121.9313 60.0305 39.6452 178.6199 46 F 4.5062 7.6815 118.0889 59.9087 39.6018 177.8559 47 V 3.6671 8.6818 117.9494 65.5207 31.3700 177.6242 48 A 4.0348 9.6922 120.4416 54.2880 17.5670 180.3733 49 K 4.2429 7.6869 118.6441 57.3422 34.7336 176.5521 50 V 3.4956 8.0588 118.5808 65.3512 31.0230 177.7161 51 L 3.9413 8.3631 121.1066 57.5843 42.0612 179.2574 52 E 3.9186 8.2004 119.0346 59.1939 29.4940 178.7945 53 S 4.0672 8.4902 113.5261 61.1253 62.4876 175.6114 54 A 3.9524 8.1189 122.8837 55.9077 17.7391 178.4855 55 A 3.8862 7.8932 117.2021 55.6296 18.5564 179.6342 56 A 3.5991 8.4507 114.5018 54.9585 18.7816 179.3143 57 N 4.0756 9.1598 112.7668 56.4948 38.5984 177.4929 58 A 3.9213 8.6023 121.9893 54.5005 18.7558 178.9571 59 V 3.5978 8.7940 117.1142 64.5135 30.6666 178.4430 60 N 3.9930 8.1356 115.0301 56.4336 40.6776 173.1721 61 N 4.6638 8.4964 116.4613 54.3599 39.8147 175.5738 62 H 4.7334 8.1539 112.2445 54.8716 29.7270 174.4002 63 D 4.3153 7.6766 114.5889 54.8610 37.7047 172.8645 64 M 4.3170 8.1323 124.5505 54.6318 34.6990 172.3900 65 L 3.4804 7.3618 126.2006 54.6558 39.7529 174.4035 66 E 3.5854 7.8223 123.7919 58.7881 30.9133 178.8570 67 D 4.5264 7.8863 120.4591 57.4560 41.3878 178.5033 68 R 4.2971 8.3172 116.3632 56.4199 30.8531 175.9556 69 L 5.8333 8.4101 119.8362 54.6889 42.8972 175.2790 70 Y 4.8070 8.5271 118.1716 56.7210 41.7364 174.7984 71 V 4.0310 8.3995 113.8740 60.8614 30.6779 177.0826 72 K 3.3155 7.6355 126.0333 58.0597 32.3385 175.4135 73 A 4.4950 7.7830 118.3287 51.6081 23.1091 174.2596 74 A 5.0461 7.9482 118.5565 51.9144 22.1581 174.9342 75 Y 4.8197 8.6800 117.1555 56.7505 41.9005 173.0111 76 V 4.8059 8.4188 118.1678 60.1123 34.4532 174.4519 77 D 5.0638 8.5248 122.3385 51.9970 44.5835 175.1058 78 E 4.1850 8.8586 122.1557 56.6369 30.5061 176.1188 79 G 4.2813 8.7195 113.7976 43.3520 0.0000 170.4920 80 P 4.4322 0.0000 0.0000 62.2706 31.7287 176.0600 81 A 4.3716 8.3895 125.1027 51.5912 19.8378 176.4484 82 L 4.4904 8.6155 120.7098 53.0797 43.2264 176.3561 83 K 4.7406 8.5574 124.0657 56.2629 33.1289 176.9442 84 R 4.7142 9.0998 122.1982 54.5224 34.8455 174.3992 85 V 4.4547 8.3735 122.1038 62.1462 33.0416 175.0163 86 L 4.6300 9.2805 130.0362 52.3754 44.5144 173.5751 87 P 4.4929 0.0000 0.0000 63.3924 31.8376 175.9344 88 R 4.7026 8.6123 124.5759 53.8552 32.9397 175.1723 89 A 4.1980 8.5769 126.4815 54.0504 18.7364 177.5794 90 R 3.7887 8.8838 119.0584 57.8331 27.4223 176.3477 91 G 4.0201 8.2074 101.4299 46.7066 0.0000 175.7101 92 R 3.7789 8.1475 119.8300 57.9222 30.5858 173.0435 93 A 3.8336 8.1718 126.5378 51.9250 18.2057 175.7032 94 D 5.1557 8.8702 121.7108 52.5629 45.5899 175.2138 95 I 4.7351 8.1836 113.3987 59.4353 38.8084 175.0066 96 I 4.0820 9.2238 129.6207 60.2444 39.5538 174.8793 97 K 4.8029 8.4551 128.2671 54.6344 33.1442 176.5075 98 K 4.2214 9.0834 126.6674 55.9693 31.7474 177.4217 99 R 4.5653 8.2912 124.1696 56.4043 31.4164 175.6013 100 T 4.7176 8.0798 110.6852 60.9105 71.2833 172.5827 101 S 5.0027 8.6837 121.5132 57.1982 67.4647 172.7746 102 H 4.8660 8.9703 120.0414 54.0712 29.8513 171.8072 103 I 4.2486 8.1553 122.7415 60.8501 38.2280 174.7321 104 T 4.9207 8.4800 124.6233 61.7701 70.8430 174.1955 105 V 4.8805 8.1804 124.3339 61.3266 35.5221 173.3515 106 I 4.9867 8.9929 121.5813 59.0747 40.0196 175.5076 107 L 4.9169 8.2388 127.7888 53.9880 43.5713 175.7521 108 G 4.1580 7.9551 104.8071 45.8775 0.0000 172.2172 109 E 4.6482 8.8158 120.0532 55.3342 30.1307 176.4618 110 K 3.5982 9.5984 127.6929 57.8327 32.8423 177.7490 111 H 4.8003 7.0823 114.5114 54.9703 31.6568 173.7433 112 G 4.0927 7.9901 104.6829 45.9854 0.0000 174.2921 113 K 4.2030 8.4746 126.3883 54.5876 32.1504 175.8598 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 8.29 4.44 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.62 0.00 2 E 7.48 5.31 0.00 2.13 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 2.01 2.35 0.00 3 A 8.56 4.54 1.14 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 4 K 8.86 4.73 0.00 1.64 1.75 0.00 1.78 0.00 0.00 1.39 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.26 7.81 5 A 8.24 4.36 1.20 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 0.00 0.00 6 I 7.86 2.91 1.78 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 1.29 0.44 0.74 0.00 0.00 7 A 8.38 4.44 1.18 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 0.00 0.00 8 R 8.11 3.88 0.00 1.21 0.83 0.00 2.82 0.00 0.00 2.35 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.30 0.00 9 Y 8.19 3.94 0.00 3.08 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 10 V 8.63 3.43 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 -0.12 0.00 0.00 0.89 0.00 0.00 11 R 8.81 3.98 0.00 1.83 2.19 0.00 3.49 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.49 0.00 12 I 6.70 4.00 1.83 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.79 0.79 0.00 0.00 13 S 8.19 4.18 0.00 3.90 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.42 0.00 2.18 2.02 0.00 3.95 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 2.43 2.02 0.00 15 R 7.71 3.86 0.00 1.79 2.02 0.00 3.23 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 1.66 1.78 0.00 16 K 7.75 4.09 0.00 1.98 1.91 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.51 7.81 17 V 7.80 3.82 2.14 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 0.88 0.00 0.00 0.97 0.00 0.00 18 R 8.30 4.02 0.00 1.99 2.05 0.00 3.15 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.83 0.00 19 L 7.35 3.98 0.00 2.01 1.74 0.94 0.93 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 20 V 7.81 3.79 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 0.96 0.00 0.00 1.01 0.00 0.00 21 V 8.31 3.57 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 1.08 0.00 0.00 0.97 0.00 0.00 22 D 8.35 4.47 0.00 2.66 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 23 L 7.61 4.30 0.00 1.85 1.84 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.14 4.55 1.89 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 1.20 1.00 0.93 0.00 0.00 25 R 8.30 3.67 0.00 1.80 1.94 0.00 3.39 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 26 G 8.69 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 0.00 0.00 0.00 0.00 27 K 7.41 4.72 0.00 1.93 1.71 0.00 1.71 0.00 0.00 1.90 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.66 7.81 28 S 8.65 4.48 0.00 4.09 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.44 3.93 0.00 1.86 1.76 0.93 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.35 3.92 0.00 2.09 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 0.00 2.41 2.41 0.00 31 E 8.27 4.26 0.00 2.08 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 0.00 2.34 2.21 0.00 32 A 8.03 4.00 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 33 R 7.96 3.84 0.00 2.05 2.01 0.00 3.16 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.01 0.00 34 N 7.84 4.35 0.00 2.90 3.01 0.00 0.00 7.11 6.80 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 35 I 8.37 3.43 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.09 0.95 0.00 0.00 36 L 8.21 3.89 0.00 1.67 1.74 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.92 3.80 0.00 1.75 2.11 0.00 2.83 0.00 0.00 3.00 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.50 0.00 38 Y 8.52 4.76 0.00 2.93 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 39 T 7.90 4.36 4.27 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 1.24 0.00 0.00 40 N 8.61 4.82 0.00 2.70 2.78 0.00 0.00 7.07 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.80 4.41 0.00 1.76 1.70 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.35 7.81 42 R 8.44 4.20 0.00 1.86 1.99 0.00 3.30 0.00 0.00 3.54 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 43 G 8.54 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 44 A 8.38 3.62 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 45 Y 7.21 3.39 0.00 2.58 2.74 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 46 F 7.68 4.51 0.00 3.31 2.93 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 47 V 8.68 3.67 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 1.02 0.00 0.00 0.98 0.00 0.00 48 A 9.69 4.03 1.14 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 49 K 7.69 4.24 0.00 1.42 1.71 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.34 1.45 7.81 50 V 8.06 3.50 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 1.03 0.00 0.00 0.91 0.00 0.00 51 L 8.36 3.94 0.00 1.71 2.12 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.20 3.92 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 2.28 2.34 0.00 53 S 8.49 4.07 0.00 3.86 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.12 3.95 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 55 A 7.89 3.89 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 56 A 8.45 3.60 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 57 N 9.16 4.08 0.00 2.93 2.94 0.00 0.00 7.04 7.24 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 58 A 8.60 3.92 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 8.79 3.60 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.94 0.00 0.00 60 N 8.14 3.99 0.00 2.77 2.80 0.00 0.00 6.84 7.79 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 61 N 8.50 4.66 0.00 2.93 2.71 0.00 0.00 6.89 8.04 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 62 H 8.15 4.73 0.00 3.19 3.29 0.00 5.99 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.68 4.32 0.00 2.88 2.84 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 64 M 8.13 4.32 0.00 2.03 2.23 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.45 0.00 65 L 7.36 3.48 0.00 1.86 1.74 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.82 3.59 0.00 2.06 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 0.00 2.39 2.41 0.00 67 D 7.89 4.53 0.00 2.71 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 68 R 8.32 4.30 0.00 1.88 1.94 0.00 3.08 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 69 L 8.41 5.83 0.00 1.84 1.90 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 8.53 4.81 0.00 3.26 2.91 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 0.00 0.00 0.00 71 V 8.40 4.03 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 0.91 0.00 0.00 0.95 0.00 0.00 72 K 7.64 3.32 0.00 1.53 1.88 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.43 7.81 73 A 7.78 4.49 1.03 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 74 A 7.95 5.05 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 75 Y 8.68 4.82 0.00 2.99 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 8.42 4.81 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 0.92 0.00 0.00 77 D 8.52 5.06 0.00 2.50 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 78 E 8.86 4.19 0.00 1.94 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 0.00 2.27 2.35 0.00 79 G 8.72 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 0.00 0.00 0.00 0.00 80 P 0.00 4.43 0.00 2.10 2.05 0.00 3.90 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 81 A 8.39 4.37 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 82 L 8.62 4.49 0.00 1.61 1.58 0.91 1.25 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 83 K 8.56 4.74 0.00 1.63 1.72 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.45 7.81 84 R 9.10 4.71 0.00 1.62 1.73 0.00 3.26 0.00 0.00 3.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 85 V 8.37 4.45 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 0.74 0.00 0.00 0.92 0.00 0.00 86 L 9.28 4.63 0.00 1.69 1.49 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.49 0.00 1.97 2.01 0.00 3.70 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 88 R 8.61 4.70 0.00 1.98 1.75 0.00 3.25 0.00 0.00 3.34 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.66 0.00 89 A 8.58 4.20 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 90 R 8.88 3.79 0.00 1.98 2.06 0.00 3.36 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 91 G 8.21 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 92 R 8.15 3.78 0.00 1.98 1.95 0.00 3.42 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 1.64 1.57 0.00 93 A 8.17 3.83 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 94 D 8.87 5.16 0.00 2.58 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 95 I 8.18 4.74 1.86 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 0.62 0.90 0.00 0.00 96 I 9.22 4.08 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 1.22 1.40 0.94 0.00 0.00 97 K 8.46 4.80 0.00 1.65 1.74 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.43 7.81 98 K 9.08 4.22 0.00 1.74 1.77 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.56 7.81 99 R 8.29 4.57 0.00 1.68 2.03 0.00 3.54 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.57 0.00 100 T 8.08 4.72 4.21 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 1.32 0.00 0.00 101 S 8.68 5.00 0.00 3.68 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 0.00 102 H 8.97 4.87 0.00 3.05 3.00 0.00 5.63 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.16 4.25 1.82 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 1.19 0.59 0.90 0.00 0.00 104 T 8.48 4.92 3.71 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 1.31 0.00 0.00 105 V 8.18 4.88 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 0.99 0.00 0.00 0.95 0.00 0.00 106 I 8.99 4.99 1.81 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 1.29 0.54 0.94 0.00 0.00 107 L 8.24 4.92 0.00 1.61 1.61 0.86 0.87 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 0.00 108 G 7.96 4.16 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 0.00 0.00 0.00 109 E 8.82 4.65 0.00 1.92 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 2.32 2.34 0.00 110 K 9.60 3.60 0.00 1.57 1.69 0.00 0.91 0.00 0.00 0.77 0.00 0.00 2.88 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.28 1.31 7.81 111 H 7.08 4.80 0.00 3.22 3.15 0.00 5.63 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.99 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 0.00 0.00 0.00 113 K 8.47 4.20 0.00 1.77 1.56 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.27 0.97 7.81