NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.3154 8.1693 120.6292 54.7098 43.0453 175.9539 4 S 4.5512 8.5091 118.2261 56.7673 64.7151 172.3528 5 L 4.6455 8.8439 122.1753 54.7614 42.9876 178.0884 6 N 4.5735 7.5702 114.6168 53.8429 39.3842 174.5923 7 N 4.2262 8.6147 114.1320 54.3121 36.0853 175.0637 8 L 4.3034 7.9812 117.6016 54.7496 42.6377 176.7066 9 Q 4.5858 8.8521 120.7483 54.7138 32.2190 173.9354 10 N 4.2485 8.7312 112.1270 54.4145 36.0158 175.0719 11 I 4.1731 7.6722 117.3294 61.0237 38.5590 176.6768 12 I 4.4118 8.2606 127.8161 59.6970 39.5011 174.1579 13 Y 4.8884 8.6098 124.1769 56.8070 39.8763 175.4394 14 N 4.4726 9.1682 119.9517 52.1298 36.9741 173.1834 15 P 4.4006 0.0000 0.0000 62.6000 32.2421 176.4353 16 V 3.7695 8.3541 120.4003 62.9616 32.1185 175.1640 17 I 4.6609 8.0874 127.6373 58.5813 39.0670 173.6489 18 P 4.7780 0.0000 0.0000 62.9424 32.1648 175.2484 19 F 4.9291 9.0921 125.0107 56.4414 42.3211 174.2056 20 V 4.4980 7.5432 124.6173 61.2341 34.1552 174.3844 21 G 4.0761 8.7805 114.6459 44.5012 0.0000 171.4096 22 T 4.6969 8.4482 119.6058 63.1058 69.1816 174.3817 23 I 3.7485 8.8284 127.8033 60.3009 37.7505 175.6363 24 P 3.8545 0.0000 0.0000 64.6119 31.4891 175.1566 25 D 4.2453 6.6984 115.6843 52.2174 44.2950 174.0851 26 Q 4.1196 8.0269 122.6299 56.0872 29.7928 176.5788 27 L 4.6833 8.0882 125.0760 53.0610 40.5109 176.1687 28 D 4.6528 7.7864 121.8476 52.6460 42.2297 174.4183 29 P 4.5896 0.0000 0.0000 64.7911 31.5269 177.3076 30 G 3.9940 9.4507 111.5720 45.3487 0.0000 173.7160 31 T 4.4373 7.8169 110.6464 61.4909 70.4353 173.6960 32 L 5.1096 8.3788 122.3511 53.0866 45.5918 175.3361 33 I 4.5693 8.6000 123.0325 59.4375 40.0176 174.6283 34 V 4.6881 8.5401 127.4890 61.0837 34.0799 174.1866 35 I 4.8158 8.8837 129.1570 59.6545 40.2517 174.6668 36 R 5.0319 8.6049 126.7359 54.3497 32.9954 176.6421 37 G 3.4166 7.4935 109.1061 46.4456 0.0000 171.2482 38 H 4.6905 7.5879 113.8057 54.4499 32.6058 172.5265 39 V 4.4700 8.3576 119.2769 60.4920 33.6530 173.6206 40 P 4.8729 0.0000 0.0000 62.2791 32.3847 177.3715 41 S 4.1404 8.7536 114.4469 60.5574 62.9942 174.6727 42 D 4.6968 7.9020 118.2114 52.6958 39.5584 175.8649 43 A 4.2709 7.5612 123.0652 52.3770 19.2121 177.4895 44 D 5.1594 8.2591 120.0873 54.5647 43.6110 175.8987 45 R 5.3994 8.1292 112.8960 56.7085 32.4280 173.1997 46 F 5.4311 7.9327 114.1467 56.1423 41.7757 172.5255 47 Q 4.5749 9.4247 116.0844 54.5040 32.3964 173.8557 48 V 4.8228 8.6210 120.9626 61.3111 34.0691 173.7946 49 D 5.3940 9.4174 128.0442 52.5833 43.9548 174.9742 50 L 4.8878 9.1246 124.8095 53.7111 43.2355 175.8237 51 Q 5.0955 9.3966 123.2279 54.1132 32.9075 174.8797 52 N 4.9667 9.0705 121.8430 53.1457 38.2939 175.6602 53 G 3.9005 9.6210 115.4027 44.5821 0.0000 171.5371 54 S 4.6901 8.2382 111.3637 57.5859 63.8359 174.0349 55 S 4.1545 8.0305 115.7228 59.2670 62.6850 174.4769 56 V 3.8577 8.4520 125.1977 63.6531 32.5855 175.3311 57 K 4.5193 7.6596 120.3063 53.5044 33.9654 173.7686 58 P 4.4275 0.0000 0.0000 62.1870 32.0325 176.0029 59 R 4.1182 8.4028 119.5561 55.1865 30.5153 176.2849 60 A 4.1479 8.2181 127.4259 52.0662 19.1365 177.1045 61 D 4.3800 8.7891 121.4031 54.6788 42.5124 175.7542 62 V 4.5421 8.3147 122.7806 61.2015 32.5433 175.8896 63 A 4.2531 8.8823 131.4270 54.6578 19.2144 177.4071 64 F 4.8353 8.1899 118.4050 57.1955 42.7542 172.7012 65 H 5.2938 9.0680 127.3796 53.6122 31.8457 172.9116 66 F 4.2434 8.5485 128.8444 56.2873 41.6929 173.2636 67 N 4.8340 7.7093 125.2748 49.3236 40.2080 170.6370 68 P 4.0361 0.0000 0.0000 61.7240 32.8406 175.2088 69 R 4.8392 8.4349 122.7237 54.5433 33.3174 176.0276 70 F 4.7090 9.1619 120.5052 56.9770 40.8027 176.3138 71 K 3.9190 8.2328 121.2003 58.0623 33.4140 175.7846 72 R 3.5342 8.3029 124.4586 57.7497 29.0564 179.0270 73 A 4.0634 8.8093 129.9393 53.8567 18.5047 179.0062 74 G 4.0113 9.5977 100.3351 45.8583 0.0000 171.7328 75 C 4.6506 7.9993 112.6075 57.4973 33.7992 172.5216 76 I 4.4179 8.4420 119.5650 59.2696 40.1239 174.9990 77 V 4.4875 8.0404 127.2115 61.2515 33.5960 174.1695 78 C 5.5913 8.5527 124.8843 57.4738 31.8769 172.5436 79 N 5.2468 7.8887 118.7478 54.4889 42.5462 172.5589 80 T 5.3660 8.8270 115.4564 61.7532 73.3843 172.9026 81 L 4.7163 8.9036 127.3700 53.1565 44.6001 175.0672 82 I 4.8284 8.2076 126.4087 59.9995 40.8311 175.5580 83 N 3.9581 9.6429 124.5752 54.6048 36.5202 174.6733 84 E 3.6901 8.1618 111.1560 56.6385 27.6397 174.7672 85 K 4.5251 7.5898 118.5944 54.0247 35.2357 175.8342 86 W 4.7146 8.7033 123.8578 56.9936 29.8751 177.0807 87 G 4.1352 8.8678 111.1358 45.6653 0.0000 172.0360 88 R 4.5864 8.5813 121.2192 55.3192 30.6902 177.4391 89 E 4.4344 8.9310 124.7470 56.6266 30.8872 175.9656 90 E 4.6475 9.5845 121.8127 55.0098 31.6878 174.8358 91 I 4.5339 8.2906 125.7487 59.8728 39.1779 175.2163 92 T 4.3815 8.5932 123.9473 62.1769 69.9937 175.0396 93 Y 4.2445 8.5585 123.7527 59.2655 38.7842 175.4301 94 D 4.5884 7.9875 118.8154 53.3143 40.0018 174.1171 95 T 4.6096 8.0792 119.5335 59.3262 69.5937 172.1921 96 P 4.5192 0.0000 0.0000 63.1990 32.2060 176.1084 97 F 4.6083 7.6347 118.7086 57.4619 39.6922 174.9796 98 K 5.0603 8.7589 122.5988 54.4008 36.1345 176.0390 99 R 3.9244 8.7905 120.8089 57.9785 30.3330 176.9956 100 E 3.8410 9.2382 120.6283 56.4917 27.9635 173.8889 101 K 4.5510 7.8456 120.4117 54.5557 33.7632 176.2423 102 S 4.5126 8.4390 122.1308 58.1802 64.0244 173.2774 103 F 5.1487 8.3076 117.1733 55.2257 41.6710 173.4498 104 E 5.0410 9.8067 122.9435 54.7024 31.3406 174.3776 105 I 4.5631 9.1505 129.6753 60.5276 38.7995 175.2680 106 V 4.6112 9.0202 128.2751 61.2757 33.7129 174.4528 107 I 4.6350 8.7188 130.7381 60.2029 38.6973 174.4326 108 M 4.8733 9.1934 128.6633 53.8766 34.2918 174.7614 109 V 4.2996 8.4873 126.6869 61.9673 33.0201 175.3181 110 L 4.8702 8.4652 127.9967 52.1723 44.4577 177.4971 111 K 4.0378 8.6382 118.5748 59.3850 32.5423 177.3929 112 D 4.8223 7.6629 116.4193 52.5854 40.9188 174.8719 113 K 4.2350 7.0316 118.2005 56.1830 36.5176 174.1222 114 F 4.9549 8.9436 120.0759 56.3948 40.9936 174.8008 115 Q 5.0473 9.1547 124.6379 54.3651 31.3529 174.0817 116 V 4.9644 9.0366 126.7868 61.0747 34.1446 174.1094 117 A 5.2215 8.9544 129.0222 50.0739 22.8325 174.8501 118 V 4.6905 8.3771 119.6169 61.4339 34.6003 175.6389 119 N 4.4627 9.7551 126.6536 54.5600 36.4939 175.2978 120 G 3.9561 8.3556 102.2360 45.5935 0.0000 173.4476 121 K 4.5963 7.6308 118.7655 53.9714 34.9162 175.3463 122 H 4.4162 8.9088 122.9525 57.2220 30.4786 173.6418 123 T 4.5704 8.2807 122.0950 64.3300 70.3661 174.1437 124 L 4.5188 7.2183 118.3866 55.1285 43.4805 172.9343 125 L 5.4237 8.6242 118.8904 53.3897 44.9551 175.8997 126 Y 4.6176 8.8806 122.7701 56.1955 41.9861 174.4568 127 G 3.7360 8.3128 114.5585 45.8904 0.0000 172.8242 128 H 4.6033 8.4250 121.1864 55.9850 29.1823 175.8120 129 R 4.5908 8.8401 121.1443 56.0008 32.1786 176.1413 130 I 4.6591 7.6479 117.0842 58.5639 40.6654 175.4110 131 G 3.7928 8.8456 111.8935 44.6371 0.0000 172.9187 132 P 4.4199 0.0000 0.0000 64.9416 31.7634 178.1977 133 E 4.0838 8.1266 117.1116 58.6614 29.6075 178.6234 134 K 4.2137 7.8452 118.0957 57.9053 32.5069 177.1336 135 I 4.2450 7.4599 121.1331 61.3283 37.3990 175.2446 136 D 4.9530 9.1172 122.4009 53.0567 41.9280 174.9299 137 T 5.1463 7.9071 115.5489 62.0324 73.2696 172.1698 138 L 5.2286 9.4431 127.9994 53.2961 44.8335 175.1153 139 G 4.4920 9.2712 113.6277 43.6107 0.0000 172.0540 140 I 5.0709 8.0655 123.7388 59.5774 40.9370 174.0967 141 Y 5.0498 9.1648 123.9876 57.3254 42.6188 174.2091 142 G 3.8288 9.0889 106.6961 44.0788 0.0000 174.5863 143 K 4.4918 7.7502 118.8607 55.6008 30.4533 176.8331 144 V 4.2500 7.7634 122.0074 59.7913 34.8971 174.2038 145 N 4.6169 8.8049 122.9146 52.1900 40.2308 173.3711 146 I 4.3494 7.9420 128.1799 60.7586 38.4879 176.3520 147 H 4.4780 9.3945 128.7889 58.9128 30.7301 174.9930 148 S 4.8785 7.5448 110.4480 57.1882 66.3449 172.9393 149 I 4.6759 8.2763 121.7347 59.5528 40.5472 174.9027 150 G 4.2966 8.5256 112.3093 44.6997 0.0000 171.2720 151 F 5.1342 8.7470 118.2681 55.3170 43.5703 174.4214 152 S 5.0017 8.7063 117.4741 57.0666 63.4681 174.0892 153 F 4.9782 8.8660 125.1091 57.3088 40.4723 176.4187 154 S 4.4474 8.0840 121.2652 58.5535 63.0961 173.7486 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 3 L 8.17 4.32 0.00 1.66 1.69 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.51 4.55 0.00 4.05 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 5 L 8.84 4.65 0.00 1.63 1.69 0.96 1.02 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 6 N 7.57 4.57 0.00 2.74 2.75 0.00 0.00 6.85 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 7 N 8.61 4.23 0.00 2.86 2.93 0.00 0.00 6.99 7.85 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 8 L 7.98 4.30 0.00 1.61 1.55 0.86 0.85 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 9 Q 8.85 4.59 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.28 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 10 N 8.73 4.25 0.00 3.16 3.09 0.00 0.00 6.91 7.45 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 11 I 7.67 4.17 1.71 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 1.18 0.42 0.02 0.00 0.00 12 I 8.26 4.41 1.71 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.16 0.92 0.00 0.00 13 Y 8.61 4.89 0.00 2.87 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 14 N 9.17 4.47 0.00 2.82 2.86 0.00 0.00 6.97 8.01 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 15 P 0.00 4.40 0.00 2.06 1.86 0.00 3.89 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.54 0.00 16 V 8.35 3.77 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 0.87 0.00 0.00 0.98 0.00 0.00 17 I 8.09 4.66 1.89 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 1.45 1.14 1.03 0.00 0.00 18 P 0.00 4.78 0.00 2.35 2.36 0.00 3.78 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 2.09 2.08 0.00 19 F 9.09 4.93 0.00 3.25 2.79 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 0.00 0.00 0.00 0.00 20 V 7.54 4.50 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 0.85 0.00 0.00 1.11 0.00 0.00 21 G 8.78 4.08 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 0.00 22 T 8.45 4.70 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 1.23 0.00 0.00 23 I 8.83 3.75 1.86 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.95 0.86 0.00 0.00 24 P 0.00 3.85 0.00 1.95 2.04 0.00 2.92 0.00 0.00 2.99 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 25 D 6.70 4.25 0.00 1.58 1.54 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 26 Q 8.03 4.12 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.25 0.00 0.00 0.00 0.00 0.00 2.51 2.39 0.00 27 L 8.09 4.68 0.00 1.80 1.77 1.15 1.44 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 28 D 7.79 4.65 0.00 2.78 2.62 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 29 P 0.00 4.59 0.00 2.04 2.01 0.00 3.71 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 2.03 2.09 0.00 30 G 9.45 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 31 T 7.82 4.44 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 1.47 0.00 0.00 32 L 8.38 5.11 0.00 1.54 1.51 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 33 I 8.60 4.57 1.85 0.00 0.00 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 1.41 0.97 0.71 0.00 0.00 34 V 8.54 4.69 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 0.98 0.00 0.00 0.84 0.00 0.00 35 I 8.88 4.82 1.91 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.44 0.98 0.00 0.00 36 R 8.60 5.03 0.00 1.67 1.77 0.00 3.17 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.50 0.00 37 G 7.49 3.42 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 0.00 38 H 7.59 4.69 0.00 3.06 3.13 0.00 5.25 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.36 4.47 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 0.22 0.00 0.00 0.94 0.00 0.00 40 P 0.00 4.87 0.00 2.26 2.13 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.89 0.00 41 S 8.75 4.14 0.00 3.99 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 42 D 7.90 4.70 0.00 2.77 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 43 A 7.56 4.27 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 44 D 8.26 5.16 0.00 2.62 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 45 R 8.13 5.40 0.00 1.84 1.98 0.00 3.09 0.00 0.00 3.33 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.42 0.00 46 F 7.93 5.43 0.00 3.23 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 47 Q 9.42 4.57 0.00 1.91 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.79 0.00 0.00 0.00 0.00 0.00 2.63 2.60 0.00 48 V 8.62 4.82 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 1.02 0.00 0.00 1.07 0.00 0.00 49 D 9.42 5.39 0.00 2.84 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 50 L 9.12 4.89 0.00 1.68 1.75 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 51 Q 9.40 5.10 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.89 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 52 N 9.07 4.97 0.00 2.74 2.77 0.00 0.00 7.21 8.54 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 53 G 9.62 3.90 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 0.00 0.00 0.00 54 S 8.24 4.69 0.00 3.94 3.90 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 55 S 8.03 4.15 0.00 3.86 3.79 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 0.00 0.00 0.00 0.00 56 V 8.45 3.86 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 0.91 0.00 0.00 0.92 0.00 0.00 57 K 7.66 4.52 0.00 1.67 1.62 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.37 7.81 58 P 0.00 4.43 0.00 2.18 2.01 0.00 3.80 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 1.96 1.93 0.00 59 R 8.40 4.12 0.00 1.77 1.82 0.00 3.03 0.00 0.00 2.90 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.46 0.00 60 A 8.22 4.15 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 61 D 8.79 4.38 0.00 2.61 2.59 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 62 V 8.31 4.54 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 1.30 0.00 0.00 0.95 0.00 0.00 63 A 8.88 4.25 1.58 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 64 F 8.19 4.84 0.00 2.58 2.49 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 65 H 9.07 5.29 0.00 3.56 3.41 0.00 5.81 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.55 4.24 0.00 1.91 2.43 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 67 N 7.71 4.83 0.00 2.14 2.28 0.00 0.00 7.07 7.29 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 68 P 0.00 4.04 0.00 0.86 0.49 0.00 2.20 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.48 0.00 69 R 8.43 4.84 0.00 1.47 1.66 0.00 2.92 0.00 0.00 3.05 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.44 0.00 70 F 9.16 4.71 0.00 2.87 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 71 K 8.23 3.92 0.00 1.82 1.72 0.00 1.88 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.51 7.81 72 R 8.30 3.53 0.00 1.99 1.19 0.00 3.26 0.00 0.00 3.23 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 73 A 8.81 4.06 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 74 G 9.60 4.01 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 0.00 0.00 0.00 75 C 8.00 4.65 0.00 2.74 2.98 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 76 I 8.44 4.42 1.59 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.45 -0.03 0.00 0.00 77 V 8.04 4.49 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 0.76 0.00 0.00 0.69 0.00 0.00 78 C 8.55 5.59 0.00 3.00 2.45 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 79 N 7.89 5.25 0.00 2.67 2.66 0.00 0.00 7.43 7.22 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 80 T 8.83 5.37 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 1.45 0.00 0.00 81 L 8.90 4.72 0.00 0.27 0.71 -0.49 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.21 4.83 1.85 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.56 0.90 0.00 0.00 83 N 9.64 3.96 0.00 2.79 2.80 0.00 0.00 7.11 6.94 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 84 E 8.16 3.69 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 85 K 7.59 4.53 0.00 1.74 1.66 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.49 7.81 86 W 8.70 4.71 0.00 3.21 3.11 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 87 G 8.87 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 88 R 8.58 4.59 0.00 1.87 1.90 0.00 3.33 0.00 0.00 3.31 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.72 0.00 89 E 8.93 4.43 0.00 1.94 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 2.29 0.00 90 E 9.58 4.65 0.00 2.12 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 2.29 2.38 0.00 91 I 8.29 4.53 1.60 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 1.17 0.45 0.18 0.00 0.00 92 T 8.59 4.38 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 1.24 0.00 0.00 93 Y 8.56 4.24 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 4.59 0.00 2.66 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 95 T 8.08 4.61 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 1.23 0.00 0.00 96 P 0.00 4.52 0.00 1.98 2.02 0.00 3.69 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.73 0.00 97 F 7.63 4.61 0.00 2.85 3.09 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 98 K 8.76 5.06 0.00 1.91 1.78 0.00 1.74 0.00 0.00 1.89 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.56 7.81 99 R 8.79 3.92 0.00 1.81 1.82 0.00 3.31 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.68 0.00 100 E 9.24 3.84 0.00 2.09 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 2.22 2.22 0.00 101 K 7.85 4.55 0.00 1.81 2.05 0.00 1.86 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.43 7.81 102 S 8.44 4.51 0.00 3.83 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 0.00 103 F 8.31 5.15 0.00 3.12 3.19 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 0.00 104 E 9.81 5.04 0.00 2.02 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 2.21 2.25 0.00 105 I 9.15 4.56 2.02 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 1.34 0.84 0.64 0.00 0.00 106 V 9.02 4.61 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 1.03 0.00 0.00 0.92 0.00 0.00 107 I 8.72 4.63 1.88 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.35 1.00 0.00 0.00 108 M 9.19 4.87 0.00 2.07 1.94 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 2.53 2.48 0.00 109 V 8.49 4.30 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 0.79 0.00 0.00 1.19 0.00 0.00 110 L 8.47 4.87 0.00 1.74 1.51 0.90 0.98 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 0.00 111 K 8.64 4.04 0.00 1.84 1.93 0.00 1.51 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.40 7.81 112 D 7.66 4.82 0.00 2.75 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 0.00 113 K 7.03 4.24 0.00 1.79 1.76 0.00 1.27 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.19 1.31 7.81 114 F 8.94 4.95 0.00 2.46 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 0.00 115 Q 9.15 5.05 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 116 V 9.04 4.96 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 0.79 0.00 0.00 1.03 0.00 0.00 117 A 8.95 5.22 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 0.00 118 V 8.38 4.69 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 0.76 0.00 0.00 0.86 0.00 0.00 119 N 9.76 4.46 0.00 2.84 2.84 0.00 0.00 7.10 7.17 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 0.00 120 G 8.36 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 0.00 121 K 7.63 4.60 0.00 1.91 1.68 0.00 1.67 0.00 0.00 1.57 0.00 0.00 3.09 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.44 7.81 122 H 8.91 4.42 0.00 3.09 3.25 0.00 5.87 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 0.00 123 T 8.28 4.57 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 1.30 0.00 0.00 124 L 7.22 4.52 0.00 1.82 1.78 1.25 0.38 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 0.00 125 L 8.62 5.42 0.00 1.58 1.63 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 126 Y 8.88 4.62 0.00 3.20 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 0.00 127 G 8.31 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 0.00 0.00 0.00 128 H 8.43 4.60 0.00 3.12 3.39 0.00 5.62 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 R 8.84 4.59 0.00 1.94 2.04 0.00 3.34 0.00 0.00 3.31 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.79 0.00 130 I 7.65 4.66 1.99 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 1.41 0.72 0.96 0.00 0.00 131 G 8.85 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 P 0.00 4.42 0.00 2.15 1.95 0.00 3.58 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.59 0.00 133 E 8.13 4.08 0.00 2.13 2.25 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 2.36 2.27 0.00 134 K 7.85 4.21 0.00 1.96 1.93 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.42 7.81 135 I 7.46 4.24 2.13 0.00 0.00 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 1.51 0.60 1.11 0.00 0.00 136 D 9.12 4.95 0.00 2.74 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 0.00 137 T 7.91 5.15 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 1.30 0.00 0.00 138 L 9.44 5.23 0.00 1.94 1.81 1.05 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 139 G 9.27 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 0.00 0.00 0.00 0.00 140 I 8.07 5.07 1.82 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.84 0.93 0.00 0.00 141 Y 9.16 5.05 0.00 2.94 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 G 9.09 3.83 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 0.00 0.00 0.00 143 K 7.75 4.49 0.00 1.66 1.77 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.41 7.81 144 V 7.76 4.25 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 0.55 0.00 0.00 0.33 0.00 0.00 145 N 8.80 4.62 0.00 2.54 2.33 0.00 0.00 7.06 8.54 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 0.00 146 I 7.94 4.35 1.73 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 1.11 0.68 0.79 0.00 0.00 147 H 9.39 4.48 0.00 3.13 3.27 0.00 5.81 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 S 7.54 4.88 0.00 3.40 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 I 8.28 4.68 1.54 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.56 0.47 0.00 0.00 150 G 8.53 4.30 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 0.00 151 F 8.75 5.13 0.00 2.73 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 0.00 0.00 0.00 152 S 8.71 5.00 0.00 3.78 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 0.00 153 F 8.87 4.98 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 S 8.08 4.45 0.00 3.88 3.78 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