NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.4755 8.3644 120.3168 53.0137 40.4152 175.6776 4 L 3.9699 7.5522 120.8739 53.4208 42.7970 174.3148 5 T 4.5616 8.9939 117.3596 59.2081 74.3053 174.2142 6 I 3.6723 8.1295 121.2102 64.3837 36.8870 178.6316 7 S 3.9976 7.8154 113.8413 61.3447 62.3382 176.2647 8 S 4.0005 7.9492 116.9527 61.2618 62.4746 176.4577 9 L 3.6183 7.4058 121.7029 57.3899 41.3752 179.0525 10 A 3.3839 7.3669 119.6006 53.7814 18.1746 178.7708 11 K 4.3074 7.1569 114.6384 55.4609 33.6772 177.2808 12 G 3.7189 7.4122 109.2172 44.6652 0.0000 174.1821 13 E 3.8540 8.9538 124.8157 59.0190 29.7034 177.6573 14 T 4.5233 7.8432 105.2873 61.5012 68.8960 174.7390 15 T 4.6151 7.3950 111.8929 61.3664 70.8768 176.0933 16 K 4.0820 8.5196 123.0146 60.0422 32.3797 178.9863 17 A 3.9998 8.0283 121.2460 54.7707 18.3122 179.3093 18 A 4.0108 8.0037 119.0443 55.1316 18.5540 179.5184 19 F 3.8054 8.4583 119.4901 61.5157 39.3196 177.2129 20 N 4.4334 8.4901 115.3001 56.1638 38.5705 176.9952 21 Q 4.0436 8.1556 121.1556 59.3252 28.9892 177.6487 22 M 3.9551 7.9530 118.2929 58.5338 32.4817 177.7310 23 V 4.0489 7.3440 109.8952 59.9754 31.7991 175.5462 24 Q 4.0016 7.2841 121.7438 57.6902 28.9748 176.6166 25 G 3.8830 8.9428 113.7756 45.8051 0.0000 173.1326 26 H 4.4298 8.1057 115.8127 55.0717 29.7930 175.0145 27 K 3.6856 7.7784 117.9738 57.5926 30.9520 174.6637 28 L 3.8797 7.0983 116.7952 53.3299 43.4443 175.8424 29 P 4.2546 0.0000 0.0000 62.4938 31.5337 177.1927 30 A 3.9444 8.6107 121.8306 55.1236 17.8099 180.1181 31 W 4.2979 8.1247 114.6202 59.3778 27.7598 178.5676 32 V 3.1889 6.5050 118.7308 66.1823 31.0417 177.5214 33 M 3.9918 7.4396 115.3218 55.1786 32.5020 176.1376 34 K 4.5039 8.1987 113.9178 56.7420 31.9309 178.3573 35 G 3.9213 9.6603 101.4704 46.5445 0.0000 173.1912 36 G 4.1432 8.3035 107.7414 46.5658 0.0000 173.2720 37 T 4.9301 8.5484 116.5837 61.9908 70.7014 173.9180 38 Y 5.3636 8.0267 121.7488 55.7302 41.6836 174.2222 39 T 4.7164 8.5556 117.0050 60.8249 70.4412 173.3394 40 P 4.4695 0.0000 0.0000 62.7781 31.8394 175.9786 41 A 4.4917 8.6107 122.5531 52.7246 19.1086 176.6403 42 Q 4.7640 9.2122 118.8461 54.4261 33.1108 174.5430 43 T 5.0035 8.4948 118.1530 62.2953 70.3259 174.4375 44 V 4.7916 9.1952 125.8757 61.4750 35.5272 173.9518 45 T 5.1537 8.9689 123.8961 61.8780 71.1717 173.1531 46 L 5.0424 9.2050 127.3608 53.2640 44.1513 178.0062 47 G 4.1842 9.7600 117.6342 46.4843 0.0000 176.0790 48 D 4.5996 9.1853 124.5128 53.2952 40.7333 176.1555 49 E 4.4795 7.8968 119.2034 54.9122 31.2966 174.5609 50 T 5.0623 7.7581 117.6307 62.0768 71.2225 173.1305 51 Y 4.9553 9.3311 122.4762 56.3354 42.9735 174.1894 52 Q 5.0026 9.4579 121.0175 54.8561 30.8028 174.8600 53 V 5.0813 9.4364 125.1739 61.3007 34.0211 174.2824 54 M 5.4180 9.3525 124.8847 53.7513 35.2706 174.1141 55 S 5.2801 8.4805 112.5387 57.5223 67.3320 172.0635 56 A 5.2770 8.9790 120.7101 51.6728 23.1790 172.5580 57 C 4.8764 9.1620 113.6358 53.2766 47.5401 173.1098 58 K 2.8109 7.4666 120.9490 54.8848 32.3645 174.6094 59 P 4.1260 0.0000 0.0000 64.3857 31.6550 176.3343 60 H 4.1286 8.9545 117.3114 56.5183 27.1154 174.9141 61 D 4.6454 7.7762 119.8932 52.7329 41.2942 176.0009 62 C 4.0664 8.1952 120.3613 59.3460 44.0768 174.1153 63 G 3.5386 7.8275 105.9368 46.5072 0.0000 174.2130 64 S 4.4328 7.9583 116.1978 59.8795 63.9281 174.1650 65 Q 5.0200 7.5596 118.9469 54.2589 32.8228 174.3954 66 R 5.2334 8.6724 119.3250 55.3063 33.6472 173.6229 67 I 5.2328 9.1535 118.9920 59.6390 42.1179 173.4437 68 A 5.3520 9.1817 128.4565 50.2688 22.7802 175.2023 69 V 4.9378 9.0656 119.8201 61.5080 35.6519 173.8753 70 M 5.2353 9.3397 127.2245 53.4202 34.5394 174.6674 71 W 5.6093 9.6384 133.7547 55.6794 34.7355 173.7394 72 S 4.4407 9.0566 122.6991 57.0601 62.2074 174.8320 73 E 2.5400 8.1427 127.5087 58.4657 29.6848 178.6728 74 K 3.9021 7.7231 119.4599 59.0449 32.2977 177.6027 75 S 4.3740 7.7279 109.8600 57.3675 63.5366 174.2008 76 N 4.4437 7.9442 118.3334 54.1535 38.3980 173.6954 77 Q 4.4496 7.7361 116.2767 56.6626 30.0450 174.7450 78 M 5.5863 8.7430 122.0479 54.2514 35.4502 174.0825 79 T 4.8075 9.2335 119.3360 60.8206 72.0321 172.4436 80 G 4.4121 8.9233 111.5655 45.6236 0.0000 171.1272 81 L 4.9024 9.1167 121.2618 53.6080 45.7614 174.2441 82 F 5.2118 9.1224 128.9112 56.3775 42.4040 173.8725 83 S 4.9306 8.2243 119.7835 56.6794 65.5601 172.6120 84 T 4.9819 8.6283 122.8173 61.7861 72.1433 172.7146 85 I 4.7794 8.4917 127.1502 59.5445 38.9949 175.1862 86 D 4.3735 9.0190 127.7944 54.0644 41.8780 176.2019 87 E 3.8426 9.1563 127.3246 59.2434 29.8118 177.8109 88 K 4.2338 7.8947 118.0636 57.6800 32.8600 177.3834 89 T 4.1137 7.8783 107.4283 61.6948 69.5692 175.6926 90 S 4.0646 8.1166 114.1217 58.0475 61.9209 169.2264 91 Q 4.1775 8.1741 121.3408 56.5936 30.0300 174.1355 92 E 4.9823 8.7490 126.7318 54.5358 31.6347 174.7094 93 K 4.6029 9.1255 127.0236 54.7700 34.3435 175.0957 94 L 5.0206 8.5100 124.9659 53.2360 43.9689 176.0186 95 T 4.5279 8.5826 119.8139 61.5029 71.4853 173.1059 96 W 4.7248 8.8527 126.8554 55.9077 30.5668 175.6716 97 L 4.3969 9.1829 125.1381 53.6198 43.1608 175.8774 98 N 4.4482 8.6739 121.3243 54.9650 37.2606 174.6518 99 V 4.1071 7.1632 116.6375 60.0827 31.6407 177.3760 100 N 4.3759 7.9168 113.2105 53.9677 39.2962 173.5591 101 D 4.4168 12.0000 112.0452 54.9767 38.9635 174.8081 102 A 4.5499 7.8644 122.3965 52.5299 21.0630 177.9556 103 L 4.0080 7.8175 118.1889 54.9075 42.7227 177.0974 104 S 4.6050 8.2016 120.8369 56.6597 66.4709 175.0339 105 I 3.5124 8.0380 121.9097 64.9054 36.6486 178.3539 106 D 4.3257 8.0058 119.0278 57.1421 40.6584 178.8872 107 G 3.6005 8.0052 106.1084 47.7104 0.0000 175.8561 108 K 4.0786 8.2205 121.1963 59.5551 31.9560 179.5827 109 T 4.0418 8.0104 115.9948 66.6938 68.3191 176.9133 110 V 3.6124 8.3863 120.5934 66.0211 31.5185 178.1014 111 L 4.0273 8.2840 118.8237 57.7755 41.4353 179.2952 112 F 4.0330 8.7512 120.5687 61.1459 39.3655 177.0683 113 A 3.8694 8.6265 120.7445 54.8033 17.9648 179.6076 114 A 3.9050 7.9947 119.8020 55.2410 18.3884 179.7329 115 L 3.9463 7.6756 116.1479 58.2818 40.7442 178.7061 116 T 3.8254 7.4143 114.1307 64.4139 67.5913 174.5302 117 G 4.4114 7.4957 106.8241 46.3078 0.0000 176.0287 118 S 4.2673 8.2594 116.6064 61.4340 62.7831 176.0349 119 L 3.9285 7.8652 123.2181 58.1184 41.7772 178.9266 120 E 4.0903 8.0641 118.0725 59.5655 29.2766 178.9464 121 N 4.4257 7.9687 115.4644 55.3015 40.0672 175.3204 122 H 5.0017 8.2545 116.7400 52.4896 29.3507 171.7289 123 P 4.3865 0.0000 0.0000 64.5279 31.3325 177.8392 124 D 4.9167 8.2051 115.9386 54.0105 41.1831 176.4008 125 G 3.9062 8.3145 106.4590 45.3825 0.0000 174.5169 126 F 4.2939 7.8221 116.8625 56.7331 40.1540 174.2903 127 N 4.6455 7.8487 118.5521 52.3985 39.5671 175.8837 128 F 5.0876 8.5091 123.4616 56.0739 38.3567 175.1342 129 R 4.8773 8.1503 119.0191 55.4247 31.7863 176.4029 130 S 4.6913 8.1956 114.3803 57.5266 67.4576 173.8595 131 H 4.4619 8.3639 115.7461 56.2798 29.6411 173.6675 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 D 8.36 4.48 0.00 2.71 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 7.55 3.97 0.00 1.75 1.69 0.69 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.99 4.56 3.73 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 0.26 0.00 0.00 6 I 8.13 3.67 1.92 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.95 1.03 0.00 0.00 7 S 7.82 4.00 0.00 3.82 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 0.00 8 S 7.95 4.00 0.00 3.94 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 9 L 7.41 3.62 0.00 1.61 1.54 0.69 -0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.37 3.38 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.16 4.31 0.00 1.55 1.75 0.00 1.63 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.22 1.53 7.81 12 G 7.41 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 0.00 0.00 0.00 13 E 8.95 3.85 0.00 1.91 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 2.29 2.37 0.00 14 T 7.84 4.52 4.31 0.00 0.00 0.00 0.00 0.00 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 15 T 7.40 4.62 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 1.15 0.00 0.00 16 K 8.52 4.08 0.00 2.03 2.19 0.00 1.28 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.46 7.81 17 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 18 A 8.00 4.01 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 19 F 8.46 3.81 0.00 3.16 3.22 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 20 N 8.49 4.43 0.00 2.91 2.90 0.00 0.00 7.04 8.08 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 21 Q 8.16 4.04 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 22 M 7.95 3.96 0.00 1.78 1.97 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.37 0.00 23 V 7.34 4.05 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 0.11 0.00 0.00 0.86 0.00 0.00 24 Q 7.28 4.00 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.54 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 25 G 8.94 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 26 H 8.11 4.43 0.00 3.18 3.19 0.00 5.81 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 27 K 7.78 3.69 0.00 1.90 1.83 0.00 1.54 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.25 1.39 7.81 28 L 7.10 3.88 0.00 1.31 0.97 0.60 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.25 0.00 1.96 2.25 0.00 2.88 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 2.36 0.00 30 A 8.61 3.94 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 31 W 8.12 4.30 0.00 3.58 3.37 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 32 V 6.50 3.19 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 -0.31 0.00 0.00 33 M 7.44 3.99 0.00 1.98 1.93 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 34 K 8.20 4.50 0.00 1.98 1.20 0.00 1.31 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.53 7.81 35 G 9.66 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 0.00 0.00 0.00 36 G 8.30 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 37 T 8.55 4.93 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 1.07 0.00 0.00 38 Y 8.03 5.36 0.00 3.11 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 39 T 8.56 4.72 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 1.28 0.00 0.00 40 P 0.00 4.47 0.00 2.24 2.16 0.00 3.78 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 2.17 1.99 0.00 41 A 8.61 4.49 1.40 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 0.00 0.00 0.00 0.00 0.00 42 Q 9.21 4.76 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 43 T 8.49 5.00 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 1.24 0.00 0.00 44 V 9.20 4.79 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 0.99 0.00 0.00 1.00 0.00 0.00 45 T 8.97 5.15 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 1.29 0.00 0.00 46 L 9.20 5.04 0.00 1.83 1.73 0.90 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 47 G 9.76 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 D 9.19 4.60 0.00 2.78 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 49 E 7.90 4.48 0.00 2.05 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 2.22 2.35 0.00 50 T 7.76 5.06 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 1.16 0.00 0.00 51 Y 9.33 4.96 0.00 2.88 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 52 Q 9.46 5.00 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.64 0.00 53 V 9.44 5.08 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 1.18 0.00 0.00 1.02 0.00 0.00 54 M 9.35 5.42 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.71 0.00 55 S 8.48 5.28 0.00 4.00 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 56 A 8.98 5.28 1.56 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 0.00 0.00 57 C 9.16 4.88 0.00 2.86 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 58 K 7.47 2.81 0.00 0.82 1.40 0.00 1.83 0.00 0.00 1.54 0.00 0.00 2.83 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.13 0.94 7.81 59 P 0.00 4.13 0.00 1.92 1.76 0.00 3.63 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.99 0.00 60 H 8.95 4.13 0.00 3.27 3.39 0.00 5.70 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.78 4.65 0.00 2.55 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 0.00 0.00 0.00 62 C 8.20 4.07 0.00 2.79 2.97 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 63 G 7.83 3.54 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 0.00 0.00 0.00 64 S 7.96 4.43 0.00 4.08 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 65 Q 7.56 5.02 0.00 1.99 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.72 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 66 R 8.67 5.23 0.00 1.76 1.86 0.00 2.77 0.00 0.00 2.93 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.57 0.00 67 I 9.15 5.23 2.20 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.65 1.22 0.00 0.00 68 A 9.18 5.35 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 69 V 9.07 4.94 2.17 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 1.22 0.00 0.00 1.01 0.00 0.00 70 M 9.34 5.24 0.00 1.78 1.90 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 71 W 9.64 5.61 0.00 3.33 3.14 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 72 S 9.06 4.44 0.00 3.59 3.55 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 73 E 8.14 2.54 0.00 1.66 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 1.95 1.88 0.00 74 K 7.72 3.90 0.00 1.54 1.62 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.33 7.81 75 S 7.73 4.37 0.00 3.98 3.87 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 76 N 7.94 4.44 0.00 2.98 3.08 0.00 0.00 7.17 6.62 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 77 Q 7.74 4.45 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.54 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 78 M 8.74 5.59 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.59 0.00 79 T 9.23 4.81 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 1.21 0.00 0.00 80 G 8.92 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 0.00 0.00 0.00 0.00 81 L 9.12 4.90 0.00 1.48 1.37 -0.54 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 82 F 9.12 5.21 0.00 3.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.22 4.93 0.00 3.64 3.37 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 84 T 8.63 4.98 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 1.31 0.00 0.00 85 I 8.49 4.78 1.84 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 1.09 0.49 0.90 0.00 0.00 86 D 9.02 4.37 0.00 2.76 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 87 E 9.16 3.84 0.00 1.97 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 2.30 2.26 0.00 88 K 7.89 4.23 0.00 1.76 1.81 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.42 7.81 89 T 7.88 4.11 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 1.29 0.00 0.00 90 S 8.12 4.06 0.00 4.06 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 8.17 4.18 0.00 2.18 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.56 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 92 E 8.75 4.98 0.00 2.03 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 93 K 9.13 4.60 0.00 1.71 1.72 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.40 7.81 94 L 8.51 5.02 0.00 1.36 0.97 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 95 T 8.58 4.53 4.29 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 0.00 0.00 0.00 1.13 0.00 0.00 96 W 8.85 4.72 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 97 L 9.18 4.40 0.00 1.67 1.63 0.82 0.18 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 98 N 8.67 4.45 0.00 2.78 2.80 0.00 0.00 7.21 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 99 V 7.16 4.11 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 0.78 0.00 0.00 0.96 0.00 0.00 100 N 7.92 4.38 0.00 2.70 2.86 0.00 0.00 7.30 8.47 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 0.00 101 D 12.00 4.42 0.00 2.87 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 0.00 102 A 7.86 4.55 1.28 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 0.00 103 L 7.82 4.01 0.00 1.55 1.47 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 104 S 8.20 4.60 0.00 4.02 3.95 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 0.00 105 I 8.04 3.51 1.77 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.49 0.80 0.00 0.00 106 D 8.01 4.33 0.00 2.64 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 0.00 107 G 8.01 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 0.00 108 K 8.22 4.08 0.00 1.73 1.55 0.00 1.05 0.00 0.00 1.06 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 1.20 7.81 109 T 8.01 4.04 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 1.47 0.00 0.00 110 V 8.39 3.61 2.30 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 1.13 0.00 0.00 1.34 0.00 0.00 111 L 8.28 4.03 0.00 2.22 1.85 1.20 0.92 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 0.00 112 F 8.75 4.03 0.00 3.38 3.30 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 0.00 113 A 8.63 3.87 0.78 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 0.00 0.00 114 A 7.99 3.90 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 0.00 115 L 7.68 3.95 0.00 1.68 1.73 0.55 0.67 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 0.00 116 T 7.41 3.83 3.55 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 1.15 0.00 0.00 117 G 7.50 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 0.00 0.00 0.00 0.00 118 S 8.26 4.27 0.00 3.96 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 0.00 119 L 7.87 3.93 0.00 1.39 1.53 0.92 0.68 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 0.00 120 E 8.06 4.09 0.00 2.21 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 2.38 2.46 0.00 121 N 7.97 4.43 0.00 2.54 2.62 0.00 0.00 6.84 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 0.00 122 H 8.25 5.00 0.00 3.43 3.23 0.00 5.84 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 P 0.00 4.39 0.00 2.21 2.26 0.00 3.47 0.00 0.00 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 124 D 8.21 4.92 0.00 2.67 2.68 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 0.00 0.00 0.00 0.00 125 G 8.31 3.91 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 0.00 0.00 0.00 126 F 7.82 4.29 0.00 2.91 2.97 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 0.00 127 N 7.85 4.65 0.00 2.58 2.68 0.00 0.00 6.92 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 0.00 128 F 8.51 5.09 0.00 3.02 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 0.00 129 R 8.15 4.88 0.00 1.68 1.82 0.00 3.24 0.00 0.00 2.36 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.47 0.00 130 S 8.20 4.69 0.00 3.81 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 0.00 131 H 8.36 4.46 0.00 3.13 3.16 0.00 5.73 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