NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4417 8.1927 115.4121 57.7611 64.7027 174.1179 3 S 3.7853 8.5144 114.2565 60.7889 62.0767 174.4230 4 S 4.1056 8.7755 116.7658 61.2746 62.5741 175.6182 5 I 3.7052 7.6815 122.5687 64.4592 36.8054 178.5727 6 R 3.8806 8.7462 119.5648 59.3030 29.8152 178.9272 7 E 3.9880 8.3500 118.3531 59.5420 29.4218 179.1312 8 E 3.9280 8.1500 119.0085 58.9844 29.6394 179.0780 9 V 3.5261 7.9273 118.7143 66.4391 31.6542 177.8818 10 H 4.2669 8.3825 116.1638 58.6573 28.4642 177.8357 11 R 3.9127 8.3093 120.9939 59.4657 29.9121 178.0520 12 H 4.1032 8.3967 118.2464 59.3823 29.7032 177.2251 13 L 4.1005 7.9240 119.5127 57.7518 41.5044 179.5681 14 G 3.7154 8.1300 105.7291 47.9700 0.0000 176.0601 15 T 3.9617 8.0392 118.2601 66.5177 68.5229 177.2265 16 V 3.5307 7.8369 113.9336 64.2413 31.3397 178.4106 17 A 4.0414 7.6653 119.1565 54.9799 17.8919 179.5978 18 L 4.0352 7.9593 117.1606 57.4543 41.7174 178.4125 19 M 4.5178 7.5979 116.2446 53.7472 32.2522 175.6474 20 Q 3.9063 7.2241 121.2689 55.7157 29.3395 174.8139 21 P 4.3181 0.0000 0.0000 63.2738 31.9532 175.2378 22 A 4.3504 7.9806 121.6670 51.8412 21.6450 176.3616 23 L 4.3396 8.3393 120.0854 53.6154 41.2937 176.3122 24 H 4.4636 8.5787 124.5276 54.6554 29.4378 174.4683 25 Q 4.4267 8.2014 129.2298 54.0739 29.1777 175.0905 26 Q 4.1045 8.5138 125.3160 55.7872 29.5114 175.8290 27 T 4.5374 8.2371 112.0167 60.4402 70.7068 174.7483 28 H 4.6884 8.3675 122.8844 54.9908 29.2770 173.4512 29 A 3.6800 7.9183 124.6547 52.3099 15.9107 175.4042 30 P 4.4140 0.0000 0.0000 61.3700 32.8658 177.3357 31 A 4.2363 8.2500 122.0082 51.3613 19.2733 176.9048 32 P 4.2566 0.0000 0.0000 65.9702 31.4578 178.7356 33 T 4.1267 7.8931 105.5781 63.1480 68.7888 174.4145 34 E 4.4039 8.2463 121.2788 56.3114 30.1144 175.5589 35 I 4.3669 7.5400 121.3935 59.9261 38.0921 176.3719 36 T 4.4335 8.2201 116.6344 60.7763 71.5140 175.0153 37 H 4.2468 8.6446 119.8897 59.6035 29.8018 177.1161 38 T 3.8310 7.9289 117.0608 66.7120 68.3219 176.3955 39 L 3.9014 8.0192 120.7686 57.6311 41.6445 179.2108 40 F 4.0976 8.7665 121.0810 61.5176 39.1059 177.2354 41 R 3.9328 8.2067 116.9195 59.2293 29.7776 178.0358 42 A 4.0248 7.8622 120.7632 55.3613 18.1391 179.2938 43 Y 4.2338 8.0157 114.8968 60.7065 37.9812 177.4908 44 T 4.3095 7.3175 108.4456 60.5360 69.3247 174.8980 45 R 3.9779 6.8683 117.2746 56.4371 30.2669 176.0005 46 V 4.0177 7.9693 117.9611 60.7143 32.0517 174.3029 47 P 4.0382 0.0000 0.0000 66.0072 31.1467 177.3776 48 H 4.4075 7.0065 111.2131 56.8064 28.7084 175.7681 49 D 4.5466 7.7206 121.1936 53.2107 39.3526 175.6659 50 V 4.4904 7.2185 113.8892 59.3689 33.2722 176.1499 51 G 3.8591 8.0332 109.5389 47.5701 0.0000 173.7988 52 G 4.0012 8.9749 113.6231 45.1429 0.0000 173.5056 53 E 4.1059 8.0311 119.7557 55.7262 30.1245 176.3583 54 A 4.1459 8.2944 125.3054 52.5320 19.1099 176.3029 55 D 4.6070 8.1171 119.2218 53.3301 44.2372 174.9188 56 V 4.1443 7.9130 116.2340 59.4229 33.1274 174.0527 57 P 4.5350 0.0000 0.0000 61.9584 32.0180 176.1560 58 I 4.3754 7.3190 114.2198 58.6183 40.4364 175.0718 59 E 3.9509 8.4333 123.2571 55.6128 28.5903 175.9520 60 Y 4.3190 8.0084 124.2572 58.4438 38.5471 175.6918 61 H 5.0383 8.2086 117.1873 53.9561 31.9426 172.4559 62 E 4.5525 8.4957 119.3902 55.1052 31.0398 175.7354 63 K 4.5773 7.9877 120.1623 54.5325 35.3063 175.8730 64 E 4.0846 8.5926 125.3303 56.0877 30.1309 176.1562 65 E 4.1963 8.3932 123.5148 55.7318 30.7051 176.2476 66 E 4.2592 8.7158 125.7125 55.6525 30.7721 177.7622 67 I 3.7036 8.5839 123.1295 64.5331 37.2390 178.8637 68 W 4.9430 8.3015 118.0256 59.0063 27.9336 178.1118 69 E 2.9623 7.0801 119.8082 58.6772 28.7191 178.8815 70 L 3.8050 7.4112 119.9387 58.0929 42.1627 178.6199 71 N 4.4582 8.2526 116.6043 56.4835 38.3994 177.6279 72 T 4.0297 8.1399 117.2987 66.4996 68.6074 176.4767 73 F 4.2537 8.1767 122.3503 61.3838 39.3637 176.9389 74 A 3.9476 8.2178 120.2964 55.4842 18.0731 179.7160 75 T 3.8748 8.2698 114.3079 67.0589 68.6418 176.6713 76 C 4.5721 8.5407 118.7295 63.1880 28.2475 176.1433 77 E 4.1329 8.3389 120.0959 59.4379 28.9122 179.2067 78 C 4.5990 8.5780 117.2864 62.8019 28.1150 176.0070 79 L 3.8989 8.4753 120.7864 57.6429 41.1589 179.5258 80 A 5.1733 8.3441 121.6443 54.5940 18.2086 179.1749 81 W 4.5058 8.6412 126.0893 60.7392 30.7063 177.4449 82 R 4.4029 8.0511 115.3308 55.7194 29.8511 177.0742 83 G 3.9797 8.0218 105.6532 46.2736 0.0000 175.7488 84 V 3.6898 8.2064 122.2064 65.0215 31.8024 175.5861 85 W 4.9075 7.8582 114.8335 55.1922 30.4240 172.7308 86 T 4.7706 8.2854 109.2176 59.7609 71.6989 175.2205 87 A 3.5923 8.2025 122.6984 55.2108 18.2764 179.8063 88 E 3.8013 7.9378 116.6814 59.5050 29.5996 179.2115 89 E 3.9166 7.8009 118.8463 59.1531 29.4476 179.3369 90 R 3.0657 7.1085 118.4746 59.1373 29.9565 178.6233 91 R 3.6181 7.7283 118.1034 59.2952 29.9983 178.9927 92 R 3.7810 7.7516 118.2395 59.3851 29.7802 178.7286 93 K 4.1448 7.9361 118.1931 59.2567 32.0050 179.1812 94 Q 4.4774 8.6445 121.5576 57.7868 28.7796 176.7575 95 N 5.0784 8.5487 115.3301 53.2466 39.3214 175.4472 96 C 4.2039 7.4849 116.0245 61.3995 30.7020 176.0859 97 D 4.4325 8.1118 117.6263 57.1551 40.4676 178.5764 98 V 3.6635 7.1068 112.0144 62.3673 31.8865 177.3460 99 G 4.1359 8.0755 105.4591 45.8101 0.0000 173.9530 100 Q 4.0171 8.8483 121.3558 59.6866 28.8592 179.6981 101 T 3.9476 7.9225 115.6255 66.9210 68.6855 176.7978 102 V 3.7075 7.8218 119.4825 65.9647 31.4809 177.0945 103 Y 4.2166 8.4959 119.7610 59.8560 38.3812 177.1896 104 L 4.6239 7.6378 115.5007 54.4638 43.4342 178.1633 105 G 3.8223 8.1556 105.2768 45.6772 0.0000 173.8922 106 M 4.6209 7.1342 119.1366 52.9920 34.3588 174.6865 107 P 4.5965 0.0000 0.0000 62.5390 33.1732 176.2750 108 Y 4.1942 8.8617 119.7808 62.2759 38.4728 178.5177 109 Y 4.3526 8.2086 116.7241 60.3473 38.0645 178.4830 110 G 3.8986 8.4638 107.0741 47.9561 0.0000 175.9040 111 R 4.0921 8.2528 120.1076 58.7612 30.1183 179.0903 112 W 4.6019 8.1700 119.7568 59.1671 29.0984 178.3585 113 L 4.1888 8.7602 120.4428 58.3638 41.5927 178.8566 114 L 4.0763 8.4032 119.2665 58.3878 41.6853 179.7899 115 T 4.0408 8.3575 115.2878 66.2348 67.8306 176.8817 116 A 3.9528 8.2291 122.8294 55.0423 18.3213 179.5350 117 A 3.9462 8.0870 119.3701 55.1963 18.4818 179.6617 118 R 3.8539 8.1692 117.4553 59.8187 30.2763 178.6136 119 I 3.8508 7.9777 118.3356 63.9029 37.7865 177.8055 120 L 4.0999 7.5007 119.1353 57.6028 41.3883 179.6427 121 V 3.9223 7.4495 119.5374 65.4325 31.3941 177.8819 122 D 4.3725 8.3797 117.7011 56.7661 40.6800 177.9554 123 K 4.1518 7.5888 115.8450 55.1222 32.3092 176.4290 124 Q 3.4735 7.6941 116.9141 56.9901 26.6547 175.1206 125 F 4.4988 8.0140 118.4147 59.7536 39.4298 176.4836 126 V 4.6684 7.3475 112.4319 58.9177 35.7062 174.3502 127 T 4.2908 8.7922 113.5420 60.7741 71.3833 175.8833 128 L 3.8904 8.2615 122.9529 58.4928 41.9726 179.3078 129 T 3.8656 7.7848 115.4045 66.6066 68.3638 176.2427 130 E 3.9487 8.1854 120.4887 59.1640 29.4928 179.1731 131 L 3.9269 7.8611 120.3468 58.5077 42.2341 178.6841 132 H 4.2628 8.5275 116.5293 59.1744 28.5827 177.6402 133 N 4.4039 8.5500 118.5238 56.0198 38.2373 177.4619 134 K 3.9415 8.3527 121.4063 59.4941 32.2714 179.0082 135 I 3.6808 7.8969 120.1513 64.2498 37.0259 178.5722 136 V 3.5514 7.8446 119.0749 66.0793 31.4254 177.7358 137 E 3.9587 8.4624 119.3144 59.3917 29.4996 178.4536 138 M 4.0587 8.3193 118.5802 58.5454 32.3121 178.4341 139 R 3.9046 8.1407 118.2978 59.4106 30.2264 178.9480 140 E 3.9876 8.2499 118.3611 59.1031 28.9141 179.2226 141 R 3.8648 7.9804 118.9006 59.4709 30.0870 178.6978 142 V 3.5753 7.7007 117.2892 66.1273 31.3973 177.8131 143 A 4.0444 7.8607 119.2470 55.1742 18.2662 179.4672 144 S 4.2654 8.3332 112.3239 59.8784 63.4573 175.5277 145 G 3.9908 8.0776 110.5115 45.2570 0.0000 174.2716 146 Q 4.1329 7.6205 115.5530 55.9574 29.0029 176.9101 147 G 3.9821 8.7766 103.6552 45.7327 0.0000 173.5020 148 L 4.5681 8.8434 120.1449 53.6014 43.6754 177.5018 149 G 3.7275 8.2143 119.2846 46.6689 0.0000 172.1930 150 E 4.2586 8.3732 121.7452 56.4579 30.3658 176.6580 151 Y 4.4155 7.9628 118.9506 60.2201 38.7189 175.1939 152 L 4.9666 7.6360 122.0776 52.8280 45.1725 173.9625 153 P 4.7993 0.0000 0.0000 61.8489 32.3436 174.4606 154 P 4.6035 0.0000 0.0000 62.4620 32.1512 176.1015 155 K 3.9807 9.0966 123.7445 58.1554 32.7136 174.4111 156 A 4.2501 8.7407 129.3186 51.7718 18.4200 177.0279 157 K 4.0668 8.9421 120.1798 56.5890 31.9825 176.0310 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 2 S 8.19 4.44 0.00 4.02 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 3 S 8.51 3.79 0.00 3.99 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 4 S 8.78 4.11 0.00 3.93 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 5 I 7.68 3.71 2.06 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 1.52 0.77 0.89 0.00 0.00 6 R 8.75 3.88 0.00 1.93 2.03 0.00 3.27 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.84 0.00 7 E 8.35 3.99 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.67 0.00 8 E 8.15 3.93 0.00 2.07 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 0.00 2.30 2.32 0.00 9 V 7.93 3.53 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 0.83 0.00 0.00 0.89 0.00 0.00 10 H 8.38 4.27 0.00 3.22 3.33 0.00 5.67 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.31 3.91 0.00 2.03 2.11 0.00 3.11 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 12 H 8.40 4.10 0.00 3.38 3.52 0.00 5.84 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 13 L 7.92 4.10 0.00 1.84 1.73 0.94 0.82 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 14 G 8.13 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 15 T 8.04 3.96 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 1.19 0.00 0.00 16 V 7.84 3.53 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.94 0.00 0.00 17 A 7.67 4.04 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 18 L 7.96 4.04 0.00 1.72 1.74 0.91 1.20 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 19 M 7.60 4.52 0.00 1.98 2.17 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 20 Q 7.22 3.91 0.00 1.94 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 21 P 0.00 4.32 0.00 2.08 1.98 0.00 3.77 0.00 0.00 3.79 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 22 A 7.98 4.35 1.21 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 0.00 0.00 23 L 8.34 4.34 0.00 1.65 1.67 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.58 4.46 0.00 3.07 3.27 0.00 5.89 0.00 0.00 0.00 0.00 6.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 8.20 4.43 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 26 Q 8.51 4.10 0.00 2.13 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.49 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 27 T 8.24 4.54 4.24 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 1.28 0.00 0.00 28 H 8.37 4.69 0.00 3.13 3.24 0.00 5.85 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 29 A 7.92 3.68 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.41 0.00 2.20 2.08 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 31 A 8.25 4.24 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.26 0.00 2.20 2.15 0.00 3.61 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 33 T 7.89 4.13 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 1.22 0.00 0.00 34 E 8.25 4.40 0.00 2.14 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 2.42 0.00 35 I 7.54 4.37 2.09 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.89 1.14 0.00 0.00 36 T 8.22 4.43 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 1.25 0.00 0.00 37 H 8.64 4.25 0.00 3.27 3.39 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.93 3.83 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 1.20 0.00 0.00 39 L 8.02 3.90 0.00 2.07 1.91 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.77 4.10 0.00 3.26 3.24 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 41 R 8.21 3.93 0.00 1.80 2.04 0.00 3.36 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 42 A 7.86 4.02 1.15 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 43 Y 8.02 4.23 0.00 2.81 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 44 T 7.32 4.31 4.03 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 0.45 0.00 0.00 45 R 6.87 3.98 0.00 1.94 2.13 0.00 3.04 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.51 0.00 46 V 7.97 4.02 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 0.78 0.00 0.00 0.89 0.00 0.00 47 P 0.00 4.04 0.00 1.66 1.77 0.00 3.51 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 48 H 7.01 4.41 0.00 3.33 3.38 0.00 5.57 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.72 4.55 0.00 2.67 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 V 7.22 4.49 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 1.06 0.00 0.00 1.00 0.00 0.00 51 G 8.03 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.03 4.11 0.00 2.09 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 54 A 8.29 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 55 D 8.12 4.61 0.00 2.62 2.51 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 0.00 56 V 7.91 4.14 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 0.76 0.00 0.00 0.89 0.00 0.00 57 P 0.00 4.53 0.00 1.97 1.90 0.00 3.58 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 1.98 2.03 0.00 58 I 7.32 4.38 1.68 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 0.79 -0.13 0.80 0.00 0.00 59 E 8.43 3.95 0.00 1.88 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 60 Y 8.01 4.32 0.00 3.01 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 61 H 8.21 5.04 0.00 3.14 3.25 0.00 5.71 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.50 4.55 0.00 1.97 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.21 0.00 63 K 7.99 4.58 0.00 1.65 1.58 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.42 7.81 64 E 8.59 4.08 0.00 1.97 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 2.29 2.27 0.00 65 E 8.39 4.20 0.00 1.81 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 2.07 2.08 0.00 66 E 8.72 4.26 0.00 1.18 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 2.17 2.20 0.00 67 I 8.58 3.70 2.23 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 1.78 0.88 0.88 0.00 0.00 68 W 8.30 4.94 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 69 E 7.08 2.96 0.00 1.49 1.12 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 1.47 1.47 0.00 70 L 7.41 3.81 0.00 1.88 1.74 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.25 4.46 0.00 3.12 2.99 0.00 0.00 7.02 7.20 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 72 T 8.14 4.03 4.40 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 1.61 0.00 0.00 73 F 8.18 4.25 0.00 2.87 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 74 A 8.22 3.95 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 8.27 3.87 4.57 0.00 0.00 0.00 0.00 0.00 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 76 C 8.54 4.57 0.00 3.54 3.39 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 77 E 8.34 4.13 0.00 1.81 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.84 0.00 78 C 8.58 4.60 0.00 3.26 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.48 3.90 0.00 1.99 1.34 0.56 0.95 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 80 A 8.34 5.17 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.64 4.51 0.00 3.33 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 82 R 8.05 4.40 0.00 1.64 1.71 0.00 3.02 0.00 0.00 2.39 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.38 0.00 83 G 8.02 3.98 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 0.00 0.00 0.00 84 V 8.21 3.69 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 0.52 0.00 0.00 0.48 0.00 0.00 85 W 7.86 4.91 0.00 3.61 3.18 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 86 T 8.29 4.77 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 1.26 0.00 0.00 87 A 8.20 3.59 1.21 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 0.00 0.00 88 E 7.94 3.80 0.00 1.93 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 89 E 7.80 3.92 0.00 2.13 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 0.00 2.37 2.33 0.00 90 R 7.11 3.07 0.00 0.67 1.18 0.00 2.61 0.00 0.00 2.53 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.82 0.00 91 R 7.73 3.62 0.00 1.85 1.86 0.00 3.30 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.68 0.00 92 R 7.75 3.78 0.00 1.79 2.01 0.00 3.34 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.78 0.00 93 K 7.94 4.14 0.00 2.05 1.91 0.00 1.88 0.00 0.00 1.88 0.00 0.00 3.09 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.63 7.81 94 Q 8.64 4.48 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.67 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 95 N 8.55 5.08 0.00 2.75 2.90 0.00 0.00 6.79 7.56 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 96 C 7.48 4.20 0.00 3.00 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 97 D 8.11 4.43 0.00 2.77 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 98 V 7.11 3.66 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 0.82 0.00 0.00 1.16 0.00 0.00 99 G 8.08 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 0.00 100 Q 8.85 4.02 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.48 2.62 0.00 101 T 7.92 3.95 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 1.25 0.00 0.00 102 V 7.82 3.71 2.34 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 1.11 0.00 0.00 0.98 0.00 0.00 103 Y 8.50 4.22 0.00 3.24 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 0.00 104 L 7.64 4.62 0.00 1.72 1.67 1.06 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 105 G 8.16 3.82 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 0.00 0.00 0.00 106 M 7.13 4.62 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.68 0.00 107 P 0.00 4.60 0.00 2.44 2.15 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 108 Y 8.86 4.19 0.00 2.95 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 0.00 109 Y 8.21 4.35 0.00 2.95 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 0.00 110 G 8.46 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 0.00 111 R 8.25 4.09 0.00 2.19 2.07 0.00 3.29 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.93 0.00 112 W 8.17 4.60 0.00 3.82 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 0.00 113 L 8.76 4.19 0.00 2.14 2.06 1.06 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.40 4.08 0.00 1.82 1.79 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 115 T 8.36 4.04 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 116 A 8.23 3.95 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 0.00 0.00 117 A 8.09 3.95 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 0.00 118 R 8.17 3.85 0.00 2.12 2.22 0.00 3.17 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.94 0.00 119 I 7.98 3.85 1.63 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 1.65 1.41 0.14 0.00 0.00 120 L 7.50 4.10 0.00 1.89 1.72 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 121 V 7.45 3.92 2.18 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 1.28 0.00 0.00 0.96 0.00 0.00 122 D 8.38 4.37 0.00 2.70 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 0.00 123 K 7.59 4.15 0.00 1.73 1.18 0.00 2.13 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.46 7.81 124 Q 7.69 3.47 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 7.03 0.00 0.00 0.00 0.00 0.00 2.21 2.19 0.00 125 F 8.01 4.50 0.00 3.15 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 0.00 126 V 7.35 4.67 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 0.83 0.00 0.00 0.93 0.00 0.00 127 T 8.79 4.29 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 1.19 0.00 0.00 128 L 8.26 3.89 0.00 1.70 1.61 0.81 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 129 T 7.78 3.87 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 1.21 0.00 0.00 130 E 8.19 3.95 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 131 L 7.86 3.93 0.00 1.76 1.79 0.93 1.11 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 0.00 132 H 8.53 4.26 0.00 3.37 3.30 0.00 5.69 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 0.00 133 N 8.55 4.40 0.00 2.76 2.87 0.00 0.00 6.70 8.67 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 0.00 134 K 8.35 3.94 0.00 1.93 2.03 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.53 7.81 135 I 7.90 3.68 2.03 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 1.40 0.64 0.89 0.00 0.00 136 V 7.84 3.55 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 0.99 0.00 0.00 1.00 0.00 0.00 137 E 8.46 3.96 0.00 2.12 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 2.31 2.46 0.00 138 M 8.32 4.06 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 139 R 8.14 3.90 0.00 2.09 1.95 0.00 3.16 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 140 E 8.25 3.99 0.00 2.15 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 2.32 2.61 0.00 141 R 7.98 3.86 0.00 2.09 2.10 0.00 3.17 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.79 0.00 142 V 7.70 3.58 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.94 0.00 0.00 143 A 7.86 4.04 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 S 8.33 4.27 0.00 4.01 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 0.00 145 G 8.08 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 0.00 146 Q 7.62 4.13 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.42 0.00 0.00 0.00 0.00 0.00 2.48 2.31 0.00 147 G 8.78 3.98 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 0.00 0.00 0.00 148 L 8.84 4.57 0.00 1.67 1.61 0.98 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 149 G 8.21 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 0.00 0.00 0.00 0.00 150 E 8.37 4.26 0.00 1.91 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 151 Y 7.96 4.42 0.00 3.23 3.03 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 0.00 152 L 7.64 4.97 0.00 1.79 1.60 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.80 0.00 2.12 2.04 0.00 3.86 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 2.00 2.01 0.00 154 P 0.00 4.60 0.00 1.96 2.03 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.24 0.00 155 K 9.10 3.98 0.00 1.72 1.71 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.40 7.81 156 A 8.74 4.25 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 0.00 157 K 8.94 4.07 0.00 1.81 1.72 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 1.36 7.81