NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.0351 8.3144 119.9981 57.1159 32.8411 171.9834 2 K 3.5018 8.6448 131.5757 54.7119 29.7035 172.8614 3 P 4.7735 0.0000 0.0000 62.2280 33.3660 175.1258 4 K 4.8477 9.2681 121.0960 54.7473 36.4409 174.8791 5 L 5.2108 8.7449 120.6953 53.2151 45.0101 176.0002 6 L 5.0483 8.6410 121.6656 53.5737 43.9760 174.5843 7 Y 4.9636 9.2262 126.6807 56.1558 40.8063 173.6551 8 C 4.4830 8.5384 128.0143 56.6413 32.6559 174.5502 9 S 3.9357 8.0675 121.2246 60.7813 63.4281 174.6050 10 N 4.2845 7.6470 119.0015 53.3057 36.8414 173.2752 11 G 4.0391 8.4681 114.1086 43.7552 0.0000 171.3651 12 G 3.7214 7.7192 105.1808 43.8346 0.0000 172.1711 13 H 4.7764 7.0978 114.9908 54.0213 32.5704 175.7412 14 F 5.2243 8.8796 120.2178 56.4042 40.7863 174.9787 15 L 4.6447 9.2850 125.7786 54.9166 43.2518 175.3775 16 R 4.8879 9.1155 126.5113 54.6112 33.1154 174.2337 17 I 4.5930 8.4444 127.4182 59.3444 38.6456 175.7193 18 L 4.1236 8.9024 128.3014 53.5879 42.2121 176.9782 19 P 4.2571 0.0000 0.0000 65.7626 31.2942 177.3072 20 D 4.4930 7.9104 114.9040 53.7584 40.0019 176.7334 21 G 4.1461 8.1923 108.9289 45.8641 0.0000 174.1371 22 T 4.1351 8.7769 118.0960 63.7573 68.8304 173.1890 23 V 4.9723 8.2791 125.1714 60.2893 34.3635 174.3260 24 D 4.5452 8.0111 124.9821 53.2124 42.7276 174.0799 25 G 4.6342 8.5538 104.9089 45.4584 0.0000 172.2941 26 T 4.9864 8.8125 113.9824 60.5689 70.6931 175.0532 27 R 4.0606 8.9528 126.6214 58.0360 30.9076 176.1836 28 D 4.5428 8.2224 119.3788 53.8369 41.0024 176.6510 29 R 3.6295 8.5770 127.3177 58.3121 30.4014 176.9897 30 S 4.3145 7.7919 111.9437 59.1668 63.1319 173.6697 31 D 4.4781 7.6030 121.5973 53.8153 41.2283 177.0697 32 Q 3.9554 8.6650 125.7061 58.6156 29.0571 176.6280 33 H 4.6959 8.4760 114.6129 55.6981 28.8981 176.0278 34 I 4.5503 7.2107 111.7332 60.0538 38.2065 175.3236 35 Q 4.3997 7.7308 121.9101 55.2468 29.8551 174.6449 36 L 5.2782 9.1017 124.3317 52.7608 46.1456 175.4301 37 Q 4.6888 9.0524 123.0257 54.4533 31.4545 174.4069 38 L 5.0619 8.6462 127.7403 53.5215 42.6838 176.0524 39 S 4.8518 8.9254 119.1812 56.1889 66.0192 173.0977 40 A 4.9556 8.6551 125.8634 50.6017 19.1685 176.0116 41 E 4.2731 9.0908 127.1058 56.5054 28.5227 179.8956 42 S 4.4124 9.1584 115.1175 57.4025 63.6223 173.7970 43 V 3.6260 8.3732 121.7295 65.7884 31.7548 177.2162 44 G 3.7758 8.2850 108.4875 47.7996 0.0000 172.5262 45 E 5.3577 7.9066 118.0371 54.4464 33.5225 175.7983 46 V 4.7429 8.8333 113.5248 60.1428 36.6838 174.1812 47 Y 5.1919 8.8839 121.0720 57.0829 40.1019 174.7016 48 I 4.7979 8.6028 123.9572 59.5182 39.8224 174.3017 49 K 4.6785 8.8592 129.0643 53.9003 35.4040 175.2351 50 S 4.5922 8.4821 122.7567 59.2768 62.6851 174.8773 51 T 4.0366 8.6045 117.4586 63.8835 68.9756 176.1255 52 E 4.0312 8.3794 123.0838 58.9366 29.6676 177.1459 53 T 4.3621 7.6285 106.6142 60.3860 70.1395 175.2311 54 G 3.8204 7.9362 109.8054 46.4542 0.0000 173.8126 55 Q 4.4840 7.2073 118.7994 55.4094 30.6791 174.4110 56 Y 4.9889 9.9278 118.7580 55.7411 40.7929 175.3090 57 L 4.3843 8.8071 126.9558 55.7124 43.2880 175.6976 58 A 5.1709 8.6765 126.3786 50.7101 23.1777 174.3375 59 M 5.4720 9.0046 119.6793 53.9562 35.3909 175.2045 60 D 5.8500 9.7391 125.7409 51.7205 41.1347 177.2210 61 T 4.3533 8.6484 107.2603 63.5279 68.3566 174.1257 62 D 4.8611 8.7524 120.7563 54.1874 41.6529 176.7644 63 G 3.3762 9.0260 108.0788 45.0874 0.0000 172.5555 64 L 4.7425 7.8366 121.8672 53.4468 43.8860 175.3020 65 L 5.1167 8.5782 126.2736 54.5133 43.0406 175.3578 66 Y 5.0443 9.2475 120.6877 55.8954 42.4575 173.7437 67 G 4.3168 8.9701 107.6124 44.8596 0.0000 173.0583 68 S 5.0516 9.0550 122.2504 56.4883 63.8063 175.3593 69 Q 4.1750 9.1953 126.5132 58.1111 28.9395 176.4857 70 T 4.6033 7.6172 107.0786 58.4313 70.8961 172.3284 71 P 3.7028 0.0000 0.0000 62.9833 31.8796 175.0068 72 N 4.6195 8.1416 116.1725 52.1919 39.5970 174.3085 73 E 3.8565 8.8924 118.3074 59.4064 29.6327 177.4166 74 E 4.2054 8.0936 115.7172 57.0898 29.9698 176.8105 75 C 5.1770 7.7867 115.5623 58.9208 28.7813 172.7278 76 L 4.2324 7.0557 123.2630 53.3575 43.6122 175.0246 77 F 5.2604 8.6134 123.9850 55.5776 43.4395 173.9874 78 L 4.6198 9.3069 123.5800 54.1464 42.7882 175.3729 79 E 4.7497 8.6732 125.9123 55.1993 30.6230 175.5972 80 R 4.7279 8.3933 124.9724 54.2734 34.5348 173.9188 81 L 4.8946 8.5407 124.6870 54.1974 43.6772 175.8854 82 E 4.5624 8.8102 126.2886 54.7933 32.0270 176.4893 83 E 3.8834 8.8049 120.2734 59.6940 29.7209 177.0831 84 N 4.6668 8.2404 113.9492 53.8414 38.9106 173.9042 85 H 4.0247 7.9874 112.0335 57.5479 26.6448 174.4241 86 Y 4.6175 7.8056 115.6816 57.4052 40.0419 174.3977 87 N 5.3212 9.3038 119.8720 52.6470 40.7924 174.5107 88 T 5.2783 8.4462 112.0688 60.2375 73.0793 172.5200 89 Y 5.6765 8.8783 118.6042 55.6153 41.9657 174.3214 90 I 5.0071 8.4151 117.4040 58.6326 41.1812 174.6948 91 S 4.1608 8.9544 119.6328 58.2359 63.1070 174.5954 92 K 3.8089 8.6317 129.3582 59.5629 32.2464 178.3513 93 K 3.6996 7.9381 117.4600 59.5072 31.9181 177.0746 94 H 4.5847 7.8011 114.1536 54.4484 28.7921 176.1603 95 A 4.0749 7.8359 127.2179 54.5359 18.2012 180.2884 96 E 3.8797 7.9328 114.6015 59.3707 29.8673 178.1382 97 K 4.0532 7.5377 117.5918 59.0163 32.1920 178.5579 98 N 3.8279 7.1099 111.3519 53.7072 35.0694 171.9138 99 W 5.0575 7.7041 123.4262 55.2537 31.1760 175.3918 100 F 5.3059 9.5026 124.5004 55.8676 40.8078 176.0791 101 V 3.9172 8.8896 122.5767 63.0514 32.5726 175.2128 102 G 5.0497 8.7462 113.1521 45.0393 0.0000 171.2834 103 L 5.2523 8.2428 122.4262 52.1730 44.0210 176.8993 104 K 4.0446 9.1773 123.5848 56.1225 32.6923 178.1016 105 K 4.0290 8.5486 119.8373 59.1974 31.9390 177.7719 106 N 4.6466 7.8567 113.3971 52.2499 38.0524 175.2144 107 G 3.7139 7.8629 108.7940 45.3037 0.0000 174.0830 108 S 4.8166 8.0604 114.3099 57.1836 65.1391 173.4832 109 C 4.6622 8.5007 121.9778 59.4105 31.8561 173.4790 110 K 4.1924 8.3922 125.7956 56.3978 32.5753 177.3985 111 R 4.1515 8.6081 122.6161 55.6581 30.9063 177.8026 112 G 3.4022 9.8998 111.5733 48.3001 0.0000 174.1237 113 P 4.1277 0.0000 0.0000 63.7335 31.3162 177.0742 114 R 4.4480 7.3254 115.9218 55.8461 31.1555 176.5081 115 T 4.5673 7.5573 108.3048 61.1885 69.3401 173.4103 116 H 4.6600 8.1432 117.0843 54.5295 31.1398 172.5079 117 Y 3.9314 7.8683 117.9258 59.5443 38.0414 177.3370 118 G 3.9227 8.8288 111.2683 45.3022 0.0000 173.5760 119 Q 4.1055 7.1945 118.8582 54.9156 29.4900 177.3795 120 K 3.7136 8.5115 121.4664 58.8257 32.4936 178.5826 121 A 4.1055 7.7298 121.2093 53.5776 18.6404 178.0053 122 I 4.6571 6.8595 107.0663 59.7673 38.5719 175.5981 123 L 4.5044 7.0602 123.3540 53.7026 42.8938 175.5442 124 F 5.1943 9.7875 123.0656 55.4878 43.0837 174.0937 125 L 5.1257 9.0015 124.3519 52.6423 44.0737 173.8904 126 P 5.1340 0.0000 0.0000 62.9702 32.0113 175.8105 127 L 5.0205 9.0578 123.0760 52.2178 46.1550 174.4417 128 P 4.8418 0.0000 0.0000 62.3532 33.1687 176.3092 129 V 4.1508 8.1571 121.3168 60.4128 31.3831 176.0659 130 S 4.6801 8.3394 118.1284 57.5665 62.2471 173.6735 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 K 8.31 4.04 0.00 1.86 1.95 0.00 1.53 0.00 0.00 1.93 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.51 7.81 2 K 8.64 3.50 0.00 1.99 1.93 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.30 1.51 7.81 3 P 0.00 4.77 0.00 1.94 1.93 0.00 3.65 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 1.99 2.08 0.00 4 K 9.27 4.85 0.00 1.65 1.81 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.39 7.81 5 L 8.74 5.21 0.00 1.75 1.76 0.44 0.46 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 6 L 8.64 5.05 0.00 1.64 1.74 0.41 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 7 Y 9.23 4.96 0.00 3.26 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 C 8.54 4.48 0.00 2.37 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.07 3.94 0.00 3.70 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 10 N 7.65 4.28 0.00 2.61 2.57 0.00 0.00 7.05 7.98 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 11 G 8.47 4.04 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 0.00 0.00 0.00 12 G 7.72 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 H 7.10 4.78 0.00 3.03 3.25 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.88 5.22 0.00 3.15 3.01 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 15 L 9.28 4.64 0.00 1.91 1.57 0.94 0.36 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 16 R 9.12 4.89 0.00 1.96 2.02 0.00 3.28 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 17 I 8.44 4.59 1.85 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 1.19 0.73 0.91 0.00 0.00 18 L 8.90 4.12 0.00 1.91 1.57 0.92 0.78 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 19 P 0.00 4.26 0.00 2.00 2.12 0.00 3.52 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.99 0.00 20 D 7.91 4.49 0.00 2.80 2.78 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 21 G 8.19 4.15 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 0.00 22 T 8.78 4.14 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 1.23 0.00 0.00 23 V 8.28 4.97 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 1.09 0.00 0.00 0.97 0.00 0.00 24 D 8.01 4.55 0.00 2.83 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 25 G 8.55 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.81 4.99 4.33 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 1.40 0.00 0.00 27 R 8.95 4.06 0.00 1.88 2.00 0.00 3.23 0.00 0.00 3.09 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 28 D 8.22 4.54 0.00 2.85 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 29 R 8.58 3.63 0.00 1.80 1.86 0.00 3.15 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.95 0.00 30 S 7.79 4.31 0.00 4.02 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 31 D 7.60 4.48 0.00 2.98 2.56 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 32 Q 8.66 3.96 0.00 1.86 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 33 H 8.48 4.70 0.00 3.41 3.51 0.00 5.79 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 34 I 7.21 4.55 1.94 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.24 1.01 0.00 0.00 35 Q 7.73 4.40 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 36 L 9.10 5.28 0.00 1.47 1.43 0.86 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 9.05 4.69 0.00 2.02 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 38 L 8.65 5.06 0.00 1.60 1.65 0.98 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.93 4.85 0.00 3.94 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 40 A 8.66 4.96 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 41 E 9.09 4.27 0.00 1.96 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 2.38 2.38 0.00 42 S 9.16 4.41 0.00 3.88 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 43 V 8.37 3.63 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 0.85 0.00 0.00 0.94 0.00 0.00 44 G 8.29 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 0.00 0.00 0.00 45 E 7.91 5.36 0.00 1.75 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 2.15 2.21 0.00 46 V 8.83 4.74 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 0.84 0.00 0.00 1.13 0.00 0.00 47 Y 8.88 5.19 0.00 3.05 3.08 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 48 I 8.60 4.80 1.64 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.55 0.66 0.00 0.00 49 K 8.86 4.68 0.00 1.22 1.39 0.00 1.27 0.00 0.00 0.61 0.00 0.00 2.63 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.04 1.06 7.81 50 S 8.48 4.59 0.00 3.91 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.60 4.04 4.20 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 1.20 0.00 0.00 52 E 8.38 4.03 0.00 1.86 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 2.23 2.36 0.00 53 T 7.63 4.36 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 1.25 0.00 0.00 54 G 7.94 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 55 Q 7.21 4.48 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.12 6.71 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 56 Y 9.93 4.99 0.00 3.08 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.81 4.38 0.00 1.66 1.52 0.82 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.68 5.17 0.54 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 59 M 9.00 5.47 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.73 0.00 60 D 9.74 5.85 0.00 3.01 2.90 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 61 T 8.65 4.35 4.37 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 1.31 0.00 0.00 62 D 8.75 4.86 0.00 2.76 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 9.03 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.84 4.74 0.00 1.82 1.66 0.92 0.69 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 65 L 8.58 5.12 0.00 1.63 1.62 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 9.25 5.04 0.00 3.09 3.08 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 67 G 8.97 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 9.06 5.05 0.00 3.69 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 69 Q 9.20 4.18 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.48 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 70 T 7.62 4.60 4.20 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 1.23 0.00 0.00 71 P 0.00 3.70 0.00 1.72 0.68 0.00 3.57 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.44 0.00 72 N 8.14 4.62 0.00 2.88 2.94 0.00 0.00 5.81 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.89 3.86 0.00 1.92 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 2.21 2.29 0.00 74 E 8.09 4.21 0.00 2.16 2.26 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 2.40 2.37 0.00 75 C 7.79 5.18 0.00 3.23 3.33 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 76 L 7.06 4.23 0.00 1.60 1.21 -0.01 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 77 F 8.61 5.26 0.00 3.15 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 78 L 9.31 4.62 0.00 1.56 1.61 0.88 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.67 4.75 0.00 2.29 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 2.24 2.08 0.00 80 R 8.39 4.73 0.00 1.80 1.78 0.00 3.36 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 81 L 8.54 4.89 0.00 1.62 1.54 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.81 4.56 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 83 E 8.80 3.88 0.00 1.91 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 2.31 2.39 0.00 84 N 8.24 4.67 0.00 2.90 3.25 0.00 0.00 7.03 7.89 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 85 H 7.99 4.02 0.00 3.28 3.35 0.00 5.70 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 7.81 4.62 0.00 2.93 2.89 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 0.00 0.00 0.00 87 N 9.30 5.32 0.00 2.85 2.36 0.00 0.00 6.76 6.96 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 88 T 8.45 5.28 4.77 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 1.47 0.00 0.00 89 Y 8.88 5.68 0.00 2.88 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 90 I 8.42 5.01 1.65 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.90 -0.22 0.00 0.00 91 S 8.95 4.16 0.00 4.04 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 92 K 8.63 3.81 0.00 1.68 1.59 0.00 1.58 0.00 0.00 1.45 0.00 0.00 2.76 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.33 1.29 7.81 93 K 7.94 3.70 0.00 1.60 1.53 0.00 1.71 0.00 0.00 1.54 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.21 1.60 7.81 94 H 7.80 4.58 0.00 3.14 2.59 0.00 5.72 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.84 4.07 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 96 E 7.93 3.88 0.00 2.06 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 0.00 2.22 2.19 0.00 97 K 7.54 4.05 0.00 0.97 1.75 0.00 1.35 0.00 0.00 1.57 0.00 0.00 2.73 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 0.99 7.81 98 N 7.11 3.83 0.00 2.77 3.07 0.00 0.00 6.78 8.99 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 99 W 7.70 5.06 0.00 3.28 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 0.00 100 F 9.50 5.31 0.00 2.88 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 0.00 101 V 8.89 3.92 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 0.63 0.00 0.00 0.48 0.00 0.00 102 G 8.75 5.05 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 0.00 0.00 0.00 103 L 8.24 5.25 0.00 1.40 1.50 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 104 K 9.18 4.04 0.00 1.91 1.69 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.54 7.81 105 K 8.55 4.03 0.00 1.71 1.85 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.39 7.81 106 N 7.86 4.65 0.00 2.78 2.89 0.00 0.00 6.27 7.00 0.00 0.00 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 7.86 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 0.00 0.00 0.00 108 S 8.06 4.82 0.00 3.92 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 0.00 109 C 8.50 4.66 0.00 3.03 2.89 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 0.00 0.00 0.00 110 K 8.39 4.19 0.00 1.71 1.70 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.53 7.81 111 R 8.61 4.15 0.00 1.71 1.57 0.00 3.08 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 112 G 9.90 3.40 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 0.00 113 P 0.00 4.13 0.00 1.87 2.11 0.00 3.03 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.29 0.00 114 R 7.33 4.45 0.00 1.81 1.88 0.00 3.28 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 115 T 7.56 4.57 4.37 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 1.38 0.00 0.00 116 H 8.14 4.66 0.00 3.28 3.38 0.00 5.46 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 0.00 117 Y 7.87 3.93 0.00 3.02 2.86 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 0.00 118 G 8.83 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 0.00 119 Q 7.19 4.11 0.00 1.99 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.74 0.00 0.00 0.00 0.00 0.00 2.21 2.00 0.00 120 K 8.51 3.71 0.00 1.63 1.66 0.00 1.50 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.27 7.81 121 A 7.73 4.11 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 0.00 122 I 6.86 4.66 1.69 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.88 0.68 0.00 0.00 123 L 7.06 4.50 0.00 1.27 0.93 0.54 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 124 F 9.79 5.19 0.00 3.28 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 0.00 125 L 9.00 5.13 0.00 2.21 1.80 0.84 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 126 P 0.00 5.13 0.00 2.08 2.09 0.00 3.80 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.32 0.00 127 L 9.06 5.02 0.00 1.72 1.59 0.95 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.84 0.00 2.24 1.96 0.00 3.59 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 129 V 8.16 4.15 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 0.68 0.00 0.00 0.87 0.00 0.00 130 S 8.34 4.68 0.00 3.79 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