NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.0018 8.1933 115.3713 57.9984 64.0266 175.1246 2 W 4.5143 8.3121 116.0179 58.5317 29.1165 176.3403 3 Q 4.1730 8.4657 119.6106 59.1904 28.7930 177.7212 4 T 3.8190 7.5240 113.1596 65.2280 67.3964 175.8328 5 Y 4.1522 7.8308 118.3155 60.9414 37.9095 178.5607 6 V 3.7067 7.9806 118.8237 66.1337 31.8418 177.9575 7 D 4.3466 8.2722 118.5797 57.6268 40.2497 178.4712 8 T 4.0810 8.5126 116.3755 66.3191 68.6867 176.9987 9 N 4.5832 8.0946 117.1593 55.1339 39.2091 174.8370 10 L 4.4523 8.0738 118.2171 55.1541 44.5107 178.3519 11 V 3.8942 6.7053 122.5887 65.5972 32.4245 178.7248 12 G 3.7758 8.1110 107.3866 47.9235 0.0000 174.6808 13 T 3.9043 7.7658 108.7972 62.3469 68.9478 175.7225 14 G 3.8606 8.0576 109.7558 45.8756 0.0000 174.2376 15 A 4.3024 7.9437 122.2542 53.1982 19.1774 178.4722 16 V 4.6743 7.3726 108.7131 59.8379 35.4661 176.1902 17 T 4.3098 8.7168 113.8172 63.4366 69.8499 174.8147 18 Q 4.5511 7.4407 118.6497 54.1568 33.5132 173.9499 19 A 4.8137 8.4086 120.1421 51.9050 23.5324 174.9857 20 A 5.2605 8.6629 120.0882 51.1951 23.8884 175.2999 21 I 4.7624 8.9328 119.6309 59.6071 40.3567 175.3543 22 L 4.6427 8.7446 126.7362 52.6478 45.5614 176.4035 23 G 3.3031 7.7530 108.9297 44.4134 0.0000 174.6637 24 L 4.2197 8.3353 118.6310 56.1584 41.5592 178.0481 25 D 4.4349 7.8346 117.5625 53.9093 40.2162 177.3456 26 G 3.9254 8.1692 108.9726 45.0949 0.0000 173.2040 27 N 4.8391 8.2510 117.6042 52.7058 39.5107 174.4318 28 T 4.5735 8.2997 118.1130 63.3245 69.1759 174.7938 29 W 5.0036 8.9245 125.9862 57.3312 30.7755 176.4999 30 A 4.5172 7.5604 117.2877 51.5425 21.6526 175.1944 31 T 5.3170 8.7501 116.7714 60.0942 71.1928 173.5138 32 S 4.5810 9.2023 120.8033 57.3601 64.9899 173.1128 33 A 4.1022 8.6585 123.2965 54.1116 17.9292 178.5283 34 G 3.9658 8.9801 110.8042 45.7977 0.0000 172.7417 35 F 4.5570 8.4571 122.9979 57.3242 39.3133 174.5614 36 A 4.2125 8.1283 130.4780 50.2343 20.4465 174.7274 37 V 4.0762 7.7679 123.2310 61.8909 32.0355 176.5208 38 T 4.0469 8.1434 118.9407 60.8443 70.6937 173.0385 39 P 4.2286 0.0000 0.0000 66.4227 30.8864 178.5894 40 A 3.9435 7.8878 119.6870 55.0928 18.4782 179.4982 41 Q 4.0508 8.0553 116.2993 58.8233 28.6905 179.2943 42 G 4.0618 8.3593 108.6726 47.4549 0.0000 175.6506 43 Q 3.9565 8.7180 122.8451 59.0890 28.9009 178.3647 44 T 3.8558 8.1895 117.0965 66.3532 67.9196 176.4140 45 L 3.6146 7.7652 121.6276 57.8785 41.9383 178.6849 46 A 4.1899 7.8521 119.6246 55.5037 18.5796 179.5127 47 S 4.2265 8.1759 113.3628 61.3989 62.7088 176.5163 48 A 4.3117 7.4824 124.8963 54.4774 17.7334 179.5026 49 F 4.2043 7.6002 114.3352 59.5846 38.9086 176.4887 50 N 5.0003 8.4457 115.1963 53.5502 40.1804 175.1127 51 N 4.7689 7.2989 123.3145 51.0962 39.5225 174.2809 52 A 4.0034 8.2879 127.9566 54.1400 18.8643 179.3607 53 D 4.4177 8.1454 117.2970 57.1289 40.8834 177.7534 54 P 4.3469 0.0000 0.0000 64.8017 31.5831 176.6157 55 I 4.2142 8.0888 119.1319 62.0881 38.8795 177.7146 56 R 3.9027 7.7062 117.9950 59.2276 29.9603 177.8713 57 A 4.2462 8.0186 118.9437 53.8470 18.8674 177.9930 58 S 4.6198 7.9565 107.2407 57.2049 63.8778 175.9208 59 G 4.0540 8.2354 110.8016 46.6539 0.0000 173.0531 60 F 4.9382 7.6037 111.7828 55.5455 40.9616 173.0203 61 D 5.0524 8.5474 122.0396 53.3637 42.2546 176.5753 62 L 4.2854 9.0289 125.1310 54.5031 44.1399 175.7415 63 A 3.6978 8.5781 130.6971 52.2339 16.2943 177.7655 64 G 3.9358 8.3430 106.3503 45.7352 0.0000 173.2986 65 V 4.1701 7.6620 119.4606 60.8469 33.9783 173.5889 66 H 4.8533 8.3798 126.3821 54.7919 31.2413 173.3189 67 Y 4.7419 7.9231 124.0957 56.1371 41.3004 175.0554 68 V 4.4660 8.5341 116.2265 60.4561 33.5598 175.6507 69 T 4.6457 8.5419 121.6061 64.1290 68.8421 175.0571 70 L 4.3398 9.3447 128.2093 56.9711 42.3771 177.6470 71 R 4.8753 7.9285 113.4016 54.8484 33.1674 173.8601 72 A 5.0233 8.4170 123.0862 51.2059 22.3168 175.4304 73 D 4.6765 8.4293 122.2277 52.4831 41.7955 174.6833 74 D 4.7603 8.8796 117.0170 55.8812 40.1462 176.1662 75 R 4.3900 9.2776 119.7263 57.4733 32.4927 175.6508 76 S 5.5242 8.4968 113.2272 56.7508 67.6264 173.0280 77 I 4.9150 8.9044 122.8089 59.9763 40.5104 173.9080 78 Y 5.1902 9.3715 125.6425 56.2758 40.5170 175.4110 79 G 4.7767 8.7346 110.0185 45.1472 0.0000 170.7760 80 K 4.7981 8.8576 117.4865 56.3527 36.6673 175.3608 81 K 4.4345 9.0955 122.6611 54.7424 33.9458 177.3938 82 G 3.8738 8.6681 120.0326 46.8576 0.0000 172.8107 83 S 4.5289 8.9805 120.2075 58.1133 63.1948 173.1514 84 A 4.4444 7.6057 123.9498 50.8112 21.5847 176.2386 85 G 3.9894 7.3235 104.1274 47.0393 0.0000 172.6733 86 V 4.8875 7.3967 117.4949 60.4520 35.1141 173.2213 87 I 4.3530 8.8264 123.7260 59.7512 40.3193 174.4888 88 T 5.6120 8.3868 123.2999 60.9042 71.6330 173.2558 89 V 4.8538 8.2777 125.4573 60.8944 35.0595 173.7195 90 K 4.4739 8.5263 129.5911 55.2754 33.0960 176.2093 91 T 4.7290 7.9648 118.6868 60.7564 70.5596 174.3030 92 S 4.3059 8.5048 115.0146 61.1117 63.2033 174.8295 93 K 4.6028 8.2314 115.8984 55.3255 34.2380 175.0980 94 S 4.2809 7.9802 113.0082 56.2895 67.3225 172.6176 95 I 4.6825 8.1389 119.4933 59.6221 40.6450 174.7909 96 L 4.8230 8.9921 128.1871 53.3684 43.5438 175.7143 97 V 4.5700 8.5288 124.5319 61.0369 33.8880 174.5202 98 G 4.1678 9.1742 115.7365 44.5296 0.0000 171.4270 99 V 4.7323 8.4639 127.2148 61.4477 33.5498 174.2806 100 Y 5.4014 8.2244 124.1475 55.4053 42.4456 172.8894 101 N 5.3161 8.5143 115.7621 50.8164 40.9987 174.6500 102 E 4.3013 9.1444 115.4867 58.3605 29.4224 177.3465 103 K 4.4374 7.8697 117.5082 56.3414 32.8606 176.0797 104 I 4.4737 7.5798 120.3165 58.9700 39.6072 175.1092 105 Q 4.0534 8.4286 125.9718 55.1325 29.6318 174.7633 106 P 3.4130 0.0000 0.0000 65.4997 31.2913 178.8236 107 G 3.5922 8.0909 103.9484 48.0456 0.0000 175.9507 108 T 3.8752 7.6787 117.6801 66.3731 68.4604 176.7436 109 A 3.9673 7.7304 122.0697 54.8818 18.5187 179.4057 110 A 3.9914 8.1886 119.5675 55.0281 18.3091 179.1728 111 N 4.2178 8.1507 115.7443 56.9504 39.0009 177.2653 112 V 3.5730 7.4479 119.1272 65.9764 31.7212 178.0235 113 V 3.5202 7.8018 117.8193 66.2794 31.4720 177.7731 114 E 4.0070 8.3266 118.1543 59.3242 29.2527 179.4015 115 K 4.1906 7.9191 118.2489 58.5443 32.2365 179.0417 116 L 4.0544 8.0350 120.8650 57.8013 41.9176 178.6826 117 A 3.9920 8.1291 120.8463 55.4306 18.3999 179.3447 118 D 4.3126 8.0667 117.3238 57.5873 40.6957 178.5219 119 Y 4.0028 8.0728 120.1318 60.7529 38.8534 178.0332 120 L 4.2413 8.5405 120.3677 57.8011 41.7145 179.4033 121 I 3.8698 8.1927 120.2616 64.3877 36.7867 178.6914 122 G 3.5239 7.8263 105.5178 47.3459 0.0000 174.8435 123 Q 4.2036 7.3909 117.5433 55.6739 29.0044 176.4879 124 G 3.6447 7.8841 108.4442 45.4478 0.0000 173.8477 125 F 4.6325 8.3744 124.7315 57.3062 39.3450 175.4640 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 S 8.19 4.00 0.00 3.78 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 2 W 8.31 4.51 0.00 3.79 3.57 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 3 Q 8.47 4.17 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.69 0.00 4 T 7.52 3.82 4.07 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 0.00 0.00 0.78 0.00 0.00 5 Y 7.83 4.15 0.00 3.47 3.10 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 0.00 0.00 0.00 6 V 7.98 3.71 2.20 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 1.25 0.00 0.00 1.19 0.00 0.00 7 D 8.27 4.35 0.00 2.75 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.51 4.08 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 1.17 0.00 0.00 9 N 8.09 4.58 0.00 3.04 2.98 0.00 0.00 6.73 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 10 L 8.07 4.45 0.00 2.01 1.48 1.00 0.75 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 11 V 6.71 3.89 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 1.09 0.00 0.00 0.92 0.00 0.00 12 G 8.11 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 13 T 7.77 3.90 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 14 G 8.06 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 15 A 7.94 4.30 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 16 V 7.37 4.67 2.20 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 1.01 0.00 0.00 0.91 0.00 0.00 17 T 8.72 4.31 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 18 Q 7.44 4.55 0.00 1.19 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.84 0.00 0.00 0.00 0.00 0.00 2.19 2.17 0.00 19 A 8.41 4.81 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 20 A 8.66 5.26 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 21 I 8.93 4.76 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.31 0.37 0.00 0.00 22 L 8.74 4.64 0.00 1.25 1.18 0.84 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 23 G 7.75 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 0.00 0.00 0.00 24 L 8.34 4.22 0.00 1.61 1.68 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 25 D 7.83 4.43 0.00 2.77 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 26 G 8.17 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 0.00 0.00 0.00 27 N 8.25 4.84 0.00 3.07 2.81 0.00 0.00 6.95 6.45 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 28 T 8.30 4.57 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 29 W 8.92 5.00 0.00 3.16 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 30 A 7.56 4.52 1.49 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 31 T 8.75 5.32 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 1.35 0.00 0.00 32 S 9.20 4.58 0.00 3.98 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.66 4.10 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 34 G 8.98 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 0.00 0.00 0.00 35 F 8.46 4.56 0.00 2.85 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 36 A 8.13 4.21 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 37 V 7.77 4.08 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 0.79 0.00 0.00 0.49 0.00 0.00 38 T 8.14 4.05 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 1.17 0.00 0.00 39 P 0.00 4.23 0.00 2.27 2.56 0.00 3.67 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 40 A 7.89 3.94 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 41 Q 8.06 4.05 0.00 2.27 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 42 G 8.36 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 0.00 0.00 0.00 43 Q 8.72 3.96 0.00 2.21 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 44 T 8.19 3.86 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 1.20 0.00 0.00 45 L 7.77 3.61 0.00 1.80 1.75 0.26 1.08 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 46 A 7.85 4.19 1.38 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 47 S 8.18 4.23 0.00 3.86 3.89 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 48 A 7.48 4.31 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 7.60 4.20 0.00 3.28 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 50 N 8.45 5.00 0.00 2.76 2.86 0.00 0.00 6.67 7.99 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 51 N 7.30 4.77 0.00 2.77 2.64 0.00 0.00 7.20 8.03 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 52 A 8.29 4.00 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 53 D 8.15 4.42 0.00 2.99 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 54 P 0.00 4.35 0.00 2.16 2.18 0.00 3.79 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 55 I 8.09 4.21 1.78 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 1.10 1.52 0.82 0.00 0.00 56 R 7.71 3.90 0.00 2.05 2.00 0.00 3.21 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 57 A 8.02 4.25 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 58 S 7.96 4.62 0.00 3.98 3.94 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 0.00 0.00 0.00 59 G 8.24 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 F 7.60 4.94 0.00 3.19 3.06 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 61 D 8.55 5.05 0.00 2.72 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 62 L 9.03 4.29 0.00 1.93 1.84 1.05 1.27 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 63 A 8.58 3.70 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 64 G 8.34 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.66 4.17 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 0.20 0.00 0.00 0.87 0.00 0.00 66 H 8.38 4.85 0.00 3.08 3.02 0.00 5.92 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 7.92 4.74 0.00 1.76 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 68 V 8.53 4.47 2.11 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 0.78 0.00 0.00 1.03 0.00 0.00 69 T 8.54 4.65 4.34 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 1.30 0.00 0.00 70 L 9.34 4.34 0.00 1.66 1.75 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.93 4.88 0.00 1.83 1.93 0.00 2.85 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.79 0.00 72 A 8.42 5.02 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 73 D 8.43 4.68 0.00 2.80 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.88 4.76 0.00 2.83 2.88 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 75 R 9.28 4.39 0.00 1.83 1.95 0.00 3.03 0.00 0.00 3.20 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 76 S 8.50 5.52 0.00 4.06 3.66 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 77 I 8.90 4.91 1.48 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.22 0.53 0.00 0.00 78 Y 9.37 5.19 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 79 G 8.73 4.78 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 80 K 8.86 4.80 0.00 2.13 2.00 0.00 1.40 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.43 7.81 81 K 9.10 4.43 0.00 1.54 1.53 0.00 1.48 0.00 0.00 1.49 0.00 0.00 2.71 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.24 1.25 7.81 82 G 8.67 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 0.00 0.00 0.00 83 S 8.98 4.53 0.00 3.91 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 84 A 7.61 4.44 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 85 G 7.32 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 86 V 7.40 4.89 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.83 0.00 0.00 87 I 8.83 4.35 1.75 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 1.19 0.67 0.30 0.00 0.00 88 T 8.39 5.61 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 1.36 0.00 0.00 89 V 8.28 4.85 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 0.82 0.00 0.00 0.85 0.00 0.00 90 K 8.53 4.47 0.00 0.79 0.87 0.00 1.15 0.00 0.00 1.17 0.00 0.00 2.67 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.01 1.00 7.81 91 T 7.96 4.73 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 1.20 0.00 0.00 92 S 8.50 4.31 0.00 3.80 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 93 K 8.23 4.60 0.00 1.92 2.06 0.00 1.89 0.00 0.00 2.02 0.00 0.00 3.12 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.42 7.81 94 S 7.98 4.28 0.00 3.06 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 95 I 8.14 4.68 1.67 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 0.95 0.36 0.96 0.00 0.00 96 L 8.99 4.82 0.00 1.49 1.55 0.89 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 97 V 8.53 4.57 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.96 0.00 0.00 98 G 9.17 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 8.46 4.73 1.79 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 1.02 0.00 0.00 0.78 0.00 0.00 100 Y 8.22 5.40 0.00 3.09 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 0.00 101 N 8.51 5.32 0.00 2.76 2.97 0.00 0.00 5.67 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 0.00 102 E 9.14 4.30 0.00 2.14 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 0.00 2.31 2.31 0.00 103 K 7.87 4.44 0.00 1.95 1.90 0.00 1.56 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.45 7.81 104 I 7.58 4.47 1.94 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 1.47 0.97 0.89 0.00 0.00 105 Q 8.43 4.05 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 106 P 0.00 3.41 0.00 2.11 1.92 0.00 3.58 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 107 G 8.09 3.59 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 0.00 0.00 0.00 108 T 7.68 3.88 4.36 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 1.18 0.00 0.00 109 A 7.73 3.97 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 0.00 110 A 8.19 3.99 1.49 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 0.00 111 N 8.15 4.22 0.00 3.01 3.01 0.00 0.00 6.83 7.86 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 0.00 112 V 7.45 3.57 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.96 0.00 0.00 113 V 7.80 3.52 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 0.93 0.00 0.00 0.98 0.00 0.00 114 E 8.33 4.01 0.00 2.17 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 0.00 2.38 2.65 0.00 115 K 7.92 4.19 0.00 1.92 1.89 0.00 1.86 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.53 7.81 116 L 8.04 4.05 0.00 1.97 1.79 0.98 1.27 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 0.00 117 A 8.13 3.99 1.38 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 0.00 118 D 8.07 4.31 0.00 2.96 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 0.00 119 Y 8.07 4.00 0.00 3.25 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 0.00 120 L 8.54 4.24 0.00 1.83 2.02 0.82 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 121 I 8.19 3.87 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.69 0.88 0.00 0.00 122 G 7.83 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 0.00 0.00 0.00 123 Q 7.39 4.20 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.03 0.00 0.00 0.00 0.00 0.00 2.17 2.44 0.00 124 G 7.88 3.64 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 0.00 0.00 0.00 125 F 8.37 4.63 0.00 3.21 3.10 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 0.00 0.00 0.00