NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.7749 8.4293 116.2013 55.1923 30.4011 173.2818 2 C 4.1976 8.0014 113.9812 56.7216 30.1214 172.2180 3 D 4.5759 8.4481 118.4243 55.0472 40.2563 175.3657 4 L 4.0885 8.0918 120.3740 57.2434 42.2334 175.7245 5 P 4.5888 0.0000 0.0000 62.2670 32.3460 175.3817 6 C 4.2745 8.4870 113.3963 57.9348 30.5727 174.9632 7 G 3.8790 8.2364 107.6309 45.4042 0.0000 172.9070 8 V 4.1892 7.1094 119.0667 61.0082 32.5392 174.3911 9 Y 4.6318 7.9715 123.6826 56.5601 42.0271 174.6035 10 D 3.7753 7.9176 118.6642 51.7161 43.7988 174.6214 11 P 4.1273 0.0000 0.0000 64.5683 31.1896 178.0630 12 A 3.9811 8.6457 120.7980 55.1594 17.9680 179.6565 13 Q 3.8158 7.9805 116.4238 59.0677 28.7198 178.8703 14 A 4.0589 7.7869 121.2866 54.9652 18.4804 179.3921 15 R 3.8283 8.1796 117.4066 59.7347 30.2516 178.6853 16 I 3.7157 8.0851 119.8855 64.6428 37.1315 178.3560 17 E 4.0106 8.0279 119.0096 59.3118 29.2743 179.2867 18 A 4.0811 8.3119 120.9892 55.0634 18.3563 179.5642 19 E 3.9706 8.5906 117.8011 59.6502 29.4052 179.7149 20 S 4.1343 7.9983 115.2383 61.3224 62.8613 176.7571 21 V 3.5638 7.7587 121.0161 66.0168 31.2186 178.0668 22 K 4.1490 8.0939 119.0554 59.4633 32.0608 178.5423 23 A 4.2898 8.1292 122.4984 54.7100 18.1846 179.7263 24 I 3.7358 8.1325 118.6139 64.6088 37.0523 178.6377 25 Q 4.0267 8.1651 118.9122 59.0511 28.0023 178.7637 26 E 4.0150 8.5419 119.8510 59.3988 29.4942 179.6418 27 K 4.0946 8.2656 118.5174 59.7950 31.6635 179.3759 28 M 4.4081 8.6830 119.1345 58.3795 31.6000 178.6640 29 A 4.1725 8.1079 120.0516 53.9250 18.5231 177.9451 30 A 4.5141 7.5102 117.5160 51.7087 19.3713 176.3173 31 N 4.5711 7.8480 115.6727 53.5315 39.8410 173.0562 32 D 4.7732 8.4969 123.7735 53.8966 41.6129 176.3315 33 D 4.4573 8.2136 118.1710 54.2035 42.5624 176.2021 34 L 3.9389 8.6679 128.5762 59.0603 42.1724 179.1124 35 H 4.1232 8.3100 115.3266 58.6642 28.6829 177.5371 36 F 4.1466 8.7425 122.6766 61.2990 39.2015 177.2092 37 Q 3.9491 8.5516 118.0644 58.9186 28.4440 178.9223 38 I 3.6300 7.9291 120.8579 64.4739 37.1181 178.6752 39 R 3.8048 7.9747 118.5477 59.2187 29.8461 178.9875 40 A 3.7107 7.9560 120.7820 55.3115 18.2795 179.8668 41 T 3.7389 7.9147 114.2477 66.6365 68.5566 177.0324 42 V 3.5526 7.8292 120.1978 66.2310 31.4945 178.2218 43 I 4.0027 7.9181 121.1162 63.5907 36.8778 178.2919 44 K 3.8687 8.3925 121.0385 59.3710 32.0393 178.3704 45 E 3.8986 8.2249 119.5384 59.4256 29.1226 178.9212 46 Q 3.9644 7.8717 117.4713 59.1730 28.8272 179.0419 47 R 4.0163 8.2915 119.0358 59.0277 29.9802 178.9988 48 A 4.0141 8.2453 120.9165 55.0141 18.2853 179.2808 49 E 3.8605 8.1566 117.7928 59.4085 29.6345 179.0910 50 L 3.9119 7.9447 118.7525 57.6057 41.6549 179.3014 51 A 4.0589 8.1633 120.7424 55.1567 18.2611 179.8087 52 K 3.9082 8.2837 117.1531 59.7759 32.0661 178.9807 53 H 4.1293 8.4180 118.5668 59.7009 29.8819 176.9042 54 H 4.1932 8.3040 118.0504 59.0546 28.5576 177.8492 55 L 4.1201 8.0733 120.7013 57.8601 41.4464 179.2686 56 D 4.5728 8.5580 119.3619 57.3370 40.7277 178.9971 57 V 3.7305 8.0961 118.9456 65.9596 31.4849 178.0891 58 L 3.9279 8.0034 118.6000 57.4812 41.2544 179.3334 59 W 4.6189 8.3731 127.3412 60.7344 30.8414 177.7970 60 S 3.9956 8.8118 113.1164 60.4461 62.8647 175.1582 61 D 4.6852 8.3593 121.0304 55.9389 41.7568 177.4112 62 Y 3.4713 7.4767 118.3229 60.0385 39.0610 175.5824 63 F 4.0269 7.9279 118.3373 57.3510 39.5598 174.9289 64 K 4.5998 7.9462 122.9909 53.2683 35.6775 175.1555 65 P 4.4524 0.0000 0.0000 65.9271 31.0138 177.0603 66 P 4.2538 0.0000 0.0000 65.8482 31.0828 178.4403 67 H 4.2868 7.9381 114.9723 59.0468 28.4589 177.9767 68 F 4.2899 7.7180 118.8643 60.1568 38.4818 177.3450 69 E 4.0657 8.0845 118.6957 59.4711 29.6001 178.7295 70 S 4.2290 8.1395 114.0153 60.0389 64.1477 174.1346 71 Y 4.7241 8.0092 119.8276 54.6275 37.7275 174.1362 72 P 4.5203 0.0000 0.0000 63.9737 31.8411 177.8101 73 E 4.4411 8.1101 116.0120 56.5019 30.7427 177.5633 74 L 3.8963 8.3902 122.9508 58.7471 42.1022 178.1997 75 H 4.3766 8.3921 115.5402 59.5346 28.6960 177.7091 76 T 3.8249 7.9280 116.7567 66.3445 68.3292 176.2451 77 L 3.7948 8.1586 122.5208 58.2655 42.1374 179.3264 78 V 3.5539 7.9303 118.2085 65.8574 31.4677 177.4369 79 N 4.0226 8.0031 116.8161 56.7306 38.6939 176.7745 80 E 3.7451 8.3735 120.1211 58.8815 29.3820 179.2527 81 A 3.8750 7.4673 120.9170 55.3276 18.5227 180.1989 82 V 3.5956 7.7737 110.9434 64.3959 31.5654 179.0567 83 K 3.9856 8.0846 118.1801 59.1962 31.8403 179.2711 84 A 4.1011 8.1633 121.4794 55.0610 18.2658 179.7104 85 L 4.0274 7.8693 117.6458 57.9726 41.5523 179.8287 86 S 4.1362 8.1274 115.0762 61.4538 62.4944 176.5861 87 A 3.9932 7.8750 122.5909 55.0249 18.5202 179.2634 88 A 4.1756 7.9975 120.7037 54.5296 18.1599 180.0060 89 K 3.9517 7.8217 116.3312 59.3434 32.1692 178.4031 90 A 4.5011 7.3667 118.3719 51.1798 18.9677 176.6864 91 S 4.6089 7.3130 112.4882 58.0322 65.6000 174.0283 92 T 4.3426 8.3227 113.9569 61.3527 69.6521 173.9499 93 D 4.5032 8.2099 124.2375 53.3055 41.4395 174.9131 94 P 4.4376 0.0000 0.0000 65.6667 31.2416 178.2961 95 A 4.0198 8.7600 120.4663 55.2389 17.8191 179.7630 96 T 3.9866 8.2485 108.7100 64.8768 68.8965 177.1937 97 G 3.7768 8.0801 109.5174 47.0462 0.0000 175.3097 98 Q 3.9831 8.3139 122.0928 58.6855 29.0639 178.1100 99 K 3.7747 8.2137 120.5662 59.3361 32.1052 178.6373 100 A 4.1528 7.8614 120.9381 55.3007 18.3337 179.5688 101 L 3.9615 7.9195 117.4995 58.0696 41.5773 179.5638 102 D 4.3167 8.4452 119.2154 57.5757 40.7463 178.4771 103 Y 4.2809 7.8432 117.1867 61.2014 37.8497 178.5465 104 I 3.8080 8.2924 120.8261 64.3112 37.1589 178.3174 105 A 4.1025 8.2071 121.7687 55.3113 18.3286 179.7513 106 Q 4.0319 7.9734 116.3024 59.1628 28.7519 179.0317 107 I 3.8141 7.9275 120.9893 64.1849 37.1275 177.8855 108 D 4.3905 8.6503 119.4744 57.1935 41.1560 178.1559 109 K 4.0489 8.1759 120.0308 59.8678 32.2704 178.7798 110 I 3.5955 7.6341 119.5542 64.0344 36.6595 178.0409 111 F 4.0719 8.4700 121.0670 61.3974 39.3614 177.1238 112 W 4.1212 8.2220 118.2298 59.6117 28.6584 178.4805 113 E 4.1347 8.3326 118.9616 59.3927 28.6986 179.0163 114 T 4.1234 7.7629 108.2616 63.6433 69.1485 176.3842 115 K 4.0428 7.3068 120.4755 57.2294 32.6025 177.3469 116 K 3.9829 7.6066 119.0972 57.5237 32.7984 176.8825 117 A 4.1806 8.4114 124.4266 52.6738 18.6399 176.3839 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 H 8.43 4.77 0.00 3.25 3.34 0.00 5.47 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 2 C 8.00 4.20 0.00 3.15 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 3 D 8.45 4.58 0.00 2.88 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 4 L 8.09 4.09 0.00 1.62 1.77 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.59 0.00 2.30 2.11 0.00 3.82 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 6 C 8.49 4.27 0.00 3.03 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 7 G 8.24 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 8 V 7.11 4.19 1.78 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 0.71 0.00 0.00 0.85 0.00 0.00 9 Y 7.97 4.63 0.00 2.76 2.33 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 10 D 7.92 3.78 0.00 2.58 2.38 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 11 P 0.00 4.13 0.00 2.28 1.91 0.00 3.07 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.14 0.00 12 A 8.65 3.98 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 13 Q 7.98 3.82 0.00 1.88 1.65 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 2.29 2.28 0.00 14 A 7.79 4.06 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 0.00 0.00 0.00 0.00 0.00 15 R 8.18 3.83 0.00 1.89 2.09 0.00 3.13 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.70 0.00 16 I 8.09 3.72 1.87 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 1.53 1.00 0.92 0.00 0.00 17 E 8.03 4.01 0.00 2.14 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 0.00 2.56 2.56 0.00 18 A 8.31 4.08 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 E 8.59 3.97 0.00 2.25 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 2.34 2.54 0.00 20 S 8.00 4.13 0.00 4.10 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 21 V 7.76 3.56 2.28 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 1.00 0.00 0.00 0.98 0.00 0.00 22 K 8.09 4.15 0.00 1.89 1.80 0.00 1.78 0.00 0.00 1.66 0.00 0.00 3.17 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.62 7.81 23 A 8.13 4.29 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.13 3.74 2.03 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.89 0.90 0.00 0.00 25 Q 8.17 4.03 0.00 2.30 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 26 E 8.54 4.02 0.00 2.20 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 2.63 0.00 27 K 8.27 4.09 0.00 2.17 2.10 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.83 1.76 7.81 28 M 8.68 4.41 0.00 2.10 2.32 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.54 0.00 29 A 8.11 4.17 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 0.00 0.00 0.00 0.00 0.00 30 A 7.51 4.51 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 31 N 7.85 4.57 0.00 2.34 2.46 0.00 0.00 6.96 8.35 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 32 D 8.50 4.77 0.00 2.67 2.65 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 33 D 8.21 4.46 0.00 2.80 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 34 L 8.67 3.94 0.00 1.79 1.65 0.89 1.01 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 35 H 8.31 4.12 0.00 3.46 3.40 0.00 5.87 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 36 F 8.74 4.15 0.00 3.18 3.27 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 0.00 37 Q 8.55 3.95 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.71 2.61 0.00 38 I 7.93 3.63 1.98 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.73 0.88 0.00 0.00 39 R 7.97 3.80 0.00 1.79 1.87 0.00 3.15 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 40 A 7.96 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.91 3.74 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 1.18 0.00 0.00 42 V 7.83 3.55 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.93 0.00 0.00 43 I 7.92 4.00 1.80 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.93 0.89 0.00 0.00 44 K 8.39 3.87 0.00 1.82 1.96 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.44 7.81 45 E 8.22 3.90 0.00 2.30 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 0.00 2.29 2.39 0.00 46 Q 7.87 3.96 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.61 0.00 47 R 8.29 4.02 0.00 1.81 2.10 0.00 3.29 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.79 0.00 48 A 8.25 4.01 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 49 E 8.16 3.86 0.00 2.21 2.13 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 2.29 2.38 0.00 50 L 7.94 3.91 0.00 1.95 1.69 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.16 4.06 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 52 K 8.28 3.91 0.00 1.99 1.87 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.65 7.81 53 H 8.42 4.13 0.00 3.20 3.41 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 54 H 8.30 4.19 0.00 3.37 3.31 0.00 5.67 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 55 L 8.07 4.12 0.00 1.89 1.77 0.95 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.56 4.57 0.00 2.89 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.10 3.73 2.31 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 1.23 0.00 0.00 0.89 0.00 0.00 58 L 8.00 3.93 0.00 2.09 1.70 0.80 0.37 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 59 W 8.37 4.62 0.00 3.52 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.81 4.00 0.00 4.02 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.36 4.69 0.00 2.95 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 62 Y 7.48 3.47 0.00 1.43 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 7.93 4.03 0.00 2.95 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 0.00 0.00 0.00 64 K 7.95 4.60 0.00 1.34 1.51 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.21 1.10 7.81 65 P 0.00 4.45 0.00 2.14 2.17 0.00 3.55 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 66 P 0.00 4.25 0.00 2.00 2.05 0.00 3.33 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 67 H 7.94 4.29 0.00 2.92 3.15 0.00 5.64 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 68 F 7.72 4.29 0.00 3.21 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 69 E 8.08 4.07 0.00 2.06 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 0.00 2.32 2.37 0.00 70 S 8.14 4.23 0.00 3.85 3.46 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 71 Y 8.01 4.72 0.00 3.01 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 72 P 0.00 4.52 0.00 2.21 2.23 0.00 3.42 0.00 0.00 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.94 0.00 73 E 8.11 4.44 0.00 2.19 2.29 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 2.37 2.30 0.00 74 L 8.39 3.90 0.00 1.83 1.91 0.52 -0.15 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 75 H 8.39 4.38 0.00 3.25 3.34 0.00 5.68 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 76 T 7.93 3.82 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 77 L 8.16 3.79 0.00 1.85 1.84 1.07 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 78 V 7.93 3.55 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 0.93 0.00 0.00 1.11 0.00 0.00 79 N 8.00 4.02 0.00 2.71 2.74 0.00 0.00 7.24 6.93 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 80 E 8.37 3.75 0.00 1.32 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 2.15 2.34 0.00 81 A 7.47 3.87 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 0.00 0.00 0.00 0.00 0.00 82 V 7.77 3.60 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.86 0.00 0.00 83 K 8.08 3.99 0.00 1.92 1.80 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.45 7.81 84 A 8.16 4.10 1.55 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 0.00 0.00 85 L 7.87 4.03 0.00 1.92 1.73 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.13 4.14 0.00 4.03 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 87 A 7.87 3.99 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 88 A 8.00 4.18 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 89 K 7.82 3.95 0.00 1.98 2.01 0.00 1.69 0.00 0.00 1.95 0.00 0.00 3.22 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.64 7.81 90 A 7.37 4.50 1.26 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 0.00 0.00 0.00 91 S 7.31 4.61 0.00 3.81 3.77 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 92 T 8.32 4.34 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 1.21 0.00 0.00 93 D 8.21 4.50 0.00 2.71 2.60 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 94 P 0.00 4.44 0.00 2.20 2.11 0.00 3.66 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.08 0.00 95 A 8.76 4.02 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 96 T 8.25 3.99 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 1.22 0.00 0.00 97 G 8.08 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 98 Q 8.31 3.98 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 99 K 8.21 3.77 0.00 1.96 1.97 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.25 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.30 7.81 100 A 7.86 4.15 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 0.00 101 L 7.92 3.96 0.00 1.91 1.74 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 102 D 8.45 4.32 0.00 2.56 2.54 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 0.00 103 Y 7.84 4.28 0.00 3.22 2.91 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 0.00 104 I 8.29 3.81 2.08 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.87 0.94 0.00 0.00 105 A 8.21 4.10 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 7.97 4.03 0.00 2.41 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.56 0.00 107 I 7.93 3.81 2.10 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 1.46 0.83 1.09 0.00 0.00 108 D 8.65 4.39 0.00 2.94 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 K 8.18 4.05 0.00 1.96 2.03 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.57 7.81 110 I 7.63 3.60 1.82 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.72 -0.05 0.00 0.00 111 F 8.47 4.07 0.00 2.91 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 0.00 112 W 8.22 4.12 0.00 3.58 3.27 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 0.00 113 E 8.33 4.13 0.00 2.27 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 2.44 2.70 0.00 114 T 7.76 4.12 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 1.36 0.00 0.00 115 K 7.31 4.04 0.00 1.86 1.89 0.00 1.47 0.00 0.00 0.79 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.50 0.51 7.81 116 K 7.61 3.98 0.00 1.90 1.78 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.71 7.81 117 A 8.41 4.18 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