NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4391 8.1476 118.2011 55.5624 32.7333 175.9113 2 H 4.1236 8.4427 112.0006 56.5494 28.5552 174.1938 3 H 3.7121 8.4323 120.8503 56.3672 28.9703 175.4816 4 H 4.7230 8.0941 114.6474 55.9985 29.2376 174.9684 5 H 4.5915 7.4994 115.4056 55.4220 29.4955 174.0823 6 H 5.0008 8.3651 115.6717 54.9103 32.7646 174.6731 7 H 4.8914 8.3482 118.7525 54.9454 29.0845 175.9077 8 G 3.8731 7.5765 111.9850 45.3585 0.0000 171.8654 9 E 3.8842 7.7554 119.9883 57.2935 30.6064 175.7168 10 F 4.8936 7.8688 117.6855 56.0797 41.7008 175.0843 11 Q 4.9803 8.7502 122.6325 54.3863 32.1120 173.8391 12 I 5.6606 8.1365 111.8970 59.2194 41.7304 173.8593 13 F 4.8178 8.9676 119.9255 55.5164 42.1757 174.3921 14 A 5.2086 9.5203 125.1651 49.9256 22.2674 174.7701 15 K 5.0068 8.8408 123.1830 54.4424 34.9927 175.9580 16 T 5.0681 8.7444 118.2985 61.0544 69.7222 174.9754 17 L 4.0576 8.6285 124.1718 58.6058 41.8838 178.5107 18 T 3.9016 8.0101 107.1024 63.2804 68.8672 174.8628 19 G 3.9853 8.1689 110.9685 45.0061 0.0000 172.8159 20 K 4.2470 8.6015 122.4983 55.9243 33.2698 175.9090 21 T 4.8174 8.5351 124.6509 63.1049 69.6373 174.2733 22 I 4.5671 9.4171 127.2035 59.7851 41.2395 174.2653 23 T 4.4560 8.3577 123.4637 61.4088 70.4079 173.8513 24 L 4.7105 8.0162 126.0343 53.7882 44.1616 175.7328 25 E 4.3739 8.7903 121.5934 56.2984 29.7777 175.5910 26 V 4.6403 7.7409 119.0225 59.7144 35.6858 174.9964 27 E 4.7814 8.4693 119.3039 54.7631 31.6736 177.4839 28 S 4.1149 8.5976 115.4273 60.5612 63.0130 175.1637 29 S 4.6975 7.7118 112.7693 57.2723 63.6763 173.2257 30 D 4.3428 7.6619 121.6128 55.0947 41.7556 176.0499 31 T 4.8884 8.0534 114.4403 60.0545 72.1105 175.7439 32 I 3.6254 7.8656 122.1847 64.9837 37.1611 178.1459 33 D 4.4298 8.2262 118.8020 57.9266 40.6494 179.0378 34 N 4.3246 7.8815 116.2019 56.1014 38.2968 177.7675 35 V 3.5537 7.8575 119.1373 66.2129 31.9892 177.7672 36 K 3.9791 8.9812 119.4655 59.2662 31.8682 178.7983 37 S 4.0504 8.3588 112.9531 61.9062 61.8410 176.6814 38 K 3.8217 8.0966 120.6658 59.7756 31.6603 179.0227 39 I 3.7187 8.2502 119.3048 63.9495 37.9185 177.8016 40 Q 4.0236 8.0855 119.9901 58.8836 27.9685 178.2541 41 D 4.5555 7.6803 117.5614 56.1084 41.2668 177.7349 42 K 4.2814 7.7058 117.6786 57.9602 32.9045 177.1110 43 E 4.5119 8.6307 115.3083 55.4289 30.6150 176.2594 44 G 4.3061 8.5413 112.4708 45.6445 0.0000 174.9530 45 I 3.5369 7.5010 119.2874 60.8828 37.5722 173.4274 46 P 4.6388 0.0000 0.0000 61.4062 32.2847 175.4555 47 P 4.2374 0.0000 0.0000 65.9890 31.0789 178.2635 48 D 4.3823 8.0866 116.8760 55.2876 39.5848 176.5613 49 Q 4.3073 8.3055 120.1716 56.2742 29.7577 174.2667 50 Q 4.8159 7.7270 116.8159 54.8050 30.3522 175.0891 51 R 4.7466 8.5455 122.8434 54.4324 33.8251 174.2652 52 L 5.1023 8.4351 123.1890 53.0792 44.8706 175.2218 53 I 4.9466 8.4745 125.1858 59.1976 39.3753 175.3571 54 W 4.8337 9.0666 135.0000 56.7691 34.4584 174.1718 55 A 2.8343 7.8732 125.8670 53.5585 14.9309 178.1497 56 G 3.8489 7.7963 105.4817 45.9266 0.0000 172.8063 57 K 4.5674 7.4638 120.1775 54.1319 34.8336 174.7519 58 Q 4.5306 8.5418 124.1969 55.3741 29.3502 175.7479 59 L 4.2415 8.7743 125.9593 54.7458 42.0770 176.8959 60 E 4.3100 8.8574 123.6513 55.6724 30.4015 177.5297 61 D 4.1792 9.1371 123.7747 57.4205 41.0188 178.0121 62 G 3.9318 7.9422 105.1442 45.5402 0.0000 173.8972 63 R 4.2737 9.0098 121.0087 55.6832 31.3054 175.6263 64 T 5.0902 7.9715 109.4160 59.5805 72.0117 175.3094 65 L 4.0037 8.6851 122.3212 57.7863 41.9699 179.7685 66 S 4.2557 7.9006 111.5755 59.7030 63.3332 175.0928 67 D 4.2381 7.2520 120.0151 57.8536 40.9093 176.4348 68 Y 4.0752 7.8419 116.8454 57.2215 39.0177 174.6306 69 N 4.2188 7.9198 115.2410 54.8827 37.7175 173.7028 70 I 3.5977 7.4473 117.4684 61.0885 37.6576 176.8762 71 Q 4.3253 8.4289 132.1846 56.0253 29.5792 175.8006 72 R 4.5975 8.5654 107.9090 57.2568 31.3792 177.0690 73 E 4.3685 8.0070 118.4761 55.8801 28.8800 176.0163 74 S 4.9160 7.7000 113.8170 56.9982 66.9443 175.2054 75 T 4.7403 8.6698 119.0460 62.3986 68.7392 174.5215 76 L 4.3593 9.8375 128.9915 53.9758 42.1350 175.5161 77 H 4.6147 9.1950 124.5936 56.3431 30.9515 173.3191 78 L 5.1057 8.7761 128.9315 53.4358 44.9073 175.4194 79 V 4.6728 8.4478 118.0135 59.3377 34.8438 174.8530 80 L 4.4525 8.5968 126.3760 54.5050 41.9788 177.5028 81 R 4.2852 8.2949 123.4032 55.9060 31.5459 176.6286 82 L 4.3706 8.1092 121.6002 54.3899 43.2359 175.1447 83 R 4.2631 8.5722 126.0879 57.8206 31.1624 178.3648 84 G 3.8594 7.7659 106.3030 44.6369 0.0000 172.4216 85 G 3.6555 8.6630 109.3111 45.6550 0.0000 173.5658 86 S 4.0738 8.7987 120.4659 59.3374 63.2213 174.7048 87 M 4.0318 8.8992 124.7838 56.5370 32.4040 175.8137 88 G 3.9496 8.4926 106.4543 46.8276 0.0000 172.8874 89 G 4.1282 7.8322 109.7367 44.1711 0.0000 172.7366 90 A 4.0029 8.9790 121.7160 54.7369 18.7148 177.6560 91 A 4.7697 7.7597 116.8222 50.5422 20.4201 174.5542 92 D 4.7152 7.9133 120.6349 54.5058 44.4008 175.5701 93 E 4.6655 8.1752 119.7084 57.3620 35.4567 176.0133 94 E 4.4703 8.1605 115.5589 57.6631 31.1561 177.4795 95 E 4.1478 8.0253 116.6646 57.6620 29.5465 177.9510 96 L 4.2110 7.8216 119.5388 57.3924 41.6389 178.6973 97 I 3.9494 7.8341 121.5843 64.0292 37.5028 178.0425 98 R 3.9700 7.9136 116.6261 59.1209 29.1174 178.6421 99 K 4.0289 7.9240 119.3472 59.4869 31.3661 179.0022 100 A 4.0624 7.8468 120.7592 54.2403 18.2229 179.0426 101 I 4.1692 7.6669 117.5724 62.8138 37.5528 177.1931 102 E 4.3658 7.7632 117.1692 57.4032 29.7863 177.0746 103 L 4.3137 8.0039 119.7453 56.4847 41.3114 177.3411 104 S 4.5117 7.6536 117.3157 58.0178 64.4333 175.8344 105 L 4.1489 7.2604 119.4012 56.3232 41.8372 178.5408 106 K 3.9031 7.8378 118.9627 60.1698 31.8067 178.2221 107 E 3.8707 8.1437 119.4746 59.4551 29.6767 178.5849 108 S 4.1564 8.4993 114.3879 61.2630 63.0361 176.3674 109 R 4.0178 7.6940 121.7316 58.8081 29.9180 177.6592 110 N 4.3924 8.4517 117.6570 56.2343 38.3780 176.8343 111 S 4.2821 7.8152 114.4679 60.8434 62.7523 175.9085 112 G 3.9918 7.8106 107.4284 45.6058 0.0000 175.1813 113 G 3.6851 7.9002 108.0253 45.7891 0.0000 173.0670 114 Y 3.5843 7.4670 125.4564 57.9460 40.3952 168.5570 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 M 8.15 4.44 0.00 2.21 2.35 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 2 H 8.44 4.12 0.00 3.44 3.46 0.00 5.67 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 H 8.43 3.71 0.00 3.01 2.78 0.00 5.63 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 4 H 8.09 4.72 0.00 3.07 3.26 0.00 5.70 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 H 7.50 4.59 0.00 3.23 3.39 0.00 5.69 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 6 H 8.37 5.00 0.00 3.18 3.21 0.00 5.73 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 7 H 8.35 4.89 0.00 3.21 3.26 0.00 5.72 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 8 G 7.58 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 9 E 7.76 3.88 0.00 1.60 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 2.05 1.99 0.00 10 F 7.87 4.89 0.00 3.02 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.75 4.98 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 12 I 8.14 5.66 1.89 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.63 0.92 0.00 0.00 13 F 8.97 4.82 0.00 3.14 3.05 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 14 A 9.52 5.21 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 15 K 8.84 5.01 0.00 1.90 1.61 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.43 7.81 16 T 8.74 5.07 4.23 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 1.20 0.00 0.00 17 L 8.63 4.06 0.00 1.69 1.75 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.01 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 1.21 0.00 0.00 19 G 8.17 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 20 K 8.60 4.25 0.00 1.78 1.70 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.57 7.81 21 T 8.54 4.82 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 1.49 0.00 0.00 22 I 9.42 4.57 1.82 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 1.21 1.16 0.85 0.00 0.00 23 T 8.36 4.46 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 0.61 0.00 0.00 24 L 8.02 4.71 0.00 1.57 1.63 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.79 4.37 0.00 1.82 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 2.26 2.35 0.00 26 V 7.74 4.64 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 0.64 0.00 0.00 0.92 0.00 0.00 27 E 8.47 4.78 0.00 2.05 1.85 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 2.30 2.20 0.00 28 S 8.60 4.11 0.00 3.79 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 29 S 7.71 4.70 0.00 3.94 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 7.66 4.34 0.00 3.03 2.59 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 31 T 8.05 4.89 4.23 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 1.20 0.00 0.00 32 I 7.87 3.63 2.03 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 1.75 1.15 0.91 0.00 0.00 33 D 8.23 4.43 0.00 2.75 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 34 N 7.88 4.32 0.00 3.01 2.98 0.00 0.00 6.60 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 35 V 7.86 3.55 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 0.75 0.00 0.00 0.99 0.00 0.00 36 K 8.98 3.98 0.00 1.85 1.79 0.00 2.00 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.53 7.81 37 S 8.36 4.05 0.00 3.95 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 38 K 8.10 3.82 0.00 2.11 1.83 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.44 1.53 7.81 39 I 8.25 3.72 2.05 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 1.55 1.60 0.98 0.00 0.00 40 Q 8.09 4.02 0.00 2.58 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 41 D 7.68 4.56 0.00 2.69 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 42 K 7.71 4.28 0.00 1.87 1.80 0.00 1.59 0.00 0.00 1.90 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.52 7.81 43 E 8.63 4.51 0.00 1.84 1.91 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 2.21 2.19 0.00 44 G 8.54 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 0.00 0.00 0.00 0.00 45 I 7.50 3.54 2.00 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 1.45 1.33 0.95 0.00 0.00 46 P 0.00 4.64 0.00 2.49 1.96 0.00 3.61 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 47 P 0.00 4.24 0.00 2.21 2.40 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 48 D 8.09 4.38 0.00 2.79 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 49 Q 8.31 4.31 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 50 Q 7.73 4.82 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.43 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 51 R 8.55 4.75 0.00 1.89 1.89 0.00 3.04 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 52 L 8.44 5.10 0.00 1.58 1.56 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 53 I 8.47 4.95 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.50 0.93 0.00 0.00 54 W 9.07 4.83 0.00 3.12 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 55 A 7.87 2.83 0.64 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 56 G 7.80 3.85 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 0.00 0.00 0.00 57 K 7.46 4.57 0.00 1.84 1.64 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.38 7.81 58 Q 8.54 4.53 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 59 L 8.77 4.24 0.00 1.70 1.65 0.97 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.86 4.31 0.00 1.95 1.87 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 2.40 2.36 0.00 61 D 9.14 4.18 0.00 2.67 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 62 G 7.94 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 R 9.01 4.27 0.00 1.80 1.87 0.00 3.30 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 64 T 7.97 5.09 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 1.21 0.00 0.00 65 L 8.69 4.00 0.00 1.66 1.77 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 66 S 7.90 4.26 0.00 3.96 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 67 D 7.25 4.24 0.00 2.82 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 68 Y 7.84 4.08 0.00 3.02 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 69 N 7.92 4.22 0.00 2.86 2.92 0.00 0.00 7.10 7.62 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 70 I 7.45 3.60 1.82 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.38 0.62 0.00 0.00 71 Q 8.43 4.33 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.09 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 72 R 8.57 4.60 0.00 2.29 2.34 0.00 3.48 0.00 0.00 3.45 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 73 E 8.01 4.37 0.00 2.02 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 0.00 2.32 2.34 0.00 74 S 7.70 4.92 0.00 3.84 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 75 T 8.67 4.74 4.42 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 1.37 0.00 0.00 76 L 9.84 4.36 0.00 1.68 1.66 0.80 0.80 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 77 H 9.20 4.61 0.00 3.37 3.43 0.00 5.83 0.00 0.00 0.00 0.00 6.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.78 5.11 0.00 1.76 1.48 0.92 1.09 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 79 V 8.45 4.67 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 0.94 0.00 0.00 0.98 0.00 0.00 80 L 8.60 4.45 0.00 1.53 1.62 0.92 1.04 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 81 R 8.29 4.29 0.00 1.89 1.89 0.00 3.15 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 82 L 8.11 4.37 0.00 1.56 1.52 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.57 4.26 0.00 1.84 1.96 0.00 3.43 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 1.59 1.56 0.00 84 G 7.77 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 85 G 8.66 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 0.00 0.00 0.00 86 S 8.80 4.07 0.00 3.87 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 87 M 8.90 4.03 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 88 G 8.49 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 0.00 0.00 0.00 89 G 7.83 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 0.00 0.00 0.00 90 A 8.98 4.00 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 91 A 7.76 4.77 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 92 D 7.91 4.72 0.00 2.89 2.49 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 93 E 8.18 4.67 0.00 2.12 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 2.19 2.24 0.00 94 E 8.16 4.47 0.00 2.14 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 2.27 2.21 0.00 95 E 8.03 4.15 0.00 2.14 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 0.00 2.36 2.46 0.00 96 L 7.82 4.21 0.00 1.91 1.96 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 97 I 7.83 3.95 2.06 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 1.71 1.06 0.97 0.00 0.00 98 R 7.91 3.97 0.00 2.03 2.19 0.00 2.96 0.00 0.00 3.39 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.69 0.00 99 K 7.92 4.03 0.00 1.97 2.20 0.00 1.57 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.46 7.81 100 A 7.85 4.06 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 0.00 101 I 7.67 4.17 1.98 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 1.38 0.78 0.91 0.00 0.00 102 E 7.76 4.37 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 103 L 8.00 4.31 0.00 1.77 1.69 0.97 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 104 S 7.65 4.51 0.00 3.67 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.26 4.15 0.00 1.75 1.58 0.53 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 106 K 7.84 3.90 0.00 2.00 2.21 0.00 1.17 0.00 0.00 1.53 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.58 7.81 107 E 8.14 3.87 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 108 S 8.50 4.16 0.00 3.86 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 0.00 109 R 7.69 4.02 0.00 1.81 2.03 0.00 3.33 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 110 N 8.45 4.39 0.00 2.92 2.90 0.00 0.00 6.80 7.23 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 0.00 111 S 7.82 4.28 0.00 4.11 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 0.00 112 G 7.81 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 0.00 113 G 7.90 3.69 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 0.00 0.00 0.00 114 Y 7.47 3.58 0.00 3.19 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