NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2968 8.3033 121.7408 56.1398 31.4232 174.4961 2 Q 4.1541 8.8139 126.9579 54.7503 28.7403 174.2738 3 L 4.5683 8.3558 125.0346 54.1876 44.0009 176.1549 4 T 4.4615 7.9930 109.8880 60.0265 71.4099 175.2824 5 K 3.4360 8.8402 122.9286 60.4137 32.1427 179.5982 6 C 4.3711 8.0786 115.6704 59.7987 34.2912 175.5711 7 E 3.9161 7.6947 119.9431 58.9946 29.1768 179.0506 8 V 3.6950 7.6073 112.2121 63.8004 31.4289 178.1854 9 F 4.3456 7.8201 119.8611 60.9361 39.0502 177.1997 10 R 3.9821 7.5469 116.4910 59.1312 29.9892 178.6636 11 E 4.1677 7.8605 115.6238 58.0726 29.6182 178.1496 12 L 4.5675 7.5364 118.9506 54.2329 42.4488 178.5993 13 K 3.7813 7.4389 120.4303 59.7561 32.0522 179.1882 14 D 4.2420 8.0184 116.4726 56.6413 40.5783 177.2706 15 L 4.1513 7.5765 118.1562 54.7866 42.1749 175.7210 16 K 3.9737 8.2645 120.9150 58.9391 32.1883 174.3987 17 G 4.3012 9.5105 116.5612 45.6550 0.0000 172.3611 18 Y 3.9604 7.5774 119.2188 58.9790 39.0807 176.6475 19 G 3.7551 9.1065 112.8142 46.1488 0.0000 173.6141 20 G 3.8577 8.5727 106.1608 46.0243 0.0000 174.0993 21 V 4.3761 7.8505 112.4192 58.9871 34.4724 175.3866 22 S 5.1171 8.5155 117.9533 56.5283 65.3532 175.0429 23 L 4.2340 8.8557 122.1179 58.1557 41.3505 177.9838 24 P 4.5149 0.0000 0.0000 65.9984 31.1261 178.4634 25 E 3.9202 8.3119 117.2429 59.0111 29.3095 179.4037 26 W 4.2499 7.8991 118.6190 59.5891 29.1517 178.5072 27 V 3.7400 8.4518 118.7024 66.1927 31.0634 177.1812 28 C 2.0000 7.4737 117.4732 59.2642 38.1304 175.5104 29 T 3.7657 7.9162 117.8057 66.9937 68.0200 176.7960 30 T 3.9344 8.4123 111.7613 64.4305 68.6891 176.4378 31 F 3.2503 7.7139 123.6085 61.0416 39.1894 176.1855 32 H 4.1753 7.7563 112.4154 56.8193 28.7365 176.6211 33 T 4.4431 7.1808 117.7584 64.7039 69.5487 175.5863 34 S 4.4595 7.7311 111.2588 56.7143 64.5350 174.1951 35 G 3.2594 8.1364 108.3679 47.0651 0.0000 174.1270 36 Y 3.7475 7.7519 113.2851 58.2888 35.6161 168.6360 37 D 4.9405 7.8773 121.2384 53.1874 41.2243 176.9984 38 T 4.1638 8.5923 117.8119 63.4365 69.6638 175.5779 39 Q 4.7543 8.6909 120.4816 55.4978 29.9671 175.6788 40 A 4.1305 7.9042 123.1272 52.4082 19.5462 177.1917 41 I 4.8240 8.2790 122.3035 59.5255 40.6312 174.9115 42 V 4.3312 8.4316 127.3193 60.9194 34.3646 173.7673 43 Q 4.9573 8.6691 129.1330 54.4437 30.4732 174.6997 44 N 4.6270 9.2122 124.4208 51.6925 38.5384 172.9431 45 N 3.8470 9.3939 119.3865 55.6840 37.1412 172.6694 46 D 4.2721 7.9480 122.3511 52.8391 39.9242 173.2731 47 S 4.7990 6.8400 110.2771 58.1001 65.9696 174.8935 48 T 5.0398 8.8346 125.0394 61.8152 71.2276 173.0229 49 E 5.3927 9.0436 125.4450 54.8536 32.6395 174.6274 50 Y 5.1034 9.4466 121.4962 57.4106 41.9435 177.7646 51 G 4.2458 8.8968 111.0539 44.5963 0.0000 173.5638 52 L 3.9324 8.5494 118.5966 57.0266 41.9275 178.6091 53 F 4.8025 8.0716 113.8516 56.6971 40.1764 175.1311 54 Q 3.6006 7.7597 119.0116 56.9656 26.5305 174.0649 55 I 4.2116 8.0845 119.3605 60.6485 38.1697 176.5629 56 N 5.9385 9.2412 122.1236 51.9672 38.3691 175.1028 57 N 5.6272 8.7375 114.9870 52.2817 37.6534 175.8934 58 K 4.1968 8.3537 122.0702 58.8684 32.9119 178.3335 59 I 3.8430 8.4814 117.5070 61.8465 39.8661 177.6060 60 W 4.4557 7.9191 119.5219 58.5675 29.8424 174.6355 61 C 5.8280 8.2216 110.4125 53.5077 46.5862 173.1410 62 K 5.1242 8.6551 118.3943 55.1965 35.3335 174.6938 63 D 5.1240 8.3442 120.2840 51.5280 42.5208 174.8728 64 D 4.4441 8.9659 117.4505 57.1023 40.8956 177.4904 65 Q 4.2641 7.8934 116.6691 55.4444 30.7589 174.9952 66 N 4.0357 8.5816 116.2924 54.5132 36.9540 173.3175 67 P 4.4717 0.0000 0.0000 64.7306 32.1338 177.5195 68 H 4.6327 8.0085 114.1428 55.9170 29.2216 175.0110 69 S 4.0143 7.5139 113.9658 57.6475 63.0324 174.1814 70 S 3.9717 8.0130 120.9059 60.0027 62.9681 174.0126 71 N 4.1846 8.0390 117.3387 54.7210 37.2257 174.9728 72 I 3.7733 8.0764 119.2523 64.2868 37.8270 177.2288 73 C 4.5465 8.6618 116.0513 56.4117 40.9082 172.8890 74 N 4.0566 8.0143 117.8234 53.5201 37.3451 172.5928 75 I 4.3181 8.3920 118.5106 59.8079 42.1929 172.9542 76 S 4.6358 8.1771 119.6424 57.6762 63.0502 175.8037 77 C 3.6913 8.5206 125.4417 59.9497 40.8127 176.0238 78 D 4.1266 7.7320 120.0730 57.2705 40.1550 178.5671 79 K 4.0120 7.5721 117.4738 58.3524 31.7573 178.1662 80 F 5.4875 7.7060 118.8021 56.9510 38.9469 176.4104 81 L 4.9782 8.1586 117.5461 53.7241 42.4424 176.0501 82 D 4.8740 7.7434 118.6972 52.1681 41.7333 175.3666 83 D 4.4486 8.4849 117.0342 55.8263 41.3143 176.1206 84 D 4.5712 7.8188 119.1973 53.4448 40.9327 175.8890 85 L 4.7695 8.3287 127.5796 54.9143 41.6405 178.7009 86 T 3.8458 7.8192 117.6379 66.9111 68.3058 176.0978 87 D 4.3872 8.0347 120.1592 56.6009 39.6459 177.7579 88 D 4.2052 8.4421 120.0558 57.3732 40.8518 179.0636 89 I 3.2786 7.6911 119.6572 64.3732 36.5749 178.0834 90 M 3.8300 7.6935 119.5272 58.8643 31.9495 178.1216 91 C 4.2845 8.4362 118.5214 59.5380 44.3989 175.6655 92 V 3.1957 7.2521 119.8279 65.8081 30.8618 178.1294 93 K 3.5159 7.5808 118.1071 59.1990 31.7460 179.4326 94 K 4.0033 7.5386 117.6091 59.6007 31.9535 179.4965 95 I 2.9372 7.1915 119.8380 63.7892 36.7260 178.6011 96 L 4.1145 8.0608 120.0869 58.1198 41.3686 179.3479 97 D 4.4726 8.3794 117.5487 56.7936 40.7200 178.6698 98 K 4.3737 7.8352 118.2788 58.2633 32.7473 177.8630 99 V 4.2759 8.0941 114.0890 61.3066 32.7171 176.1394 100 G 4.0215 8.3764 108.9388 45.2050 0.0000 174.2537 101 I 4.0524 8.1275 117.1664 63.4066 37.9116 176.9069 102 N 4.7510 8.1765 115.6903 54.9913 38.5513 175.2792 103 Y 3.9130 7.8326 119.6507 59.3277 38.9961 175.5534 104 W 4.4376 8.1748 119.8846 54.5619 29.0751 176.3891 105 L 3.9355 8.5153 124.6765 57.7134 41.7418 179.7108 106 A 3.9800 8.4361 121.0610 55.7070 18.6951 179.0637 107 H 4.2010 8.5592 115.0533 59.2383 30.2845 177.7119 108 K 4.3427 7.7699 119.5850 58.9417 32.4588 176.1375 109 A 4.4536 7.7701 116.8717 53.6518 21.3905 176.8411 110 L 4.1883 7.5022 113.8965 57.1680 42.2400 176.1741 111 C 5.0873 7.5312 114.6024 57.7012 41.0723 174.5180 112 S 4.5704 8.1533 112.1427 58.1255 63.3931 173.5298 113 E 4.6569 7.7509 119.2390 55.6318 33.2349 174.4368 114 K 4.0716 8.7995 115.7490 57.2559 29.9143 177.8389 115 L 4.1320 7.5662 121.0005 57.8294 41.4230 178.7893 116 D 4.4722 7.6352 119.3953 57.4984 40.6060 179.3209 117 Q 3.9261 7.8790 115.1322 57.9822 28.7467 177.1757 118 W 4.8669 8.3196 119.9596 56.2580 29.7779 175.9785 119 L 3.9229 7.3825 121.1046 54.4955 40.6873 175.8625 120 C 4.2606 7.4063 130.6910 55.7408 41.8586 172.9926 121 E 4.2214 7.8974 119.7120 55.6732 27.9645 178.2391 122 K 4.2550 8.0838 125.5641 54.4101 32.6254 175.1132 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 E 8.30 4.30 0.00 2.19 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 2.29 2.37 0.00 2 Q 8.81 4.15 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 3 L 8.36 4.57 0.00 1.50 1.48 1.06 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 4 T 7.99 4.46 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 1.22 0.00 0.00 5 K 8.84 3.44 0.00 1.97 1.88 0.00 1.84 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.66 2.03 7.81 6 C 8.08 4.37 0.00 3.00 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 7 E 7.69 3.92 0.00 2.08 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 2.27 2.33 0.00 8 V 7.61 3.69 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 0.41 0.00 0.00 0.84 0.00 0.00 9 F 7.82 4.35 0.00 2.94 3.36 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 10 R 7.55 3.98 0.00 2.13 1.91 0.00 3.20 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 11 E 7.86 4.17 0.00 1.91 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 2.59 0.00 12 L 7.54 4.57 0.00 1.68 1.51 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.44 3.78 0.00 1.76 1.76 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.71 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.20 1.42 7.81 14 D 8.02 4.24 0.00 2.55 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 15 L 7.58 4.15 0.00 1.71 1.54 -0.30 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.26 3.97 0.00 1.73 1.83 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.45 7.81 17 G 9.51 4.30 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 18 Y 7.58 3.96 0.00 3.12 2.94 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 19 G 9.11 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.57 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 21 V 7.85 4.38 1.63 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 0.58 0.00 0.00 1.21 0.00 0.00 22 S 8.52 5.12 0.00 4.09 4.01 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 23 L 8.86 4.23 0.00 2.06 2.20 0.22 1.06 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 24 P 0.00 4.51 0.00 2.25 2.24 0.00 3.66 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 25 E 8.31 3.92 0.00 2.09 1.72 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 2.49 2.31 0.00 26 W 7.90 4.25 0.00 3.53 3.17 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 27 V 8.45 3.74 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 1.33 0.00 0.00 1.31 0.00 0.00 28 C 7.47 2.00 0.00 1.71 2.79 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 29 T 7.92 3.77 4.18 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 1.16 0.00 0.00 30 T 8.41 3.93 4.16 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 1.04 0.00 0.00 31 F 7.71 3.25 0.00 2.31 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 32 H 7.76 4.18 0.00 3.13 3.29 0.00 5.89 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.18 4.44 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 34 S 7.73 4.46 0.00 3.89 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 0.00 35 G 8.14 3.26 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 0.00 36 Y 7.75 3.75 0.00 3.32 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 37 D 7.88 4.94 0.00 2.73 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 38 T 8.59 4.16 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 1.27 0.00 0.00 39 Q 8.69 4.75 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.84 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 40 A 7.90 4.13 1.31 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 41 I 8.28 4.82 1.80 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 1.15 0.94 0.62 0.00 0.00 42 V 8.43 4.33 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 0.99 0.00 0.00 0.91 0.00 0.00 43 Q 8.67 4.96 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 44 N 9.21 4.63 0.00 2.73 2.75 0.00 0.00 7.15 8.08 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 45 N 9.39 3.85 0.00 2.78 2.80 0.00 0.00 7.28 8.47 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 46 D 7.95 4.27 0.00 2.79 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 47 S 6.84 4.80 0.00 3.88 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 48 T 8.83 5.04 4.35 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 0.74 0.00 0.00 49 E 9.04 5.39 0.00 1.98 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 2.33 2.29 0.00 50 Y 9.45 5.10 0.00 3.04 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 51 G 8.90 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 0.00 0.00 0.00 0.00 52 L 8.55 3.93 0.00 1.44 1.30 0.89 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.07 4.80 0.00 3.10 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 54 Q 7.76 3.60 0.00 2.38 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.81 0.00 0.00 0.00 0.00 0.00 2.49 2.63 0.00 55 I 8.08 4.21 1.86 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.55 1.05 0.00 0.00 56 N 9.24 5.94 0.00 3.14 3.15 0.00 0.00 6.55 7.34 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 57 N 8.74 5.63 0.00 2.97 3.26 0.00 0.00 6.34 7.13 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 58 K 8.35 4.20 0.00 1.86 2.13 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.46 7.81 59 I 8.48 3.84 0.92 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.52 -0.30 0.00 0.00 60 W 7.92 4.46 0.00 3.62 3.26 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 61 C 8.22 5.83 0.00 3.10 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 62 K 8.66 5.12 0.00 1.81 1.90 0.00 1.23 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.25 1.28 7.81 63 D 8.34 5.12 0.00 2.63 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.97 4.44 0.00 2.70 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 65 Q 7.89 4.26 0.00 2.27 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.48 0.00 0.00 0.00 0.00 0.00 2.38 2.33 0.00 66 N 8.58 4.04 0.00 2.83 2.74 0.00 0.00 6.98 7.71 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 67 P 0.00 4.47 0.00 2.05 2.07 0.00 3.58 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.16 0.00 68 H 8.01 4.63 0.00 3.11 3.29 0.00 5.76 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 69 S 7.51 4.01 0.00 4.22 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 70 S 8.01 3.97 0.00 3.58 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 71 N 8.04 4.18 0.00 2.97 2.72 0.00 0.00 7.21 7.93 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 72 I 8.08 3.77 1.79 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.51 1.06 0.00 0.00 73 C 8.66 4.55 0.00 3.44 3.32 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 74 N 8.01 4.06 0.00 2.77 2.78 0.00 0.00 6.84 7.50 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 75 I 8.39 4.32 1.94 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.80 0.75 0.00 0.00 76 S 8.18 4.64 0.00 3.77 3.54 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 77 C 8.52 3.69 0.00 2.11 1.67 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 0.00 0.00 0.00 0.00 78 D 7.73 4.13 0.00 2.55 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 79 K 7.57 4.01 0.00 1.41 1.95 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.30 1.47 7.81 80 F 7.71 5.49 0.00 3.30 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 81 L 8.16 4.98 0.00 1.94 1.77 1.28 1.17 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 82 D 7.74 4.87 0.00 2.78 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 83 D 8.48 4.45 0.00 2.70 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 84 D 7.82 4.57 0.00 2.58 2.62 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 85 L 8.33 4.77 0.00 1.74 1.71 0.94 0.95 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 86 T 7.82 3.85 4.35 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 1.20 0.00 0.00 87 D 8.03 4.39 0.00 3.09 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 88 D 8.44 4.21 0.00 3.06 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 89 I 7.69 3.28 1.87 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 1.33 0.81 0.61 0.00 0.00 90 M 7.69 3.83 0.00 2.02 2.33 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.78 0.00 91 C 8.44 4.28 0.00 3.16 2.94 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 92 V 7.25 3.20 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 0.31 0.00 0.00 -0.37 0.00 0.00 93 K 7.58 3.52 0.00 1.66 1.26 0.00 1.37 0.00 0.00 1.05 0.00 0.00 2.46 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.30 1.01 7.81 94 K 7.54 4.00 0.00 2.02 2.00 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.69 7.81 95 I 7.19 2.94 1.55 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.07 -0.27 0.00 0.00 96 L 8.06 4.11 0.00 2.02 1.94 1.25 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.38 4.47 0.00 2.74 2.83 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 98 K 7.84 4.37 0.00 2.15 2.14 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.65 1.93 7.81 99 V 8.09 4.28 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 0.92 0.00 0.00 1.22 0.00 0.00 100 G 8.38 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 0.00 0.00 0.00 101 I 8.13 4.05 1.74 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.90 0.83 0.00 0.00 102 N 8.18 4.75 0.00 2.83 2.91 0.00 0.00 6.89 7.46 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 0.00 103 Y 7.83 3.91 0.00 2.63 2.36 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 0.00 104 W 8.17 4.44 0.00 3.56 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 0.00 105 L 8.52 3.94 0.00 1.69 1.72 0.87 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.44 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 0.00 107 H 8.56 4.20 0.00 2.99 3.41 0.00 5.63 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 7.77 4.34 0.00 1.92 1.89 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.61 7.81 109 A 7.77 4.45 1.22 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 0.00 0.00 0.00 110 L 7.50 4.19 0.00 1.60 1.86 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 111 C 7.53 5.09 0.00 2.88 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 0.00 112 S 8.15 4.57 0.00 3.73 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 4.66 0.00 1.99 1.80 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 2.30 2.32 0.00 114 K 8.80 4.07 0.00 1.97 1.86 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.40 7.81 115 L 7.57 4.13 0.00 1.87 1.86 0.98 1.03 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 0.00 116 D 7.64 4.47 0.00 2.74 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 0.00 117 Q 7.88 3.93 0.00 1.79 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.92 0.00 0.00 0.00 0.00 0.00 1.97 1.61 0.00 118 W 8.32 4.87 0.00 3.43 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 0.00 119 L 7.38 3.92 0.00 1.60 1.76 0.87 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 120 C 7.41 4.26 0.00 2.73 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 0.00 121 E 7.90 4.22 0.00 2.03 1.77 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 2.23 1.87 0.00 122 K 8.08 4.25 0.00 1.72 1.52 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.26 1.00 7.81