NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2027 8.1727 122.0538 56.3031 34.0792 173.8785 2 V 4.5425 8.2189 127.3738 60.7900 32.3492 174.6105 3 F 4.2796 10.1412 129.2488 57.5563 40.2235 174.7966 4 E 4.2634 8.8671 120.7619 55.5525 31.0141 176.8512 5 R 3.3126 8.9454 121.6471 60.6691 29.9677 179.5420 6 C 4.3337 8.0085 115.2945 59.7028 34.4908 175.7206 7 E 3.9074 8.1091 120.7145 59.1910 29.2203 178.4865 8 L 3.6516 8.0841 120.1131 57.8232 42.0885 178.4777 9 A 3.9514 7.8190 120.7392 55.6020 18.3353 179.9395 10 R 3.9210 8.0674 116.1999 59.5119 30.0469 179.5916 11 T 3.8670 7.6888 115.1393 66.6672 68.5051 176.7452 12 L 3.8615 8.0757 121.2283 57.4916 41.5666 179.5080 13 K 3.8786 8.0575 119.5926 59.6196 31.9699 178.9064 14 R 3.9724 7.9027 117.5464 58.9322 29.9716 177.3970 15 L 4.4198 7.5153 116.8073 53.9234 41.7078 176.7204 16 G 3.8784 7.7478 106.6199 47.0837 0.0000 175.3181 17 M 3.8804 7.7849 121.3492 56.3643 32.4536 175.8088 18 D 4.6599 8.0191 117.8735 55.7795 41.3221 175.6429 19 G 3.9229 9.4064 115.3833 45.7354 0.0000 171.3766 20 Y 4.1898 8.4638 121.9714 58.4701 38.8036 176.2554 21 R 3.6884 9.2071 126.6533 57.1274 27.7620 177.4027 22 G 3.8048 8.1326 105.1080 45.1661 0.0000 174.3522 23 V 3.7759 7.6212 121.1106 61.0036 32.0172 175.7254 24 S 4.6519 8.2951 122.1221 57.8017 64.0013 174.8685 25 L 4.2320 9.0194 123.5023 58.5961 41.7844 179.2768 26 A 4.1597 8.2099 120.1093 55.4014 18.2417 179.2603 27 N 4.4668 8.1316 114.7816 56.2933 38.5762 177.7425 28 W 4.2607 8.0601 119.9331 59.9142 29.0730 178.3880 29 M 4.1831 8.4694 118.8968 58.5515 31.5739 177.9099 30 C 3.1509 8.0574 118.6021 59.0694 44.9000 175.3665 31 L 4.0006 8.1806 121.6808 58.2686 41.7750 178.8211 32 A 4.0794 8.3686 120.8469 54.8745 18.3118 179.3288 33 K 2.7543 8.1982 118.3354 59.3663 32.0108 178.9737 34 W 4.2792 7.5748 116.5676 58.9644 29.1307 178.3185 35 E 4.3548 8.2659 118.6717 58.6872 29.5021 177.7625 36 S 4.5091 8.0062 108.9721 56.7374 65.3127 174.1422 37 G 3.2736 7.9343 108.9532 47.1526 0.0000 173.2852 38 Y 3.6356 7.6018 112.6287 58.6422 35.1654 168.9343 39 N 5.3350 7.5701 117.7348 51.9157 40.2357 175.6133 40 T 4.0397 8.9825 117.2917 63.8254 69.1877 175.9017 41 R 4.5178 8.0179 116.9808 55.5680 30.0040 175.9869 42 A 4.3174 7.7275 122.0068 52.6903 19.1497 177.2135 43 T 5.0105 8.4431 111.9367 59.9748 72.4970 173.3895 44 N 4.8048 8.7927 121.9564 52.4695 41.8936 172.5063 45 Y 4.6010 8.7483 128.5694 57.4637 40.6267 173.8848 46 N 4.5558 8.5568 125.0130 51.2708 38.7007 175.5021 47 A 3.6149 8.3246 127.7276 54.5873 18.9845 179.2135 48 G 3.6991 8.0605 104.5408 48.0524 0.0000 173.9635 49 D 4.7335 7.5562 115.2465 52.0017 40.0606 175.7923 50 R 3.8510 8.0619 116.4443 56.8905 28.1577 175.8207 51 S 4.9712 7.7019 111.7971 57.0541 66.4337 172.7487 52 T 5.1213 8.8428 116.0666 61.9476 72.5854 172.7706 53 D 5.5094 8.9470 125.1850 53.1722 43.2174 175.0758 54 Y 5.0151 9.1395 120.9375 57.4486 41.6310 177.4181 55 G 4.2687 8.9981 111.7614 45.2319 0.0000 173.5089 56 I 3.8626 8.2612 116.8265 62.9649 37.8960 177.3073 57 F 4.7515 8.0544 115.5828 56.3612 39.7046 175.5852 58 Q 3.5580 7.8365 118.8011 57.1257 26.4277 173.6507 59 I 4.4719 8.3570 119.3062 60.7880 39.4561 176.5297 60 N 5.3198 9.2149 126.0759 53.3994 39.6748 175.7677 61 S 4.6833 9.0384 120.8572 60.3524 63.2661 175.4417 62 R 3.7719 8.5281 121.9148 58.4581 30.3456 177.7005 63 Y 4.3149 7.7140 114.3821 57.5382 40.5499 176.7428 64 W 4.5992 8.2214 118.7585 57.3752 31.3691 173.9582 65 C 5.4106 8.1382 112.4659 53.6747 46.5013 172.3544 66 N 5.1078 9.0724 119.5144 51.9992 40.3554 174.7438 67 D 4.7714 8.6508 123.5881 52.2530 40.4264 178.2976 68 G 4.0784 8.4785 109.9068 46.2519 0.0000 174.8829 69 K 4.3614 8.0765 116.1777 56.7746 33.3037 176.2428 70 T 4.4973 7.5823 117.8148 61.9140 68.9688 173.1649 71 P 4.3098 0.0000 0.0000 63.4456 31.9659 176.2718 72 G 4.3723 8.6558 107.1770 46.3643 0.0000 173.4966 73 A 4.3249 7.1717 119.2924 51.4799 19.1984 178.1561 74 V 4.3010 8.3941 118.9985 61.2292 35.2000 175.0377 75 N 4.7532 8.6361 124.1989 51.8428 38.6929 173.3057 76 A 4.2019 9.3956 128.1540 53.9409 18.9187 178.1885 77 A 4.3247 8.1982 115.9843 51.8204 19.7434 177.5718 78 H 4.0603 7.9753 110.9696 57.3873 26.7253 174.4740 79 L 4.8776 7.7176 116.5822 52.6356 45.5319 176.0148 80 S 4.7157 8.2608 114.7775 57.8405 63.2994 175.9704 81 C 4.0869 8.6487 124.7928 59.8121 36.4438 176.3975 82 S 3.9035 7.7593 114.6489 61.1993 61.6681 175.9500 83 A 4.1354 7.8351 122.5391 54.3481 18.0383 177.9079 84 L 4.4763 7.6582 116.5750 54.9952 41.7297 177.6033 85 L 5.3074 7.6673 116.4936 53.7373 42.3255 176.6929 86 Q 4.3916 7.7694 117.9318 55.3223 29.6016 175.8860 87 D 4.4370 8.5115 119.3365 56.9630 41.1612 176.7699 88 N 4.6208 8.0355 118.1998 53.0514 39.2351 174.5677 89 I 4.2652 8.4505 119.0114 61.0728 38.0153 177.0138 90 A 3.9430 8.5227 125.2690 56.0798 18.1416 180.2563 91 D 4.3042 8.0754 116.4565 57.3813 40.9825 178.6850 92 A 4.0987 7.9812 120.9251 55.1548 18.4382 179.7322 93 V 3.3884 8.2282 116.9975 65.9588 31.7012 178.1905 94 A 3.8333 8.0995 120.4063 54.9421 18.1764 179.5300 95 A 3.9530 8.2324 119.2595 55.1676 18.5800 179.7018 96 A 4.0231 8.0506 119.3737 55.2156 18.1967 180.0280 97 K 3.7192 7.8163 117.0318 59.3797 31.7670 179.5558 98 R 3.9089 7.5089 117.6471 59.2537 30.3617 178.3737 99 V 2.1263 7.2567 117.8703 65.7223 31.0571 178.3825 100 V 3.7797 7.7112 110.7574 63.2934 31.2126 177.8536 101 R 4.1802 7.4953 117.7854 57.1532 30.4569 175.8674 102 D 4.8181 7.3928 118.7387 52.8339 42.0924 175.4092 103 P 4.2657 0.0000 0.0000 66.0258 31.0571 177.5505 104 Q 4.0565 8.1382 117.1964 56.1986 30.1706 177.0162 105 G 3.8268 7.9867 107.0118 46.6469 0.0000 175.4395 106 I 3.6388 7.7435 119.1140 63.3731 38.0418 178.2637 107 R 4.2591 7.3003 118.0547 58.0440 30.0414 177.4443 108 A 3.8929 7.6612 120.8707 54.2931 18.5766 177.5679 109 W 4.6770 8.1195 117.0507 55.4750 29.5174 177.4669 110 V 3.7503 8.6903 124.0433 65.9402 30.8641 177.5932 111 A 4.0837 8.2959 120.2235 54.7234 18.1282 179.2305 112 W 3.9624 8.3737 127.1590 60.6300 30.5582 178.4630 113 R 3.7175 8.1316 116.5510 59.2679 29.6672 178.3895 114 N 4.3835 7.9274 115.2966 55.4463 38.7280 176.7918 115 R 4.1182 7.6850 113.5772 55.9313 30.4896 175.5223 116 C 4.5012 7.7259 116.4999 58.1332 42.6779 174.3521 117 Q 3.1001 6.4197 118.7231 57.3304 28.6657 175.4468 118 N 4.1775 8.6805 119.9216 54.1360 36.1850 173.6455 119 R 4.5007 7.3054 115.9183 53.9746 33.1586 175.1304 120 D 4.5744 8.4768 118.6226 54.1468 40.7456 175.8737 121 V 4.6522 8.2496 119.1727 61.3602 32.6162 178.1233 122 R 4.0399 8.1726 122.2775 59.3857 29.5787 178.5706 123 Q 3.9936 8.1873 116.0571 59.7099 28.1968 178.3553 124 Y 4.3730 7.9248 117.4385 59.7814 38.0936 176.7130 125 V 4.4085 7.7815 111.1768 60.6017 32.8854 174.9898 126 Q 4.0966 8.0226 122.3428 57.2654 29.1733 176.5586 127 G 4.0076 8.9289 113.0498 45.9680 0.0000 174.6922 128 C 4.3800 7.8940 116.0720 57.5176 40.4705 173.7986 129 G 3.8165 8.1671 107.1364 46.8971 0.0000 174.0440 130 V 4.0273 7.7975 117.8412 61.1471 32.4101 175.8668 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 8.17 4.20 0.00 1.83 1.74 0.00 1.32 0.00 0.00 1.19 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.01 1.15 7.81 2 V 8.22 4.54 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 0.90 0.00 0.00 0.95 0.00 0.00 3 F 10.14 4.28 0.00 2.96 2.82 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 4 E 8.87 4.26 0.00 1.96 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 2.28 2.35 0.00 5 R 8.95 3.31 0.00 1.90 1.89 0.00 3.42 0.00 0.00 3.46 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 6 C 8.01 4.33 0.00 3.00 3.12 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 0.00 0.00 0.00 7 E 8.11 3.91 0.00 2.05 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 2.63 2.42 0.00 8 L 8.08 3.65 0.00 1.43 1.42 -0.06 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.82 3.95 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 10 R 8.07 3.92 0.00 1.89 2.00 0.00 3.14 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 1.65 1.82 0.00 11 T 7.69 3.87 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 1.22 0.00 0.00 12 L 8.08 3.86 0.00 1.74 1.59 0.96 0.54 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 13 K 8.06 3.88 0.00 1.94 1.95 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.46 7.81 14 R 7.90 3.97 0.00 2.00 2.06 0.00 3.30 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 15 L 7.52 4.42 0.00 1.67 1.54 0.85 0.94 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 16 G 7.75 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 17 M 7.78 3.88 0.00 1.25 1.94 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.19 0.00 18 D 8.02 4.66 0.00 2.67 2.67 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 19 G 9.41 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 20 Y 8.46 4.19 0.00 3.30 3.18 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 21 R 9.21 3.69 0.00 1.92 1.86 0.00 3.20 0.00 0.00 2.97 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 1.33 0.00 22 G 8.13 3.80 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 0.00 0.00 0.00 23 V 7.62 3.78 1.93 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 -0.49 0.00 0.00 0.49 0.00 0.00 24 S 8.30 4.65 0.00 4.10 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 25 L 9.02 4.23 0.00 2.07 1.82 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.21 4.16 1.52 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 27 N 8.13 4.47 0.00 2.82 2.71 0.00 0.00 6.96 7.25 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 28 W 8.06 4.26 0.00 3.53 3.12 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 0.00 0.00 0.00 29 M 8.47 4.18 0.00 2.21 2.39 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.93 0.00 30 C 8.06 3.15 0.00 2.50 3.14 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 31 L 8.18 4.00 0.00 1.87 1.87 0.62 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.37 4.08 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 33 K 8.20 2.75 0.00 1.57 1.75 0.00 0.69 0.00 0.00 1.24 0.00 0.00 2.62 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.14 0.21 7.81 34 W 7.57 4.28 0.00 3.35 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 35 E 8.27 4.35 0.00 2.02 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 0.00 2.63 2.45 0.00 36 S 8.01 4.51 0.00 4.05 4.11 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 37 G 7.93 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 0.00 0.00 0.00 38 Y 7.60 3.64 0.00 3.21 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 39 N 7.57 5.34 0.00 2.87 2.80 0.00 0.00 7.01 7.10 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 40 T 8.98 4.04 4.48 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 41 R 8.02 4.52 0.00 2.00 2.10 0.00 3.09 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.80 0.00 42 A 7.73 4.32 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 43 T 8.44 5.01 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 1.33 0.00 0.00 44 N 8.79 4.80 0.00 3.00 2.68 0.00 0.00 6.94 7.10 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 45 Y 8.75 4.60 0.00 3.04 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 46 N 8.56 4.56 0.00 2.67 2.62 0.00 0.00 6.53 7.28 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 47 A 8.32 3.61 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 48 G 8.06 3.70 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 0.00 0.00 0.00 49 D 7.56 4.73 0.00 2.69 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.06 3.85 0.00 2.03 2.19 0.00 3.11 0.00 0.00 3.19 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.51 0.00 51 S 7.70 4.97 0.00 3.91 3.91 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 52 T 8.84 5.12 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 0.60 0.00 0.00 53 D 8.95 5.51 0.00 2.73 2.72 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 54 Y 9.14 5.02 0.00 3.01 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 55 G 9.00 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 0.00 0.00 0.00 0.00 56 I 8.26 3.86 1.69 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.75 0.21 0.00 0.00 57 F 8.05 4.75 0.00 3.21 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 58 Q 7.84 3.56 0.00 2.52 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.67 6.80 0.00 0.00 0.00 0.00 0.00 2.53 2.69 0.00 59 I 8.36 4.47 2.15 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.17 1.17 0.00 0.00 60 N 9.21 5.32 0.00 3.03 3.08 0.00 0.00 6.97 7.63 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 61 S 9.04 4.68 0.00 4.07 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 0.00 62 R 8.53 3.77 0.00 1.57 1.17 0.00 2.57 0.00 0.00 2.87 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.11 0.00 63 Y 7.71 4.31 0.00 1.43 1.86 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 64 W 8.22 4.60 0.00 3.44 3.28 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 0.00 65 C 8.14 5.41 0.00 3.12 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 66 N 9.07 5.11 0.00 2.82 2.69 0.00 0.00 7.03 8.44 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 67 D 8.65 4.77 0.00 2.94 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 68 G 8.48 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 0.00 0.00 0.00 69 K 8.08 4.36 0.00 1.91 1.94 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.47 7.81 70 T 7.58 4.50 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 1.16 0.00 0.00 71 P 0.00 4.31 0.00 2.15 1.96 0.00 3.73 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 72 G 8.66 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 0.00 0.00 0.00 0.00 73 A 7.17 4.32 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 74 V 8.39 4.30 1.93 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 0.68 0.00 0.00 0.85 0.00 0.00 75 N 8.64 4.75 0.00 2.68 2.60 0.00 0.00 7.00 7.96 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 76 A 9.40 4.20 1.04 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 77 A 8.20 4.32 1.56 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 0.00 0.00 78 H 7.98 4.06 0.00 3.39 3.46 0.00 5.79 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.72 4.88 0.00 1.70 1.53 0.96 0.79 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 80 S 8.26 4.72 0.00 3.83 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 81 C 8.65 4.09 0.00 2.32 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 82 S 7.76 3.90 0.00 3.81 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 83 A 7.84 4.14 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 84 L 7.66 4.48 0.00 1.94 1.81 1.05 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.67 5.31 0.00 1.81 1.71 1.10 1.15 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 86 Q 7.77 4.39 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.58 7.11 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 87 D 8.51 4.44 0.00 2.64 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 88 N 8.04 4.62 0.00 2.70 2.75 0.00 0.00 6.96 7.94 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 89 I 8.45 4.27 1.80 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.85 0.98 0.00 0.00 90 A 8.52 3.94 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 91 D 8.08 4.30 0.00 2.72 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 92 A 7.98 4.10 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 93 V 8.23 3.39 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 0.69 0.00 0.00 0.91 0.00 0.00 94 A 8.10 3.83 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 0.00 0.00 0.00 0.00 0.00 95 A 8.23 3.95 1.46 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 0.00 0.00 96 A 8.05 4.02 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.82 3.72 0.00 1.67 1.43 0.00 1.24 0.00 0.00 0.83 0.00 0.00 2.13 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.30 0.85 7.81 98 R 7.51 3.91 0.00 1.85 2.11 0.00 3.46 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.93 0.00 99 V 7.26 2.13 1.74 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 -0.36 0.00 0.00 -0.50 0.00 0.00 100 V 7.71 3.78 2.14 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 1.04 0.00 0.00 1.47 0.00 0.00 101 R 7.50 4.18 0.00 2.17 2.10 0.00 3.34 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 102 D 7.39 4.82 0.00 3.18 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 0.00 103 P 0.00 4.27 0.00 2.15 2.21 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 104 Q 8.14 4.06 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.79 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 105 G 7.99 3.83 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 0.00 106 I 7.74 3.64 0.97 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.22 -0.72 0.00 0.00 107 R 7.30 4.26 0.00 2.04 2.05 0.00 3.27 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.69 0.00 108 A 7.66 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 W 8.12 4.68 0.00 3.49 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 0.00 110 V 8.69 3.75 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 1.10 0.00 0.00 0.99 0.00 0.00 111 A 8.30 4.08 1.53 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 0.00 0.00 112 W 8.37 3.96 0.00 3.47 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.13 3.72 0.00 2.05 1.98 0.00 3.60 0.00 0.00 3.60 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.07 0.00 114 N 7.93 4.38 0.00 2.58 2.72 0.00 0.00 6.92 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 R 7.69 4.12 0.00 0.94 0.94 0.00 2.78 0.00 0.00 2.91 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.04 0.00 116 C 7.73 4.50 0.00 1.56 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 0.00 117 Q 6.42 3.10 0.00 0.93 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.83 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 118 N 8.68 4.18 0.00 2.80 2.82 0.00 0.00 6.85 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 0.00 119 R 7.31 4.50 0.00 1.77 1.81 0.00 3.22 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 120 D 8.48 4.57 0.00 2.64 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 0.00 121 V 8.25 4.65 2.35 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 0.87 0.00 0.00 1.05 0.00 0.00 122 R 8.17 4.04 0.00 1.83 2.02 0.00 3.17 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 123 Q 8.19 3.99 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.12 0.00 0.00 0.00 0.00 0.00 2.15 1.74 0.00 124 Y 7.92 4.37 0.00 3.23 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 0.00 125 V 7.78 4.41 2.14 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 1.10 0.00 0.00 1.05 0.00 0.00 126 Q 8.02 4.10 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.74 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 127 G 8.93 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 0.00 0.00 0.00 128 C 7.89 4.38 0.00 3.05 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 0.00 129 G 8.17 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 0.00 130 V 7.80 4.03 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 0.75 0.00 0.00 0.96 0.00 0.00