NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4582 8.1633 120.3499 54.9999 33.5996 176.2347 2 E 3.8386 8.5394 121.6305 58.8967 29.5157 177.7663 3 D 4.4218 9.0290 120.0624 57.5758 41.1792 178.4982 4 E 4.0655 7.9952 118.8868 59.4542 29.4607 178.8627 5 N 4.3214 8.1985 116.0098 56.5065 38.6441 177.1360 6 I 3.7067 7.5560 120.5392 64.5072 37.2160 178.4968 7 L 3.9950 7.5180 118.3432 57.6745 41.4331 179.4763 8 R 3.8908 8.3513 119.0054 59.6753 30.0241 178.2421 9 N 4.3531 8.5329 116.2832 56.2715 38.5233 177.2942 10 A 3.9770 8.1250 122.1043 55.0460 18.4107 179.8878 11 V 3.4569 8.2030 117.0887 66.2074 31.6320 177.6044 12 N 4.1710 8.6753 116.5947 56.6177 38.4362 177.1535 13 L 3.8523 8.2721 121.6409 58.2288 41.9679 178.9810 14 Q 4.0007 7.9534 116.9828 58.3874 28.3087 178.4725 15 V 3.7575 7.8769 119.9372 65.5823 31.5701 178.0053 16 L 3.9752 7.9158 118.8446 57.9130 41.4038 179.7945 17 K 4.2196 8.2765 118.2406 59.1734 31.6392 179.2389 18 F 4.1246 7.6889 119.7195 61.5433 39.3613 176.5026 19 H 4.2106 8.0381 114.2385 57.0807 29.7330 174.9148 20 Y 4.7053 8.0896 118.4150 55.0674 39.0694 173.5583 21 P 4.7069 0.0000 0.0000 64.6189 31.8940 177.9953 22 E 4.2140 8.2759 116.7663 58.4944 29.8536 176.7107 23 I 4.2941 7.6514 120.4540 61.5599 37.0290 175.9078 24 E 4.7015 8.9378 122.6626 56.4667 31.7771 175.6029 25 S 4.6720 8.5420 114.3124 57.1241 66.6050 172.8601 26 I 4.7120 8.2516 125.4401 60.0053 38.2898 175.5375 27 I 4.0571 9.1749 129.4155 63.9513 37.7864 175.7014 28 D 4.6636 7.7068 118.4993 53.7722 44.7200 173.9761 29 I 5.1100 8.3257 121.0567 59.4770 41.2499 174.6231 30 A 4.6964 9.1349 128.9077 50.4731 20.1238 177.0730 31 S 3.9606 8.8436 119.8685 61.5968 63.3600 174.4122 32 H 5.3053 7.9865 119.9845 54.8288 32.9811 171.5292 33 V 5.2092 9.6140 125.7687 61.1772 34.8596 174.0165 34 A 5.2688 9.7089 129.2823 50.5153 21.9821 175.5401 35 V 5.0682 8.4393 120.0270 61.5629 34.0742 174.5516 36 Y 5.3916 9.9305 125.5201 56.6612 42.0469 174.3934 37 Q 5.0567 9.6041 121.4590 54.8452 33.0034 173.2162 38 F 3.7531 8.0193 129.8654 57.7133 39.9126 174.0537 39 D 4.2905 7.9313 127.5221 53.7563 40.8387 176.1081 40 V 3.7311 8.7865 120.4903 64.4327 31.7410 177.2515 41 G 3.4599 7.9263 108.7368 45.9241 0.0000 174.6333 42 S 3.6971 8.5479 121.5603 57.9136 63.2623 172.2255 43 Q 4.2984 8.1372 117.8196 53.3604 28.2772 174.0068 44 K 4.6027 6.6525 119.1660 54.8158 36.3264 175.7342 45 W 4.6505 8.9853 124.1866 56.6538 30.1423 175.5327 46 L 4.9879 9.2213 123.9056 52.6321 44.8903 175.9567 47 K 3.8494 8.8586 125.0759 56.7149 32.9000 176.8231 48 T 4.6247 8.0041 117.8791 61.0441 71.3630 174.3188 49 S 4.6051 8.7370 115.4886 58.7965 64.6412 173.9502 50 I 4.2663 7.6666 123.2602 60.6836 37.3575 174.7884 51 E 5.2119 8.2168 125.1576 53.9179 33.1718 174.6462 52 G 3.9019 7.9696 112.8769 46.7099 0.0000 170.4527 53 T 4.8274 7.8731 117.3641 62.1477 70.4239 173.6366 54 F 5.2797 8.8404 128.5064 56.5373 41.8404 174.1556 55 F 5.1326 8.8987 124.9754 55.4871 42.0735 174.2575 56 L 4.6698 9.4084 127.7505 54.6417 42.8169 175.7094 57 V 4.9226 9.0083 120.5240 59.3625 35.1289 174.7484 58 K 5.1165 9.0991 125.6972 54.9822 34.6422 175.0951 59 D 5.7776 8.2166 126.2821 51.4506 42.9479 175.1686 60 Q 4.1263 8.5749 118.1253 57.9299 28.9181 177.2355 61 R 3.9975 8.6604 120.0691 55.1007 27.8696 175.5777 62 A 3.8621 7.2685 119.4468 53.0078 16.5073 177.5551 63 R 4.4283 8.5465 120.1821 55.4815 31.9364 177.0332 64 V 3.9671 8.3285 122.8034 63.0743 33.4443 175.4728 65 G 4.4502 8.5344 110.9118 47.1448 0.0000 171.2662 66 Y 5.2373 7.8694 116.0939 55.7458 41.7429 173.9105 67 V 4.8181 8.7717 121.6993 61.1746 34.9702 174.1061 68 I 5.6389 8.7356 128.5175 58.9917 39.5580 175.0882 69 L 4.3383 8.9011 128.3786 53.3378 41.0531 175.5112 70 N 4.5389 8.6933 121.9840 54.3621 38.7809 174.7988 71 R 4.1972 9.1522 125.7584 58.4533 30.3096 177.5130 72 N 4.6365 8.8227 115.8175 54.4174 39.2912 174.8297 73 S 4.6230 7.4509 109.7856 56.6667 65.2340 173.3622 74 P 4.3321 0.0000 0.0000 65.0532 31.1474 177.4235 75 E 4.1967 7.4281 117.9031 56.3356 27.0374 175.8383 76 N 4.9495 8.1581 122.0234 52.3758 40.6253 173.2165 77 L 4.7880 8.6460 120.1262 53.9933 45.4765 175.0108 78 Y 5.5537 8.5164 126.2014 55.1512 40.5475 173.4445 79 L 4.4733 7.6567 125.7054 52.5692 44.8296 175.7971 80 F 4.8397 8.3604 120.3688 56.9034 41.0619 176.0704 81 I 4.4311 8.5544 123.2226 59.5780 37.1073 176.1485 82 N 4.2975 8.7879 124.7059 55.9739 39.1944 175.5410 83 H 4.7689 7.9039 114.6401 53.9818 33.5806 172.0708 84 P 4.2295 0.0000 0.0000 65.8761 31.3251 178.1998 85 S 4.1928 8.3258 111.1993 61.2181 62.5642 174.9605 86 N 4.6081 8.8265 117.8040 55.3335 38.6757 174.9438 87 V 4.7446 7.4223 117.5472 62.4398 32.8309 175.1726 88 H 5.1730 10.0698 123.3900 54.0692 33.6675 172.2976 89 L 4.8013 8.5211 122.5068 53.3245 43.8430 175.7721 90 V 4.1693 8.1769 126.1329 62.9531 34.6517 175.0461 91 D 4.1572 9.4306 121.4872 56.6638 37.2593 174.0071 92 R 3.2314 7.4502 116.7967 56.5749 28.9051 175.9804 93 Y 4.5850 7.6518 116.1308 56.5998 40.6162 174.7108 94 L 4.9357 9.3654 125.5739 53.5007 43.9186 175.0656 95 I 4.7452 8.6903 128.6562 61.0876 38.6982 174.7635 96 H 5.5441 9.8100 126.8512 54.6063 32.9679 172.0252 97 R 4.8993 8.8738 125.4587 55.4491 30.7379 175.8774 98 T 4.5130 8.5994 119.3251 60.5993 69.5311 175.2768 99 E 3.9399 8.8762 129.0522 59.5100 30.0400 180.6248 100 N 4.5820 7.9214 114.9399 52.9779 36.7503 174.5544 101 Q 3.4733 8.4412 116.4551 58.3705 28.5636 171.9386 102 H 4.9983 7.5986 111.6175 53.9989 31.1485 174.1824 103 V 4.6714 8.3235 122.4184 61.4214 33.3885 174.2490 104 V 4.9711 9.0503 128.6957 61.1457 34.2696 174.2394 105 G 4.5541 9.7518 115.2599 44.5680 0.0000 171.9889 106 L 5.4067 9.2955 125.7305 52.8288 44.4601 175.3337 107 W 4.5504 9.3351 135.0000 55.8259 32.2454 174.3114 108 M 4.8830 7.9987 127.1369 54.8385 32.0034 177.0392 109 F 4.2867 9.6213 121.9461 59.1241 40.2195 175.0672 110 D 4.7503 7.9730 119.0508 51.8056 42.0933 174.5537 111 P 4.0295 0.0000 0.0000 65.9211 31.2561 178.2180 112 N 4.3061 8.2359 114.9105 56.3180 38.3098 177.1638 113 D 4.2470 8.0228 120.2812 57.4050 40.9062 178.1003 114 M 3.7629 7.8961 118.1880 59.0378 32.0383 178.3714 115 S 4.1109 7.7556 114.3418 61.4997 63.0478 176.7198 116 R 3.8858 7.9089 121.3850 59.6369 29.8604 178.6960 117 I 3.8766 8.0554 119.8004 63.8786 37.0715 178.1377 118 F 4.1193 8.2018 121.7519 61.5549 39.1101 176.8964 119 N 4.2710 8.2120 114.8550 56.2804 38.3797 176.8288 120 I 3.8960 7.4033 118.6557 63.1894 38.1679 177.7617 121 V 3.8190 7.5778 118.4985 64.8931 33.0459 177.1658 122 K 4.1446 7.5997 119.3663 55.4993 29.8706 176.1397 123 E 4.1217 7.4124 123.5997 56.3708 29.7657 174.4071 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 8.16 4.46 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.58 0.00 2 E 8.54 3.84 0.00 2.18 1.99 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 2.41 2.53 0.00 3 D 9.03 4.42 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 4 E 8.00 4.07 0.00 2.14 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 0.00 2.33 2.35 0.00 5 N 8.20 4.32 0.00 2.88 2.90 0.00 0.00 7.08 7.21 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 6 I 7.56 3.71 1.88 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 1.79 1.20 0.92 0.00 0.00 7 L 7.52 4.00 0.00 1.95 1.72 0.95 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 8 R 8.35 3.89 0.00 1.95 2.11 0.00 3.15 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 9 N 8.53 4.35 0.00 2.91 2.88 0.00 0.00 6.98 8.02 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 10 A 8.12 3.98 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 11 V 8.20 3.46 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 0.95 0.00 0.00 12 N 8.68 4.17 0.00 2.98 2.84 0.00 0.00 6.76 6.98 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 13 L 8.27 3.85 0.00 1.76 1.74 0.90 0.81 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 14 Q 7.95 4.00 0.00 2.34 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 15 V 7.88 3.76 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 0.88 0.00 0.00 16 L 7.92 3.98 0.00 1.71 1.57 0.44 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.28 4.22 0.00 1.91 1.89 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.58 7.81 18 F 7.69 4.12 0.00 3.02 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 19 H 8.04 4.21 0.00 3.08 2.50 0.00 5.70 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.09 4.71 0.00 2.97 2.93 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 21 P 0.00 4.71 0.00 2.06 2.14 0.00 3.77 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 22 E 8.28 4.21 0.00 2.20 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 0.00 2.46 2.41 0.00 23 I 7.65 4.29 1.87 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.48 0.93 0.00 0.00 24 E 8.94 4.70 0.00 1.93 2.06 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 2.19 2.36 0.00 25 S 8.54 4.67 0.00 3.90 3.71 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 0.00 0.00 0.00 0.00 26 I 8.25 4.71 1.93 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 1.33 0.78 1.08 0.00 0.00 27 I 9.17 4.06 2.03 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 1.16 0.62 0.96 0.00 0.00 28 D 7.71 4.66 0.00 2.74 2.55 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 29 I 8.33 5.11 1.87 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.90 0.69 0.00 0.00 30 A 9.13 4.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.84 3.96 0.00 3.95 3.96 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 32 H 7.99 5.31 0.00 3.03 3.01 0.00 5.63 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 9.61 5.21 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 1.05 0.00 0.00 0.77 0.00 0.00 34 A 9.71 5.27 1.62 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 0.00 0.00 35 V 8.44 5.07 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 1.18 0.00 0.00 1.17 0.00 0.00 36 Y 9.93 5.39 0.00 3.18 3.31 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 37 Q 9.60 5.06 0.00 2.17 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.00 0.00 0.00 0.00 0.00 0.00 2.22 2.43 0.00 38 F 8.02 3.75 0.00 1.56 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 39 D 7.93 4.29 0.00 2.49 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 0.00 0.00 0.00 0.00 40 V 8.79 3.73 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 0.80 0.00 0.00 0.91 0.00 0.00 41 G 7.93 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 0.00 0.00 0.00 42 S 8.55 3.70 0.00 4.10 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 43 Q 8.14 4.30 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.68 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 44 K 6.65 4.60 0.00 1.73 1.81 0.00 1.46 0.00 0.00 1.77 0.00 0.00 2.77 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.24 1.26 7.81 45 W 8.99 4.65 0.00 3.27 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 46 L 9.22 4.99 0.00 1.56 1.55 0.88 0.64 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 47 K 8.86 3.85 0.00 1.47 1.52 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.93 0.21 7.81 48 T 8.00 4.62 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 49 S 8.74 4.61 0.00 3.87 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 50 I 7.67 4.27 1.98 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.18 1.04 0.00 0.00 51 E 8.22 5.21 0.00 2.01 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 2.31 2.41 0.00 52 G 7.97 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 0.00 0.00 0.00 53 T 7.87 4.83 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 0.40 0.00 0.00 54 F 8.84 5.28 0.00 3.15 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 55 F 8.90 5.13 0.00 2.96 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 56 L 9.41 4.67 0.00 1.96 1.89 1.15 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 57 V 9.01 4.92 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 0.71 0.00 0.00 0.71 0.00 0.00 58 K 9.10 5.12 0.00 1.82 1.68 0.00 1.63 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.41 7.81 59 D 8.22 5.78 0.00 3.01 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 60 Q 8.57 4.13 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 5.60 0.00 0.00 0.00 0.00 0.00 2.66 2.52 0.00 61 R 8.66 4.00 0.00 1.91 2.23 0.00 3.30 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 62 A 7.27 3.86 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 63 R 8.55 4.43 0.00 2.16 1.67 0.00 2.80 0.00 0.00 2.59 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.55 0.00 64 V 8.33 3.97 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 1.04 0.00 0.00 0.98 0.00 0.00 65 G 8.53 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 7.87 5.24 0.00 2.20 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 67 V 8.77 4.82 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 1.02 0.00 0.00 -0.05 0.00 0.00 68 I 8.74 5.64 2.06 0.00 0.00 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 1.53 1.71 1.12 0.00 0.00 69 L 8.90 4.34 0.00 1.73 1.76 1.03 1.09 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 70 N 8.69 4.54 0.00 2.87 3.00 0.00 0.00 7.29 7.65 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 71 R 9.15 4.20 0.00 1.80 1.96 0.00 3.12 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 72 N 8.82 4.64 0.00 2.98 2.88 0.00 0.00 6.80 7.69 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 73 S 7.45 4.62 0.00 3.94 3.81 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 74 P 0.00 4.33 0.00 2.09 2.19 0.00 3.70 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 75 E 7.43 4.20 0.00 2.00 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 2.37 2.32 0.00 76 N 8.16 4.95 0.00 2.79 3.01 0.00 0.00 6.89 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 77 L 8.65 4.79 0.00 1.87 1.61 1.00 0.92 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 78 Y 8.52 5.55 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 0.00 0.00 0.00 79 L 7.66 4.47 0.00 0.83 1.30 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 80 F 8.36 4.84 0.00 2.86 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 81 I 8.55 4.43 1.99 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.19 0.96 0.00 0.00 82 N 8.79 4.30 0.00 2.76 2.90 0.00 0.00 6.90 8.16 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 83 H 7.90 4.77 0.00 3.19 3.11 0.00 5.62 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 84 P 0.00 4.23 0.00 2.10 2.01 0.00 3.12 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 85 S 8.33 4.19 0.00 3.93 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 86 N 8.83 4.61 0.00 2.93 3.20 0.00 0.00 6.44 7.57 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 87 V 7.42 4.74 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 0.91 0.00 0.00 0.96 0.00 0.00 88 H 10.07 5.17 0.00 3.23 3.18 0.00 5.80 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.52 4.80 0.00 0.27 0.66 0.11 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.18 4.17 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 0.88 0.00 0.00 0.93 0.00 0.00 91 D 9.43 4.16 0.00 2.80 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 92 R 7.45 3.23 0.00 1.41 0.66 0.00 2.95 0.00 0.00 2.75 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.27 0.00 93 Y 7.65 4.58 0.00 2.99 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 L 9.37 4.94 0.00 1.65 1.54 0.99 1.18 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 95 I 8.69 4.75 2.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.76 1.08 0.00 0.00 96 H 9.81 5.54 0.00 3.31 3.34 0.00 5.59 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.87 4.90 0.00 1.88 1.91 0.00 3.24 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 98 T 8.60 4.51 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 1.32 0.00 0.00 99 E 8.88 3.94 0.00 2.10 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 0.00 2.37 2.41 0.00 100 N 7.92 4.58 0.00 2.72 2.85 0.00 0.00 5.96 7.39 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 0.00 101 Q 8.44 3.47 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.52 6.69 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 102 H 7.60 5.00 0.00 3.17 3.17 0.00 5.64 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 0.00 103 V 8.32 4.67 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 0.94 0.00 0.00 0.81 0.00 0.00 104 V 9.05 4.97 2.26 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 1.10 0.00 0.00 1.06 0.00 0.00 105 G 9.75 4.55 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 0.00 106 L 9.30 5.41 0.00 1.62 1.57 0.83 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 107 W 9.34 4.55 0.00 3.41 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 0.00 108 M 8.00 4.88 0.00 1.75 1.78 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.20 0.00 109 F 9.62 4.29 0.00 2.92 3.22 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 0.00 110 D 7.97 4.75 0.00 2.68 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 0.00 111 P 0.00 4.03 0.00 2.09 1.94 0.00 3.61 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 112 N 8.24 4.31 0.00 2.95 2.83 0.00 0.00 7.01 7.97 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 0.00 113 D 8.02 4.25 0.00 2.75 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 0.00 114 M 7.90 3.76 0.00 2.04 1.76 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 115 S 7.76 4.11 0.00 3.89 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 0.00 116 R 7.91 3.89 0.00 2.02 2.03 0.00 3.10 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 1.63 1.67 0.00 117 I 8.06 3.88 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.51 0.98 0.00 0.00 118 F 8.20 4.12 0.00 3.15 3.21 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 0.00 119 N 8.21 4.27 0.00 2.85 2.86 0.00 0.00 7.12 7.06 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 0.00 120 I 7.40 3.90 1.98 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 1.42 0.75 0.99 0.00 0.00 121 V 7.58 3.82 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 0.87 0.00 0.00 1.07 0.00 0.00 122 K 7.60 4.14 0.00 0.84 1.03 0.00 1.67 0.00 0.00 1.47 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.10 1.20 7.81 123 E 7.41 4.12 0.00 2.03 1.71 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 0.00 2.15 2.31 0.00