NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4146 8.1933 115.2883 58.4905 63.3424 173.7020 2 M 4.1374 8.6227 117.8571 57.1267 31.9065 176.0056 3 Q 4.0110 8.2150 117.8320 58.0940 29.7101 175.8048 4 D 4.6228 8.0007 115.9924 51.0399 43.1949 173.8870 5 P 4.3085 0.0000 0.0000 65.6214 31.7018 178.0386 6 I 3.5910 7.8440 119.0504 64.1130 37.0821 177.5890 7 A 3.9284 8.2285 121.2492 55.5348 18.0658 178.6541 8 D 4.2468 7.6671 114.8697 58.4934 41.1147 177.9516 9 M 3.9166 8.5557 117.5025 59.0890 32.1460 177.8810 10 L 3.9195 8.4105 118.4688 58.4982 42.1289 179.8417 11 T 3.8168 8.3959 112.8095 65.1330 67.1261 175.8891 12 R 3.9385 8.8977 121.6910 59.5727 29.9863 178.4953 13 I 3.7631 7.9899 119.4630 64.9950 37.2070 177.6076 14 R 3.7901 8.5590 119.0996 60.1323 29.5939 177.6946 15 N 4.5855 9.2020 116.7523 56.3837 38.7455 177.9192 16 G 3.5741 7.7656 107.0112 47.8884 0.0000 175.6575 17 Q 4.0239 8.5520 121.5366 58.5565 28.5310 178.9055 18 A 3.9867 8.0560 120.4822 55.0585 18.4384 179.5943 19 A 4.5685 7.4972 116.3164 52.4359 20.5266 176.6313 20 N 5.1878 8.1039 114.8878 54.6416 37.0957 175.0508 21 K 4.2089 8.1789 117.6738 56.3729 33.3034 175.8286 22 A 4.5156 8.5130 124.4770 52.5855 21.0561 176.6525 23 A 5.1058 7.9178 114.6355 50.1563 22.6190 175.8944 24 V 4.5295 8.7279 119.6036 61.2855 34.6864 174.6174 25 T 5.2579 8.1959 117.4863 60.2502 71.6513 173.3376 26 M 4.3417 8.5339 117.1784 53.9554 34.6875 172.4879 27 P 4.6765 0.0000 0.0000 63.7571 32.0712 175.5324 28 S 4.9665 8.6596 118.1723 57.0906 64.9504 173.1185 29 S 4.6832 8.3399 115.3516 55.6281 65.7450 175.1463 30 K 3.8282 9.0077 122.2010 59.9223 31.6753 179.0769 31 L 3.9050 7.8746 119.4822 58.0836 42.0665 178.5067 32 K 3.8377 7.8384 118.5468 60.1455 31.9732 178.5416 33 V 3.5063 7.9479 117.4283 66.1952 31.3225 177.4438 34 A 3.9122 8.2810 119.7981 55.7860 18.2082 179.2150 35 I 3.5695 8.0384 117.6087 64.5621 37.1102 177.9642 36 A 3.9939 8.6423 121.2507 56.3613 18.2145 179.3171 37 N 3.8317 8.3461 114.1584 56.6287 39.0942 176.6521 38 V 3.5942 8.0588 119.4258 66.1475 31.6990 177.9281 39 L 4.1946 8.0436 118.5954 58.4689 41.4991 178.9094 40 K 4.2782 8.5027 120.9007 59.2204 31.7499 177.4845 41 E 4.3666 8.4961 117.0761 56.6370 29.6536 176.9979 42 E 4.5441 8.0194 114.1444 55.1789 31.0520 176.5793 43 G 3.8241 8.4973 108.6278 45.5435 0.0000 175.6690 44 F 4.3395 8.0027 117.0356 58.9281 39.1605 175.0782 45 I 4.6165 7.2352 113.9025 59.5747 40.6452 175.6323 46 E 4.1032 9.3367 125.9508 58.5053 29.8361 176.4244 47 D 4.6876 7.6502 116.1155 52.4425 42.2130 176.0338 48 F 4.7574 9.2945 115.0148 58.0493 39.3574 173.8438 49 K 4.5983 8.3200 124.9120 56.8106 35.6174 174.6542 50 V 4.3909 8.5375 126.8614 59.7932 31.6818 176.5704 51 E 4.6484 8.3769 131.7182 56.2259 29.6593 175.2513 52 G 4.3090 7.6777 107.2223 44.0928 0.0000 170.1814 53 D 4.6301 7.9214 115.3919 53.8980 43.7761 176.0214 54 T 4.3637 7.9121 119.3979 62.6125 69.3897 175.2452 55 K 4.5781 7.4753 118.6435 53.8157 32.5580 173.3919 56 P 4.0401 0.0000 0.0000 62.6001 32.9961 176.0544 57 E 4.7369 8.8149 126.7823 53.8252 30.5636 174.1553 58 L 4.4831 8.4063 128.6977 55.3201 43.4498 175.2202 59 E 5.3385 9.3045 125.9969 54.5598 33.0152 174.3758 60 L 5.0597 9.0914 125.7151 53.3025 45.9089 175.7094 61 T 4.7586 8.4755 119.6443 61.8969 69.7836 174.6485 62 L 4.7084 8.3605 126.6798 54.6099 43.1133 176.8476 63 K 4.9263 8.4183 116.2311 55.0285 36.0029 175.4049 64 Y 5.0696 8.7285 120.4778 56.3494 42.7846 173.1522 65 F 5.3577 8.6543 125.8153 58.8256 38.8300 178.6491 66 Q 4.6263 8.9348 121.9344 55.6261 27.4537 176.3948 67 G 4.0719 8.8979 115.7409 46.2197 0.0000 172.4849 68 K 4.5614 7.6134 118.0263 54.1267 36.1396 175.4941 69 A 4.1190 7.9682 123.3904 50.7819 20.0096 177.9249 70 V 3.6669 7.8131 118.7705 65.7426 31.5488 176.7796 71 V 4.1747 7.4047 120.0653 60.9028 30.0124 174.2735 72 E 4.1193 8.6109 126.0762 58.5620 29.9225 177.2566 73 S 4.6400 8.0982 110.6564 57.3872 66.7496 174.1348 74 I 4.8254 8.2883 121.9515 59.9426 39.9978 173.7836 75 Q 4.7234 8.8541 128.8554 54.0228 31.6143 175.0512 76 R 4.2895 8.3889 122.5313 56.9970 31.2795 173.4643 77 V 3.6888 8.1641 124.7477 62.7633 32.1347 178.1807 78 S 3.9049 5.8100 109.3799 58.7350 63.1568 172.3918 79 R 4.7280 8.1829 122.5703 53.0751 32.4145 174.4689 80 P 4.1910 0.0000 0.0000 65.7677 31.1892 178.1411 81 G 3.6047 8.0431 106.7424 47.9366 0.0000 173.0674 82 L 4.3110 7.6131 116.6392 54.3966 44.0014 173.2949 83 R 4.0337 8.2221 123.0284 55.5728 30.9708 176.2468 84 I 4.3352 8.3584 121.6618 59.6094 40.5238 174.0424 85 Y 5.1184 8.4867 124.0794 56.2566 39.9954 175.0706 86 K 4.3307 8.5409 123.7054 54.8179 35.0667 176.6537 87 R 4.1827 8.9728 122.5752 56.8402 30.9907 177.4550 88 K 4.3830 7.6171 117.5308 58.3504 39.5162 177.8465 89 D 4.3374 8.2188 118.6495 56.2929 40.8239 177.1757 90 E 4.2297 8.1144 116.2128 56.8002 29.9922 176.5349 91 L 4.0374 7.8443 120.8336 54.1968 41.8534 175.0920 92 P 4.4015 0.0000 0.0000 61.9564 32.1788 175.6200 93 K 4.5066 8.2830 121.4815 54.6704 33.8923 176.0520 94 V 3.4211 8.0495 124.2675 63.8877 32.4312 175.5119 95 M 3.0921 9.1342 124.5211 57.4881 29.4527 177.0383 96 A 3.9040 8.7722 115.0081 51.7504 17.0894 177.1043 97 G 3.5932 7.4602 112.9222 46.8767 0.0000 174.9736 98 L 4.1038 7.1067 125.5538 57.4508 40.6081 176.6779 99 G 4.2614 8.7948 110.7143 44.2388 0.0000 170.7850 100 I 4.8712 8.4000 112.2482 58.8507 41.8796 174.1532 101 A 4.9918 8.5656 122.5220 48.5723 21.1976 175.0775 102 V 3.9363 8.4950 121.6072 64.7977 31.8345 175.7275 103 V 4.4813 8.2974 121.8784 60.0782 34.3498 174.9542 104 S 4.9787 8.8019 116.0847 56.9226 65.4529 172.8428 105 T 4.9967 8.9254 116.6275 59.5056 71.6468 174.0532 106 S 4.1765 8.9114 115.7732 60.9190 63.4197 175.5393 107 K 4.2636 7.4294 121.3304 54.9691 31.0976 175.3772 108 G 3.7355 7.8908 106.9842 44.5196 0.0000 171.2975 109 V 4.2934 7.8920 118.3384 61.7525 31.5498 175.0203 110 M 4.9531 8.1309 128.7732 53.7462 35.8540 174.5180 111 T 4.5921 8.1559 109.8580 60.8896 71.9333 175.3321 112 D 4.2932 8.5879 120.8365 57.0052 39.2802 178.3528 113 R 3.7282 7.8854 119.7887 59.4521 30.2540 177.1558 114 A 3.8661 8.4486 119.2751 55.2593 18.2393 178.9230 115 A 3.9075 8.8991 117.0758 55.2815 18.6447 180.0757 116 R 3.9058 8.4181 117.1062 59.3826 29.8864 178.7664 117 Q 4.0157 7.9608 117.0828 58.8792 28.9290 178.2326 118 A 4.1998 8.1036 118.8142 52.0201 18.9646 177.0255 119 G 3.8905 7.8265 105.5264 45.9338 0.0000 172.7475 120 L 4.5318 7.6150 118.1554 55.5135 43.1917 174.5815 121 G 4.4667 7.5461 103.9340 47.6503 0.0000 172.9265 122 G 4.7277 7.7788 105.2686 47.1604 0.0000 171.6047 123 E 4.9054 8.7959 123.2534 55.5156 31.2872 177.1468 124 I 4.3477 8.2326 121.7867 59.7956 37.3124 176.2182 125 I 3.8344 8.2040 131.5534 64.5469 37.9610 175.3212 126 C 4.8624 7.6834 113.1380 57.8218 33.2695 171.0414 127 Y 5.2319 8.8485 116.2642 56.3645 40.7520 175.5983 128 V 4.8233 8.8311 122.0206 61.1478 35.6791 175.1095 129 A 4.3416 8.6033 127.3042 52.3526 19.4353 175.8822 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 S 8.19 4.41 0.00 3.87 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 2 M 8.62 4.14 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 3 Q 8.21 4.01 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 4 D 8.00 4.62 0.00 2.67 2.48 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 5 P 0.00 4.31 0.00 2.30 2.28 0.00 3.76 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.05 0.00 6 I 7.84 3.59 1.84 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 1.56 0.84 0.89 0.00 0.00 7 A 8.23 3.93 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 8 D 7.67 4.25 0.00 2.83 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 9 M 8.56 3.92 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.64 0.00 10 L 8.41 3.92 0.00 1.84 1.70 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.40 3.82 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 1.26 0.00 0.00 12 R 8.90 3.94 0.00 2.13 1.98 0.00 3.36 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 13 I 7.99 3.76 2.12 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 1.44 0.53 0.93 0.00 0.00 14 R 8.56 3.79 0.00 1.89 2.02 0.00 3.11 0.00 0.00 3.16 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 15 N 9.20 4.59 0.00 2.87 2.90 0.00 0.00 7.08 7.78 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 16 G 7.77 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.55 4.02 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.60 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 18 A 8.06 3.99 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 19 A 7.50 4.57 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 20 N 8.10 5.19 0.00 2.93 2.98 0.00 0.00 6.92 7.75 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 21 K 8.18 4.21 0.00 1.96 1.76 0.00 1.81 0.00 0.00 1.93 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.56 7.81 22 A 8.51 4.52 1.17 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 0.00 0.00 23 A 7.92 5.11 1.18 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 0.00 0.00 24 V 8.73 4.53 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 1.11 0.00 0.00 0.97 0.00 0.00 25 T 8.20 5.26 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 1.22 0.00 0.00 26 M 8.53 4.34 0.00 2.09 2.16 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 2.35 2.38 0.00 27 P 0.00 4.68 0.00 1.96 2.06 0.00 3.65 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 28 S 8.66 4.97 0.00 3.98 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 29 S 8.34 4.68 0.00 3.99 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 30 K 9.01 3.83 0.00 1.78 1.93 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.54 1.48 7.81 31 L 7.87 3.90 0.00 1.75 1.65 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.84 3.84 0.00 2.16 1.90 0.00 1.76 0.00 0.00 1.59 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.49 7.81 33 V 7.95 3.51 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 0.98 0.00 0.00 0.94 0.00 0.00 34 A 8.28 3.91 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 35 I 8.04 3.57 2.11 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 1.45 0.77 0.91 0.00 0.00 36 A 8.64 3.99 1.44 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 0.00 0.00 0.00 37 N 8.35 3.83 0.00 2.59 2.95 0.00 0.00 6.95 8.57 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 38 V 8.06 3.59 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 1.03 0.00 0.00 0.94 0.00 0.00 39 L 8.04 4.19 0.00 1.98 1.84 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.50 4.28 0.00 1.94 2.01 0.00 1.82 0.00 0.00 1.97 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.51 1.58 7.81 41 E 8.50 4.37 0.00 2.00 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 2.33 2.40 0.00 42 E 8.02 4.54 0.00 2.24 2.07 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 2.39 2.46 0.00 43 G 8.50 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 44 F 8.00 4.34 0.00 3.11 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 45 I 7.24 4.62 2.07 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.84 1.03 0.00 0.00 46 E 9.34 4.10 0.00 2.00 2.03 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 2.32 2.27 0.00 47 D 7.65 4.69 0.00 2.69 2.71 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 48 F 9.29 4.76 0.00 3.12 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 49 K 8.32 4.60 0.00 1.80 2.02 0.00 1.61 0.00 0.00 1.92 0.00 0.00 2.79 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.13 0.78 7.81 50 V 8.54 4.39 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 0.85 0.00 0.00 0.98 0.00 0.00 51 E 8.38 4.65 0.00 1.96 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 2.24 2.25 0.00 52 G 7.68 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 53 D 7.92 4.63 0.00 2.62 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 54 T 7.91 4.36 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 1.21 0.00 0.00 55 K 7.48 4.58 0.00 1.73 1.69 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.42 7.81 56 P 0.00 4.04 0.00 2.08 2.05 0.00 3.57 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 57 E 8.81 4.74 0.00 2.08 1.84 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 2.29 2.34 0.00 58 L 8.41 4.48 0.00 1.76 1.75 0.99 1.17 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 59 E 9.30 5.34 0.00 1.92 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 0.00 2.39 2.41 0.00 60 L 9.09 5.06 0.00 1.62 1.55 0.97 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.48 4.76 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 1.21 0.00 0.00 62 L 8.36 4.71 0.00 1.85 2.08 1.00 1.35 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 63 K 8.42 4.93 0.00 1.78 1.69 0.00 1.72 0.00 0.00 1.85 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.44 7.81 64 Y 8.73 5.07 0.00 2.97 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 65 F 8.65 5.36 0.00 2.82 2.30 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 66 Q 8.93 4.63 0.00 2.01 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.26 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 67 G 8.90 4.07 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 0.00 68 K 7.61 4.56 0.00 1.77 1.66 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.36 7.81 69 A 7.97 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 7.81 3.67 2.11 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 0.77 0.00 0.00 0.88 0.00 0.00 71 V 7.40 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 0.76 0.00 0.00 1.02 0.00 0.00 72 E 8.61 4.12 0.00 2.00 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 0.00 2.32 2.40 0.00 73 S 8.10 4.64 0.00 3.88 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 74 I 8.29 4.83 1.79 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.76 0.88 0.00 0.00 75 Q 8.85 4.72 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 76 R 8.39 4.29 0.00 1.76 1.74 0.00 3.28 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 77 V 8.16 3.69 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 0.45 0.00 0.00 -0.16 0.00 0.00 78 S 5.81 3.90 0.00 3.63 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 79 R 8.18 4.73 0.00 1.91 1.91 0.00 2.79 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.45 0.00 80 P 0.00 4.19 0.00 2.18 2.22 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 81 G 8.04 3.60 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 0.00 0.00 0.00 82 L 7.61 4.31 0.00 1.57 1.44 0.87 0.94 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 83 R 8.22 4.03 0.00 1.63 1.26 0.00 3.29 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 84 I 8.36 4.34 1.67 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 1.20 1.69 0.83 0.00 0.00 85 Y 8.49 5.12 0.00 2.81 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 86 K 8.54 4.33 0.00 1.74 1.72 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.46 7.81 87 R 8.97 4.18 0.00 1.84 1.85 0.00 3.17 0.00 0.00 3.23 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 88 K 7.62 4.38 0.00 1.88 2.13 0.00 1.51 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.41 7.81 89 D 8.22 4.34 0.00 2.68 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 90 E 8.11 4.23 0.00 2.06 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 2.31 2.34 0.00 91 L 7.84 4.04 0.00 1.89 1.65 1.03 1.22 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 92 P 0.00 4.40 0.00 2.14 2.14 0.00 3.78 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 93 K 8.28 4.51 0.00 1.81 1.81 0.00 1.55 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.26 1.34 7.81 94 V 8.05 3.42 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 0.99 0.00 0.00 0.44 0.00 0.00 95 M 9.13 3.09 0.00 2.22 2.29 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.48 0.00 96 A 8.77 3.90 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 97 G 7.46 3.59 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 0.00 0.00 0.00 98 L 7.11 4.10 0.00 1.65 1.68 0.93 1.48 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 99 G 8.79 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 0.00 0.00 0.00 0.00 100 I 8.40 4.87 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.78 1.05 0.00 0.00 101 A 8.57 4.99 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 0.00 102 V 8.50 3.94 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 0.97 0.00 0.00 0.92 0.00 0.00 103 V 8.30 4.48 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 0.81 0.00 0.00 0.96 0.00 0.00 104 S 8.80 4.98 0.00 3.88 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 0.00 105 T 8.93 5.00 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 1.26 0.00 0.00 106 S 8.91 4.18 0.00 3.99 4.04 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 0.00 107 K 7.43 4.26 0.00 1.62 1.82 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.36 7.81 108 G 7.89 3.74 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 0.00 0.00 0.00 109 V 7.89 4.29 2.07 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 0.90 0.00 0.00 0.93 0.00 0.00 110 M 8.13 4.95 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.46 0.00 111 T 8.16 4.59 4.28 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 1.25 0.00 0.00 112 D 8.59 4.29 0.00 2.99 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 0.00 113 R 7.89 3.73 0.00 1.91 1.96 0.00 3.21 0.00 0.00 3.35 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 114 A 8.45 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 0.00 115 A 8.90 3.91 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 0.00 116 R 8.42 3.91 0.00 2.01 2.08 0.00 3.11 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 1.63 1.67 0.00 117 Q 7.96 4.02 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.71 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 118 A 8.10 4.20 1.32 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 0.00 0.00 119 G 7.83 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 0.00 0.00 0.00 120 L 7.62 4.53 0.00 1.68 1.65 0.99 0.86 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 0.00 121 G 7.55 4.47 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 0.00 122 G 7.78 4.73 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 0.00 0.00 0.00 123 E 8.80 4.91 0.00 2.47 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 0.00 2.33 2.28 0.00 124 I 8.23 4.35 1.90 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 1.13 0.51 0.96 0.00 0.00 125 I 8.20 3.83 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 1.27 0.72 0.87 0.00 0.00 126 C 7.68 4.86 0.00 3.23 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 0.00 127 Y 8.85 5.23 0.00 2.77 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 0.00 128 V 8.83 4.82 1.49 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 0.21 0.00 0.00 0.76 0.00 0.00 129 A 8.60 4.34 1.19 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 0.00 0.00