NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.3143 8.1227 122.4367 52.0684 19.6361 174.5167 4 V 4.1951 8.0785 120.1271 62.1214 33.4119 173.1586 5 T 4.6500 10.2075 124.8889 61.9905 72.2492 172.6872 6 Q 4.0477 8.5948 125.3218 54.2560 28.9906 175.5077 7 S 3.6414 8.3621 111.6704 60.6940 62.3753 171.8017 8 P 4.7027 0.0000 0.0000 61.8664 33.0457 176.6469 9 R 4.3138 8.6302 122.0030 57.9889 31.5897 175.3892 10 N 5.3767 8.1744 116.7268 51.7369 41.2828 173.7861 11 K 4.7974 9.1462 125.9327 54.6543 35.7911 175.6321 12 V 4.9937 8.1232 121.2287 61.7405 35.1415 173.8912 13 A 4.5741 8.5660 124.4974 51.1239 22.8218 175.5037 14 V 4.3732 8.1145 119.1900 61.5107 33.8065 175.7045 15 T 3.8156 8.5031 122.7547 65.4521 68.7874 174.5180 16 G 3.9619 8.4692 112.1139 46.2606 0.0000 173.2633 17 G 4.0957 7.5443 105.5751 43.3050 0.0000 173.1885 18 K 4.3059 8.6871 126.5393 57.5997 32.9696 175.9724 19 V 4.3634 8.3672 123.7965 62.3153 35.3299 172.3342 20 T 4.9824 8.4882 123.3965 61.6860 72.0064 173.3336 21 L 4.8215 8.3896 123.0084 53.0178 45.1808 175.9158 22 S 5.2993 8.8376 118.1132 56.8337 66.1273 173.4591 23 C 5.5567 8.9800 120.5832 55.2638 45.8064 172.0522 24 N 5.6657 8.7838 120.2987 52.3794 42.6787 173.5917 25 Q 4.7568 8.7446 123.1428 54.7399 30.5318 174.4759 26 T 3.8321 8.1421 122.2398 65.0996 69.2738 173.7701 27 N 4.1908 9.1386 123.3370 53.0945 34.8145 171.6900 28 N 4.0889 8.3080 119.4502 54.2778 38.7407 174.2984 29 H 4.6612 7.9404 123.0208 54.0618 29.0718 174.7540 30 N 3.6636 7.3758 117.9955 54.7594 39.4208 174.5230 31 N 4.7767 7.7838 114.8800 51.2576 39.0189 174.1631 32 M 4.6059 7.4248 119.8277 54.0273 35.9291 172.8758 33 Y 5.1253 7.9308 115.3461 59.4740 42.1076 175.8343 34 W 5.0664 8.5283 111.4418 57.9230 32.5275 173.8198 35 Y 5.2332 9.8449 124.8380 56.6377 40.7488 174.4628 36 R 4.7222 8.4018 116.8702 55.1253 31.9485 175.0367 37 Q 4.2947 9.3476 124.8890 55.6128 29.7538 175.8632 38 D 4.4977 8.5746 123.6058 52.7164 44.6518 173.8091 39 T 4.1718 8.7746 122.1491 65.7507 68.2329 174.3976 40 G 4.6424 7.7063 125.0874 46.2058 0.0000 171.0718 41 H 4.7467 8.2817 117.7262 53.0479 31.1580 174.0584 42 G 3.8469 9.0627 113.7537 46.2232 0.0000 175.3873 43 L 3.2398 8.2059 117.5334 57.2760 42.1250 176.6777 44 R 3.5984 7.8699 119.2799 56.7261 27.6517 174.9375 45 L 4.0681 7.9416 123.2777 53.8371 43.1484 176.0164 46 I 4.5273 8.0228 125.3666 60.2361 38.3974 175.8377 47 H 4.4269 8.9531 124.0687 54.7595 28.0097 173.7264 48 Y 4.9124 7.2800 118.8551 57.3194 40.4063 172.2776 49 S 4.6233 6.8569 114.1296 56.6881 65.7900 174.8014 50 Y 4.3047 8.6993 120.1232 60.0292 38.5693 175.7049 51 G 4.1934 7.5085 105.8299 43.4199 0.0000 171.9277 52 A 3.9384 8.7599 121.1585 55.5630 18.0677 179.0247 53 G 3.9357 7.9682 101.0386 45.6403 0.0000 173.4014 54 S 4.8065 7.4928 114.2239 57.5933 65.3107 174.2320 55 T 4.4984 7.9498 116.4335 62.7872 72.2221 173.0161 56 E 4.5251 8.8967 126.1531 53.7887 33.2600 175.9978 57 K 4.0484 8.6419 122.4093 56.1339 32.8034 177.9078 58 G 4.3824 8.6279 110.2242 46.3841 0.0000 174.9689 59 D 4.7054 8.8761 120.9759 55.1636 41.8014 176.8511 60 I 4.5691 7.5749 120.2549 59.9199 37.8693 174.6130 61 P 4.5474 0.0000 0.0000 63.6714 31.9678 171.3509 62 D 4.1812 10.1055 122.7982 55.2677 39.9086 173.4272 63 G 3.7669 8.7241 110.6529 45.5251 0.0000 171.9928 *65 Y 4.7186 7.2929 115.5782 58.3720 39.5358 174.2056 66 K 4.8291 8.6072 117.3082 55.4463 36.9562 175.4156 67 A 5.0004 8.7300 124.8604 50.2040 22.3229 175.3949 68 S 4.5542 9.1443 115.1018 56.5847 65.6761 173.4905 69 R 5.5345 8.6520 128.3728 53.6084 28.4251 173.9899 70 P 3.9874 0.0000 0.0000 64.1201 31.6085 177.2520 71 S 5.2854 7.9489 115.3981 58.8142 65.7466 178.9367 72 Q 2.7549 8.6037 130.7361 57.4160 28.8740 179.9282 73 E 3.2169 7.6369 119.2165 57.2316 33.0428 174.5143 74 N 5.9345 8.1136 122.9109 50.7854 41.0832 173.9103 75 F 5.3015 8.5886 126.9395 57.3719 42.7647 172.8170 76 S 5.3796 9.1410 122.6976 56.6976 66.0147 173.0054 77 L 4.5102 8.7720 125.9546 53.2838 43.7681 174.9966 78 I 4.4574 9.0259 128.7388 59.9538 39.6684 175.0805 79 L 4.8208 8.5953 126.0817 52.7216 42.7747 173.6754 80 E 4.2038 8.2614 121.2130 56.2856 30.4684 174.3713 81 L 3.3524 8.7774 127.6472 54.5631 39.5583 173.0592 82 A 4.2714 7.8186 125.3786 52.4145 19.5592 176.8190 83 T 4.5084 7.7506 110.7521 62.4954 72.0917 173.2333 84 P 4.7414 0.0000 0.0000 63.7202 31.5430 177.5750 85 S 4.2769 7.9946 113.1987 60.1940 63.9471 174.9458 86 Q 4.7429 8.1386 120.6850 55.6954 27.6480 175.9102 87 T 4.9903 7.7095 111.7407 63.1589 70.7576 173.6597 88 S 4.9925 7.8917 119.4210 58.2222 66.8126 173.6255 89 V 4.6634 8.2172 118.6200 61.3402 34.1580 174.8006 90 Y 5.0215 9.2086 126.4689 56.8078 39.7553 174.4619 91 F 5.5675 9.3163 123.6088 56.0514 41.6152 174.1450 92 C 4.7597 10.0040 123.8648 55.1400 47.2369 172.1366 93 A 5.2700 8.1901 123.9697 51.0185 22.4845 175.2415 94 S 5.2032 9.2453 115.3739 56.6461 67.0173 172.4126 95 G 4.1926 7.5629 103.7888 47.4864 0.0000 173.3425 96 G 5.0342 8.0212 115.6933 45.7343 0.0000 172.1586 97 Q 4.6344 7.9425 117.9008 53.3882 33.2478 175.6776 98 G 3.8228 8.2899 106.3884 46.7853 0.0000 174.1571 99 R 3.8690 8.5513 115.8637 57.4456 29.3767 176.4435 *104 A 3.9717 7.6572 119.2480 51.6397 19.6580 176.7676 105 E 4.0309 8.0480 122.8370 56.7062 30.0177 175.8083 106 Q 4.4427 8.1248 126.0906 54.3311 31.0163 175.5462 107 F 4.7436 9.1446 122.6576 55.7761 41.0231 174.9266 108 F 4.7615 8.8588 123.1769 57.0434 39.9239 176.8004 109 G 4.1967 9.3451 110.6835 45.1578 0.0000 171.3994 110 P 4.6441 0.0000 0.0000 63.9522 31.8917 176.8151 111 G 3.4017 8.6119 105.2287 44.5039 0.0000 173.1004 112 T 4.6843 8.1943 116.0729 61.5879 72.5341 173.1079 113 R 4.5515 9.1753 128.6863 55.5272 31.1815 174.6736 114 L 5.2339 9.0249 128.3664 53.5681 45.2415 174.9282 115 T 4.6787 8.5423 122.1264 61.9745 71.3392 173.5711 116 V 3.9181 8.5593 128.0241 61.6414 30.4743 175.6190 116A L 3.1394 9.7519 123.3285 56.1057 41.2677 183.2542 116B G 4.0020 7.7137 106.0096 45.9217 0.0000 174.5022 116C S 4.3471 9.0528 122.5434 58.1065 63.1896 173.9951 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 3 A 8.12 4.31 1.25 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 4 V 8.08 4.20 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 1.03 0.00 0.00 5 T 10.21 4.65 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 6 Q 8.59 4.05 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.88 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 7 S 8.36 3.64 0.00 4.01 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 8 P 0.00 4.70 0.00 2.23 2.05 0.00 3.87 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.99 0.00 9 R 8.63 4.31 0.00 1.78 2.02 0.00 3.24 0.00 0.00 3.45 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.59 0.00 10 N 8.17 5.38 0.00 2.67 2.68 0.00 0.00 6.76 6.68 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 11 K 9.15 4.80 0.00 1.65 1.62 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.47 7.81 12 V 8.12 4.99 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 0.84 0.00 0.00 0.93 0.00 0.00 13 A 8.57 4.57 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 14 V 8.11 4.37 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 0.96 0.00 0.00 0.92 0.00 0.00 15 T 8.50 3.82 4.22 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 1.18 0.00 0.00 16 G 8.47 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 0.00 0.00 0.00 17 G 7.54 4.10 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 0.00 0.00 0.00 18 K 8.69 4.31 0.00 1.73 1.69 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.41 7.81 19 V 8.37 4.36 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 0.73 0.00 0.00 0.86 0.00 0.00 20 T 8.49 4.98 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 1.17 0.00 0.00 21 L 8.39 4.82 0.00 1.17 1.26 0.74 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.84 5.30 0.00 3.96 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 C 8.98 5.56 0.00 3.03 3.04 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 24 N 8.78 5.67 0.00 2.92 2.61 0.00 0.00 6.95 6.55 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 25 Q 8.74 4.76 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.59 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 26 T 8.14 3.83 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 1.19 0.00 0.00 27 N 9.14 4.19 0.00 2.76 3.10 0.00 0.00 6.94 8.00 0.00 0.00 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 N 8.31 4.09 0.00 2.63 2.76 0.00 0.00 7.03 7.89 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 29 H 7.94 4.66 0.00 3.41 3.48 0.00 5.74 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 7.38 3.66 0.00 2.83 2.74 0.00 0.00 6.92 7.88 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 31 N 7.78 4.78 0.00 2.95 3.06 0.00 0.00 6.55 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 32 M 7.42 4.61 0.00 1.80 1.40 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 33 Y 7.93 5.13 0.00 3.00 2.75 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 34 W 8.53 5.07 0.00 3.39 3.11 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 35 Y 9.84 5.23 0.00 3.09 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 36 R 8.40 4.72 0.00 1.08 1.57 0.00 3.05 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 37 Q 9.35 4.29 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.84 0.00 0.00 0.00 0.00 0.00 2.52 2.81 0.00 38 D 8.57 4.50 0.00 2.55 2.64 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 39 T 8.77 4.17 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 1.19 0.00 0.00 40 G 7.71 4.64 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 0.00 41 H 8.28 4.75 0.00 3.18 3.38 0.00 5.27 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 42 G 9.06 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 43 L 8.21 3.24 0.00 1.53 1.77 0.78 0.12 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 44 R 7.87 3.60 0.00 2.16 1.98 0.00 3.07 0.00 0.00 3.09 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 45 L 7.94 4.07 0.00 0.61 1.41 0.79 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.02 4.53 1.57 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.73 0.53 0.00 0.00 47 H 8.95 4.43 0.00 3.49 3.54 0.00 5.82 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 7.28 4.91 0.00 3.15 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 49 S 6.86 4.62 0.00 3.98 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 50 Y 8.70 4.30 0.00 3.04 2.92 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 51 G 7.51 4.19 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 0.00 52 A 8.76 3.94 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 53 G 7.97 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 0.00 0.00 0.00 54 S 7.49 4.81 0.00 3.93 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 55 T 7.95 4.50 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 1.24 0.00 0.00 56 E 8.90 4.53 0.00 1.16 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 1.63 1.47 0.00 57 K 8.64 4.05 0.00 1.59 1.73 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.30 1.38 7.81 58 G 8.63 4.38 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 0.00 59 D 8.88 4.71 0.00 2.79 2.76 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 60 I 7.57 4.57 1.82 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 1.36 0.75 0.96 0.00 0.00 61 P 0.00 4.55 0.00 2.24 2.17 0.00 4.06 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 2.03 2.13 0.00 62 D 10.11 4.18 0.00 2.97 2.84 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 63 G 8.72 3.77 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 0.00 *65 Y 7.29 4.72 0.00 2.71 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 66 K 8.61 4.83 0.00 1.77 1.63 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.41 7.81 67 A 8.73 5.00 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 68 S 9.14 4.55 0.00 3.86 3.68 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 69 R 8.65 5.53 0.00 2.11 2.07 0.00 3.54 0.00 0.00 3.52 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.06 0.00 70 P 0.00 3.99 0.00 2.26 2.24 0.00 4.20 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 2.20 2.05 0.00 71 S 7.95 5.29 0.00 4.03 3.97 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 72 Q 8.60 2.75 0.00 2.18 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.17 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 73 E 7.64 3.22 0.00 2.25 2.50 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 0.00 2.36 2.45 0.00 74 N 8.11 5.93 0.00 2.82 2.81 0.00 0.00 6.84 6.64 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 75 F 8.59 5.30 0.00 3.03 2.84 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 76 S 9.14 5.38 0.00 3.80 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 77 L 8.77 4.51 0.00 0.27 0.13 0.53 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 78 I 9.03 4.46 1.78 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.42 0.82 0.00 0.00 79 L 8.60 4.82 0.00 1.44 1.29 0.57 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.26 4.20 0.00 1.79 1.83 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 2.23 2.23 0.00 81 L 8.78 3.35 0.00 1.70 1.68 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 82 A 7.82 4.27 1.28 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 0.00 0.00 83 T 7.75 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 1.20 0.00 0.00 84 P 0.00 4.74 0.00 2.04 2.11 0.00 3.71 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 85 S 7.99 4.28 0.00 4.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.14 4.74 0.00 2.21 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.44 0.00 0.00 0.00 0.00 0.00 2.19 2.47 0.00 87 T 7.71 4.99 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 1.31 0.00 0.00 88 S 7.89 4.99 0.00 4.11 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.22 4.66 2.04 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 0.64 0.00 0.00 0.90 0.00 0.00 90 Y 9.21 5.02 0.00 3.05 3.04 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 91 F 9.32 5.57 0.00 3.31 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 92 C 10.00 4.76 0.00 1.25 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 93 A 8.19 5.27 0.65 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 0.00 0.00 94 S 9.25 5.20 0.00 3.88 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 95 G 7.56 4.19 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 0.00 96 G 8.02 5.03 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 0.00 0.00 0.00 97 Q 7.94 4.63 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 98 G 8.29 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 99 R 8.55 3.87 0.00 1.95 2.07 0.00 3.24 0.00 0.00 3.21 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 *104 A 7.66 3.97 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 0.00 105 E 8.05 4.03 0.00 1.85 1.55 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 1.99 2.20 0.00 106 Q 8.12 4.44 0.00 1.49 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.60 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 107 F 9.14 4.74 0.00 2.84 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 0.00 108 F 8.86 4.76 0.00 2.81 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 0.00 109 G 9.35 4.20 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 0.00 0.00 0.00 110 P 0.00 4.64 0.00 2.27 2.28 0.00 3.86 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 111 G 8.61 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 0.00 0.00 0.00 112 T 8.19 4.68 4.50 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 0.00 0.00 0.00 1.30 0.00 0.00 113 R 9.18 4.55 0.00 1.85 1.80 0.00 3.04 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 114 L 9.02 5.23 0.00 1.88 1.76 0.94 0.36 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 0.00 115 T 8.54 4.68 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 0.00 116 V 8.56 3.92 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 0.80 0.00 0.00 1.01 0.00 0.00 116A L 9.75 3.14 0.00 1.62 1.58 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 116B G 7.71 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116C S 9.05 4.35 0.00 3.95 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 * Residues marked with a * may have inaccurate shift predictions.