NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.5180 8.1749 117.3746 63.4546 70.0992 172.7887 2 S 4.6935 9.5902 122.1499 54.8937 66.0219 171.6404 3 I 5.3393 8.1930 117.9912 59.7234 41.0487 173.8019 4 M 4.9114 8.8222 119.9801 54.4182 35.0348 173.2245 5 A 5.0873 8.4188 120.6839 50.3434 22.2872 175.5218 6 V 4.5281 8.9737 122.8609 61.1579 34.6048 174.7497 7 T 4.8183 8.6696 118.1656 60.6774 70.1829 173.6243 8 F 5.0196 8.4520 118.5106 54.9245 41.5109 175.6509 9 K 4.0128 8.8108 121.2563 59.8396 31.9279 176.4543 10 D 4.6627 8.3865 114.6686 53.4954 42.6104 174.7136 11 G 4.1536 5.6453 114.0288 44.1211 0.0000 176.6772 12 V 4.9596 7.7770 118.5253 60.5105 33.7684 172.4541 13 I 4.7189 8.9065 122.1179 59.6390 41.0376 174.2177 14 L 5.1412 8.5945 125.5550 53.0818 43.9740 175.9863 15 G 4.3494 8.9401 109.0386 44.9588 0.0000 170.9856 16 A 5.6691 8.4100 120.0912 51.9425 22.1172 175.7536 17 D 4.7787 8.6450 120.0349 52.1973 42.0413 176.0504 18 S 4.9571 8.3350 110.4894 57.1946 64.1983 172.9408 19 R 5.1454 8.5134 121.2106 55.6478 31.7764 175.0926 20 T 4.8004 8.8694 116.6304 60.0369 71.4563 173.0736 21 T 5.1233 8.6373 115.1043 60.0933 71.9588 174.1784 22 T 4.4793 8.6649 112.4800 60.1546 69.9552 174.7048 23 G 4.1668 8.3418 121.7001 47.0903 0.0000 172.9868 24 A 4.3430 8.6056 126.3013 52.4585 19.5078 176.6453 25 Y 4.3518 7.6634 117.9958 56.7139 39.5210 174.7150 26 I 4.3201 7.2780 127.9051 59.6141 36.4418 175.2618 27 A 4.0626 8.1729 129.7617 54.4568 18.6755 177.8100 28 N 4.8354 7.7927 114.4644 52.3710 41.7767 174.6374 29 R 4.5109 8.6007 120.8951 56.4199 30.4186 176.4615 30 V 4.5729 7.7632 112.3539 61.2750 32.7876 176.2526 31 T 3.9682 8.2412 116.8068 64.1152 69.8294 173.4405 32 D 4.9843 8.6133 124.2342 52.7996 41.8413 175.6519 33 K 4.3520 8.6651 124.4780 56.7680 33.5980 176.3981 34 L 4.8632 8.2264 121.6687 54.1570 42.1854 176.0671 35 T 4.5338 8.8827 121.8217 61.5100 71.1142 174.1304 36 R 3.0943 7.9330 126.7341 55.1626 30.1405 176.1131 37 V 4.0698 7.6225 118.5914 61.9891 32.9606 174.9915 38 H 4.5872 7.5303 117.6271 55.0764 32.5395 173.6850 39 D 4.5330 8.3687 122.3310 57.2771 40.6432 179.7299 40 K 5.0536 8.1237 117.0615 56.2647 34.0288 175.3470 41 I 5.1181 8.1998 120.5788 59.6506 40.5978 175.0041 42 W 5.5250 9.7923 126.6937 55.1035 33.8428 173.8752 43 C 5.2839 9.4653 114.8714 57.4186 33.2935 172.5099 44 C 5.2781 9.1741 117.8283 58.2137 30.3137 173.2830 45 R 5.0148 8.2015 121.9742 54.9232 31.1435 176.1077 46 S 4.4945 8.9326 116.0797 57.9443 66.4863 172.5242 47 G 4.3367 8.9535 105.7862 44.0746 0.0000 174.0133 48 S 4.1357 9.6520 119.1556 57.9724 62.9736 175.2466 49 A 4.0323 8.8911 129.9759 55.1882 18.2176 179.0568 50 A 3.9383 7.9510 118.7207 55.4563 18.4671 179.4913 51 D 4.3325 8.4631 117.9883 57.7922 40.9589 179.2070 52 T 3.9882 8.5075 110.7160 64.7737 68.7499 176.7721 53 Q 3.9872 8.4085 120.8208 58.6784 28.7581 178.5182 54 A 3.9933 8.0885 121.7274 55.1947 18.3488 179.7452 55 I 3.6006 8.1367 118.3831 64.3629 37.1556 178.3643 56 A 3.9960 8.5083 121.8873 55.5333 18.2684 179.1673 57 D 4.3543 8.4278 117.5825 57.8642 40.8056 179.5437 58 I 3.7873 7.7796 120.0502 64.2608 37.0844 178.5938 59 V 3.3998 7.8431 119.4149 65.9079 31.2339 177.6923 60 Q 4.0724 8.3422 119.6884 59.4888 28.9832 177.7976 61 Y 4.0680 7.9340 120.3882 60.9464 38.7224 177.8432 62 H 3.7617 8.3201 117.2434 58.8788 28.8128 177.9374 63 L 3.9462 8.2424 121.0000 57.4883 41.4607 179.2133 64 E 3.9251 8.1388 119.7232 58.9979 29.1627 178.5147 65 L 3.8941 7.6066 120.1386 57.6922 41.9536 178.2818 66 Y 3.9669 8.2004 119.8640 60.9215 38.5998 177.8932 67 T 4.8430 7.8998 116.6598 66.5102 68.7194 176.1686 68 S 4.1523 7.5598 114.8447 61.3750 62.8464 176.0694 69 Q 4.0701 6.9812 118.2281 56.4311 29.4865 176.1128 70 Y 4.4606 7.7164 116.0139 57.6662 39.3108 175.3803 *72 G 4.0261 7.5462 108.9844 45.3736 0.0000 172.1494 73 T 4.2720 8.5449 115.6894 63.4067 68.7361 172.5958 74 P 4.5474 0.0000 0.0000 61.9168 32.8537 176.5732 75 S 4.4540 8.0695 114.8100 58.2146 65.1227 175.4429 76 T 3.9265 8.2814 118.9463 66.6044 68.1776 176.6171 77 E 3.9478 8.0733 121.0906 59.4891 29.7128 178.8393 78 T 3.8389 7.7004 115.2880 66.3599 68.4294 176.6750 79 A 3.9751 7.9413 122.3960 55.0627 18.3224 179.5911 80 A 4.1216 8.1882 119.4220 55.1990 18.3336 179.8570 81 S 4.0221 8.1088 111.9317 61.4657 62.4530 176.5819 82 V 3.5286 7.8383 121.0112 65.8719 31.1680 177.9379 83 F 3.9656 8.1953 117.5482 60.4393 38.8379 177.4524 84 K 3.9708 8.4580 119.3663 59.5351 32.0040 178.0429 85 E 3.9821 8.5219 119.8934 59.4808 29.6093 178.8824 86 L 3.9674 7.9098 118.5397 58.2125 41.5571 179.3115 87 C 4.2159 8.2400 115.4720 62.8987 28.4646 175.4985 88 Y 4.2303 8.7276 121.3643 60.7958 38.3441 177.2379 89 E 3.9186 8.1771 118.6743 58.2326 29.7254 176.8826 90 N 4.9884 7.8551 115.6490 52.3962 39.2602 176.6408 91 K 3.8593 7.6359 120.3080 59.9692 32.8272 177.8511 92 D 4.3066 7.6106 119.0312 56.9423 40.9287 177.6221 *94 N 5.1307 7.8947 113.6420 52.5257 40.0843 173.6909 95 L 5.1123 7.6612 116.8659 53.5099 45.3824 176.7790 96 T 4.7502 8.3691 116.6721 61.4549 69.5021 171.3684 97 A 5.1022 8.2592 124.0124 49.7533 22.8860 175.5331 98 G 4.1370 9.5821 110.0577 43.5740 0.0000 171.9280 99 I 5.0599 8.3789 126.3607 59.2225 40.6444 175.1131 100 I 4.3154 8.4231 127.0397 59.6016 39.2389 174.5885 101 V 4.6985 8.3122 127.0130 61.0217 33.2691 174.5603 102 A 4.8187 9.3522 129.7411 50.2045 21.9066 174.9684 103 G 4.5972 8.6878 107.8805 44.4156 0.0000 171.0931 104 Y 4.6857 8.8623 122.0441 55.4790 40.8867 175.1845 105 D 4.3058 7.9070 124.9534 54.1967 41.5112 175.3600 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 T 8.17 4.52 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 2 S 9.59 4.69 0.00 3.72 3.72 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 3 I 8.19 5.34 1.88 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 1.40 0.62 0.92 0.00 0.00 4 M 8.82 4.91 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 5 A 8.42 5.09 1.21 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 0.00 0.00 6 V 8.97 4.53 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 1.12 0.00 0.00 0.94 0.00 0.00 7 T 8.67 4.82 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 1.23 0.00 0.00 8 F 8.45 5.02 0.00 3.23 3.13 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 0.00 0.00 0.00 0.00 9 K 8.81 4.01 0.00 1.85 2.10 0.00 1.82 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.46 1.55 7.81 10 D 8.39 4.66 0.00 2.68 2.57 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 11 G 5.65 4.15 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 0.00 0.00 0.00 12 V 7.78 4.96 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 0.74 0.00 0.00 1.02 0.00 0.00 13 I 8.91 4.72 1.87 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.08 0.85 0.00 0.00 14 L 8.59 5.14 0.00 1.44 1.57 0.91 0.97 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 15 G 8.94 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 0.00 0.00 0.00 0.00 16 A 8.41 5.67 1.20 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 17 D 8.65 4.78 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 18 S 8.33 4.96 0.00 3.95 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.51 5.15 0.00 1.80 2.04 0.00 3.17 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 20 T 8.87 4.80 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 1.21 0.00 0.00 21 T 8.64 5.12 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 1.20 0.00 0.00 22 T 8.66 4.48 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 1.27 0.00 0.00 23 G 8.34 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 0.00 0.00 0.00 0.00 24 A 8.61 4.34 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 25 Y 7.66 4.35 0.00 3.06 3.02 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 26 I 7.28 4.32 1.57 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.55 0.80 0.00 0.00 27 A 8.17 4.06 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 28 N 7.79 4.84 0.00 2.57 2.60 0.00 0.00 6.83 7.53 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 29 R 8.60 4.51 0.00 1.91 1.95 0.00 3.00 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 30 V 7.76 4.57 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 0.70 0.00 0.00 1.01 0.00 0.00 31 T 8.24 3.97 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 1.23 0.00 0.00 32 D 8.61 4.98 0.00 2.70 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 33 K 8.67 4.35 0.00 1.79 1.85 0.00 1.82 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.49 7.81 34 L 8.23 4.86 0.00 1.89 1.91 0.92 0.92 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 35 T 8.88 4.53 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 1.19 0.00 0.00 36 R 7.93 3.09 0.00 0.67 1.13 0.00 3.09 0.00 0.00 2.90 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.50 0.00 37 V 7.62 4.07 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 0.89 0.00 0.00 1.08 0.00 0.00 38 H 7.53 4.59 0.00 3.13 3.14 0.00 5.90 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.37 4.53 0.00 2.68 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 40 K 8.12 5.05 0.00 1.84 2.06 0.00 1.78 0.00 0.00 2.11 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.57 7.81 41 I 8.20 5.12 1.98 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 1.37 1.06 1.03 0.00 0.00 42 W 9.79 5.52 0.00 3.18 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 43 C 9.47 5.28 0.00 2.78 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 44 C 9.17 5.28 0.00 2.82 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 45 R 8.20 5.01 0.00 1.77 1.88 0.00 3.20 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 46 S 8.93 4.49 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 47 G 8.95 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 0.00 0.00 0.00 0.00 48 S 9.65 4.14 0.00 3.82 3.98 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 49 A 8.89 4.03 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 50 A 7.95 3.94 1.33 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 0.00 0.00 0.00 51 D 8.46 4.33 0.00 2.83 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 52 T 8.51 3.99 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 1.30 0.00 0.00 53 Q 8.41 3.99 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 54 A 8.09 3.99 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 0.00 0.00 55 I 8.14 3.60 2.12 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 1.50 0.90 0.98 0.00 0.00 56 A 8.51 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.43 4.35 0.00 2.84 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 58 I 7.78 3.79 1.99 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 1.37 0.74 1.00 0.00 0.00 59 V 7.84 3.40 1.64 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 0.67 0.00 0.00 -0.21 0.00 0.00 60 Q 8.34 4.07 0.00 2.09 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 61 Y 7.93 4.07 0.00 3.11 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 62 H 8.32 3.76 0.00 3.29 3.25 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.24 3.95 0.00 1.59 1.56 0.87 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.14 3.93 0.00 2.04 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 0.00 2.25 2.29 0.00 65 L 7.61 3.89 0.00 1.48 1.51 0.83 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.20 3.97 0.00 3.27 3.09 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 0.00 0.00 0.00 67 T 7.90 4.84 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 1.27 0.00 0.00 68 S 7.56 4.15 0.00 3.93 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 69 Q 6.98 4.07 0.00 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.13 0.00 0.00 0.00 0.00 0.00 1.97 2.13 0.00 70 Y 7.72 4.46 0.00 2.20 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.55 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 0.00 0.00 0.00 73 T 8.54 4.27 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 1.31 0.00 0.00 74 P 0.00 4.55 0.00 1.69 1.12 0.00 3.70 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 1.77 1.66 0.00 75 S 8.07 4.45 0.00 4.03 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 76 T 8.28 3.93 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 1.26 0.00 0.00 77 E 8.07 3.95 0.00 2.00 1.91 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 2.35 2.38 0.00 78 T 7.70 3.84 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 0.74 0.00 0.00 79 A 7.94 3.98 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.19 4.12 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.11 4.02 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 82 V 7.84 3.53 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 0.78 0.00 0.00 0.84 0.00 0.00 83 F 8.20 3.97 0.00 3.41 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 84 K 8.46 3.97 0.00 1.89 2.02 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.72 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.48 1.59 7.81 85 E 8.52 3.98 0.00 2.29 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 0.00 2.32 2.46 0.00 86 L 7.91 3.97 0.00 1.94 1.72 0.82 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 87 C 8.24 4.22 0.00 3.04 3.09 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 0.00 0.00 0.00 88 Y 8.73 4.23 0.00 2.95 3.09 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 0.00 0.00 0.00 89 E 8.18 3.92 0.00 2.38 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 2.37 2.41 0.00 90 N 7.86 4.99 0.00 2.95 2.75 0.00 0.00 6.64 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 91 K 7.64 3.86 0.00 1.86 2.08 0.00 1.46 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.34 1.32 7.81 92 D 7.61 4.31 0.00 2.84 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 *94 N 7.89 5.13 0.00 2.73 2.88 0.00 0.00 7.06 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 95 L 7.66 5.11 0.00 1.59 1.54 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.37 4.75 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 1.22 0.00 0.00 97 A 8.26 5.10 1.23 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 0.00 0.00 0.00 98 G 9.58 4.14 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 0.00 0.00 0.00 99 I 8.38 5.06 1.67 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 1.32 0.73 0.39 0.00 0.00 100 I 8.42 4.32 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.88 0.89 0.00 0.00 101 V 8.31 4.70 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 0.87 0.00 0.00 0.43 0.00 0.00 102 A 9.35 4.82 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 0.00 103 G 8.69 4.60 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 0.00 104 Y 8.86 4.69 0.00 2.96 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 0.00 105 D 7.91 4.31 0.00 2.48 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.