NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3435 8.1733 120.0849 56.4950 34.1269 174.7018 4 I 3.8392 7.4947 121.2078 60.7728 38.0729 172.7710 5 R 5.4296 8.8907 128.7252 54.0664 32.5165 174.6704 6 I 4.8935 8.1241 118.3665 59.1413 40.8711 174.5402 7 K 4.5460 8.9152 124.9344 55.5297 34.3939 175.7861 8 L 4.8425 8.5241 122.4841 53.3741 43.4789 176.4960 9 R 4.3784 9.4271 123.6493 54.2203 33.0924 174.0343 10 G 3.8451 7.5368 108.5883 44.9376 0.0000 172.8487 11 F 5.1953 7.7273 120.0877 58.3617 43.6493 174.0829 12 D 4.4363 8.4709 119.3369 55.3512 41.3801 177.1690 13 H 4.5113 8.6774 119.0815 56.4616 29.1711 176.7109 14 K 3.8440 7.7062 121.0019 57.9817 32.8059 177.4712 15 T 4.3925 7.6589 108.6295 63.1004 69.2746 176.1026 16 L 4.0265 8.5591 122.8410 57.0205 42.0616 177.8008 17 D 4.7343 7.6526 117.0284 56.2238 41.7637 178.0788 18 A 4.0517 7.8205 121.2419 54.9569 18.4013 179.4373 19 S 4.1931 8.1616 111.1007 60.7061 63.1385 175.8045 20 A 4.2814 7.3704 125.0057 54.3046 17.2795 178.9843 21 Q 3.8973 7.9787 117.5913 58.4525 29.0795 177.9756 22 K 3.9665 7.8684 120.6745 59.4377 32.0213 179.6150 23 I 4.2880 7.0027 117.4152 61.5563 36.3828 177.1927 24 V 4.3314 8.2022 120.8436 62.8108 33.3039 175.9698 25 E 4.3330 7.7097 115.5135 56.6520 30.0666 176.4391 26 A 4.6146 8.0048 118.5922 51.6778 20.1224 176.2139 27 A 5.0391 7.6549 119.4905 52.9743 20.6202 180.3427 28 R 4.1637 8.0175 115.0630 59.4452 30.4205 178.7592 29 R 3.8880 8.1118 116.5802 59.1373 30.2047 176.7828 30 S 4.6903 8.4373 109.7322 57.4133 64.5013 171.3968 31 G 3.9882 7.3170 113.2411 44.2438 0.0000 178.0627 32 A 4.1727 8.6454 125.8273 51.7148 19.0957 177.9971 33 Q 4.3076 8.3622 118.2223 55.9850 30.3656 175.5869 34 V 4.8045 8.0464 120.9639 60.7093 34.2952 175.0979 35 S 4.1337 8.4015 122.4776 58.3954 63.1296 174.7062 36 G 3.8542 8.9132 114.0259 44.5048 0.0000 170.1242 37 P 4.3723 0.0000 0.0000 63.0100 31.7928 176.1249 38 I 4.4982 8.6013 119.8136 58.4409 39.8497 172.8679 39 P 5.0182 0.0000 0.0000 61.3367 32.1200 175.0920 40 L 4.7446 8.3713 125.2294 52.8013 42.9739 174.5777 41 P 4.1970 0.0000 0.0000 63.4654 31.2849 176.1430 42 T 3.8827 8.4384 120.1260 63.8339 69.0545 174.8695 43 R 4.2866 8.6310 126.3578 55.2131 29.8303 176.1049 44 V 3.8375 8.0299 123.2999 62.7782 32.9043 175.8335 45 R 4.5281 8.1321 125.1456 54.6978 30.8117 172.4739 46 R 4.3225 7.9565 121.3126 54.0168 31.9936 175.5426 47 F 4.9375 7.1620 114.7569 55.6186 40.8165 173.9555 48 T 4.5722 8.8113 120.2416 62.2066 69.8668 174.1815 49 V 4.4715 8.4028 126.3733 60.9091 34.4942 175.0052 50 I 4.0305 8.3514 127.7678 60.7360 36.7937 176.7318 51 R 3.8751 8.8541 126.1555 59.1560 30.4793 177.7726 52 G 3.8241 7.8952 107.5880 44.7085 0.0000 172.2644 53 P 4.7423 0.0000 0.0000 63.1494 32.8137 175.5302 54 F 5.2204 8.7232 119.4936 59.0960 40.4099 176.6697 55 K 4.4731 9.0567 111.7172 54.9533 33.0360 176.4893 56 H 4.8654 7.5380 117.1438 53.3631 29.7645 174.6296 57 K 4.1193 8.2026 120.9504 58.2333 32.4887 177.0963 58 D 4.5609 8.0242 117.6149 54.3242 42.8101 178.5300 59 S 3.6140 7.2236 111.3334 57.8430 60.3875 172.1371 60 R 4.5103 7.4199 121.2293 55.9266 32.1138 176.2720 61 E 4.5953 8.5495 120.7263 54.6010 31.7924 174.2844 62 H 4.8841 8.1977 120.9866 54.0588 31.2220 172.8490 63 F 5.0923 8.4332 120.2630 55.9482 41.7408 173.6117 64 E 4.4556 8.5199 117.6239 55.4799 32.1672 175.4743 65 L 4.3704 8.1250 125.4084 53.6215 42.2252 173.9355 66 R 4.3031 8.1812 121.2884 55.5033 30.2196 175.8519 67 T 4.4365 8.4244 120.3752 63.2096 68.6689 173.1266 68 H 4.6834 8.7497 123.7420 55.1825 29.2019 175.2377 69 N 4.9284 8.6537 121.1353 52.8517 40.2701 174.5214 70 R 4.6105 7.9165 117.2435 55.7955 34.4272 173.0063 71 L 5.1014 8.7447 126.4296 53.3394 45.6387 175.2598 72 V 4.8541 8.2965 122.6782 61.3682 35.4719 173.7450 73 D 5.1685 8.5696 124.7634 52.3521 45.1094 174.6647 74 I 4.5646 7.8231 112.3991 59.0312 39.3609 175.5669 75 I 3.9164 8.5079 120.7714 63.3030 38.0182 176.2854 76 N 4.9271 7.8791 119.4469 50.8011 41.6293 172.5289 77 P 4.5721 0.0000 0.0000 61.2725 30.0488 175.4184 78 N 4.5250 8.1192 124.0963 54.1762 39.3188 175.5175 79 R 4.7949 8.4242 118.5449 56.6194 30.1480 177.2020 80 K 4.3888 7.7327 117.6278 58.4986 33.7771 178.1006 81 T 4.1113 7.6614 110.6049 64.0991 68.4077 176.2029 82 I 3.6089 7.3068 122.8047 64.1394 36.9607 177.1940 83 E 4.2221 7.7863 117.2601 57.4771 28.5947 177.7455 84 Q 4.2648 7.6422 117.3178 59.0066 29.4720 177.6635 85 L 3.9473 8.7255 120.1582 58.1651 41.7777 179.3413 86 M 4.0832 7.6139 116.9003 57.8314 32.2147 176.6283 87 T 4.4482 7.2585 106.3113 61.2721 70.2768 174.7080 88 L 4.3998 7.5655 125.3698 53.3886 40.7439 173.9740 89 D 4.6981 7.8879 118.7259 52.5007 41.4477 176.6546 90 L 4.7680 8.1032 127.5949 52.3825 41.9559 173.5623 91 P 4.8966 0.0000 0.0000 61.2212 33.9041 175.5242 92 T 4.3922 8.6370 115.0255 63.3525 68.7033 175.5825 93 G 4.2454 7.8281 107.4225 45.2062 0.0000 171.7090 94 V 4.4788 7.8268 118.1371 60.6244 34.4387 174.1143 95 E 4.9240 8.6556 125.0635 54.4514 33.2935 174.6222 96 I 5.4923 8.0260 117.4215 59.9032 40.5218 174.1179 97 E 4.6758 8.7335 125.5219 54.9624 32.6750 174.8690 98 I 4.9642 8.0350 120.5332 60.2658 40.7592 174.7664 99 K 4.9068 9.8487 128.8081 55.1648 36.4839 175.1932 100 T 4.9014 8.2999 113.4651 61.1649 70.3879 174.6546 *101 V 3.9054 8.3743 122.8110 60.8460 32.3498 171.9093 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 K 8.17 4.34 0.00 1.73 1.83 0.00 1.63 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.69 7.81 4 I 7.49 3.84 1.87 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 1.23 1.26 0.91 0.00 0.00 5 R 8.89 5.43 0.00 1.89 1.77 0.00 3.07 0.00 0.00 3.31 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 6 I 8.12 4.89 1.92 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 1.22 0.93 0.91 0.00 0.00 7 K 8.92 4.55 0.00 1.76 1.74 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.39 1.54 7.81 8 L 8.52 4.84 0.00 1.72 1.53 0.97 0.96 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 9 R 9.43 4.38 0.00 1.71 1.79 0.00 3.07 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.55 0.00 10 G 7.54 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 11 F 7.73 5.20 0.00 3.03 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 12 D 8.47 4.44 0.00 2.80 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 13 H 8.68 4.51 0.00 3.19 3.10 0.00 5.45 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.71 3.84 0.00 1.55 1.79 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.36 7.81 15 T 7.66 4.39 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 16 L 8.56 4.03 0.00 1.82 1.79 1.00 1.15 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 17 D 7.65 4.73 0.00 3.01 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 18 A 7.82 4.05 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 19 S 8.16 4.19 0.00 4.04 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 20 A 7.37 4.28 1.48 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 0.00 0.00 21 Q 7.98 3.90 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 22 K 7.87 3.97 0.00 2.00 1.79 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.63 7.81 23 I 7.00 4.29 1.87 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 1.18 0.81 0.91 0.00 0.00 24 V 8.20 4.33 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 0.80 0.00 0.00 1.01 0.00 0.00 25 E 7.71 4.33 0.00 1.97 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 2.28 2.43 0.00 26 A 8.00 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.65 5.04 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 28 R 8.02 4.16 0.00 1.89 1.98 0.00 3.15 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.88 0.00 29 R 8.11 3.89 0.00 1.76 1.98 0.00 3.22 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 30 S 8.44 4.69 0.00 4.24 4.12 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 31 G 7.32 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.65 4.17 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 33 Q 8.36 4.31 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 34 V 8.05 4.80 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 35 S 8.40 4.13 0.00 3.98 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 36 G 8.91 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 37 P 0.00 4.37 0.00 1.95 2.05 0.00 3.65 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 38 I 8.60 4.50 1.87 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 1.47 0.72 0.97 0.00 0.00 39 P 0.00 5.02 0.00 2.10 2.12 0.00 3.75 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 1.92 1.95 0.00 40 L 8.37 4.74 0.00 1.67 1.71 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.20 0.00 2.19 2.13 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 42 T 8.44 3.88 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 1.06 0.00 0.00 43 R 8.63 4.29 0.00 1.79 1.90 0.00 3.28 0.00 0.00 3.10 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 44 V 8.03 3.84 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 0.65 0.00 0.00 0.94 0.00 0.00 45 R 8.13 4.53 0.00 2.01 1.75 0.00 3.61 0.00 0.00 3.28 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.86 0.00 46 R 7.96 4.32 0.00 1.56 1.58 0.00 3.08 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.43 0.00 47 F 7.16 4.94 0.00 2.99 3.05 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 48 T 8.81 4.57 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 1.21 0.00 0.00 49 V 8.40 4.47 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 1.05 0.00 0.00 1.03 0.00 0.00 50 I 8.35 4.03 1.89 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 1.43 1.10 0.95 0.00 0.00 51 R 8.85 3.88 0.00 1.89 2.05 0.00 3.39 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 52 G 7.90 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 53 P 0.00 4.74 0.00 2.26 2.21 0.00 3.82 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 54 F 8.72 5.22 0.00 2.91 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 55 K 9.06 4.47 0.00 1.35 1.38 0.00 0.98 0.00 0.00 1.28 0.00 0.00 2.34 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.70 0.21 7.81 56 H 7.54 4.87 0.00 3.15 3.17 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.20 4.12 0.00 1.72 1.86 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.38 7.81 58 D 8.02 4.56 0.00 2.72 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 59 S 7.22 3.61 0.00 4.00 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 60 R 7.42 4.51 0.00 1.98 1.95 0.00 2.98 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 61 E 8.55 4.60 0.00 1.98 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 2.02 0.00 62 H 8.20 4.88 0.00 3.13 3.10 0.00 5.56 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.43 5.09 0.00 3.21 3.07 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 64 E 8.52 4.46 0.00 1.79 1.75 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 2.17 2.27 0.00 65 L 8.12 4.37 0.00 1.89 1.63 0.57 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 66 R 8.18 4.30 0.00 1.77 1.76 0.00 3.29 0.00 0.00 3.20 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.83 0.00 67 T 8.42 4.44 4.46 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 1.23 0.00 0.00 68 H 8.75 4.68 0.00 3.18 3.33 0.00 5.89 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 69 N 8.65 4.93 0.00 2.61 2.76 0.00 0.00 6.95 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 70 R 7.92 4.61 0.00 1.80 1.70 0.00 3.04 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 71 L 8.74 5.10 0.00 1.75 1.42 0.95 1.01 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 72 V 8.30 4.85 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 0.98 0.00 0.00 0.93 0.00 0.00 73 D 8.57 5.17 0.00 2.66 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 0.00 0.00 0.00 74 I 7.82 4.56 1.87 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 1.37 0.93 0.91 0.00 0.00 75 I 8.51 3.92 1.87 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 1.31 0.59 0.96 0.00 0.00 76 N 7.88 4.93 0.00 2.62 2.67 0.00 0.00 6.97 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 77 P 0.00 4.57 0.00 2.21 2.07 0.00 3.82 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 78 N 8.12 4.52 0.00 2.83 2.86 0.00 0.00 7.02 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 79 R 8.42 4.79 0.00 1.80 1.93 0.00 3.32 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 80 K 7.73 4.39 0.00 1.83 1.85 0.00 1.61 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.71 7.81 81 T 7.66 4.11 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 1.22 0.00 0.00 82 I 7.31 3.61 1.87 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 1.53 0.94 0.91 0.00 0.00 83 E 7.79 4.22 0.00 1.91 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 2.34 0.00 84 Q 7.64 4.26 0.00 2.30 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.71 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 85 L 8.73 3.95 0.00 1.64 1.70 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 86 M 7.61 4.08 0.00 2.22 2.10 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 2.61 2.49 0.00 87 T 7.26 4.45 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 88 L 7.57 4.40 0.00 1.85 1.62 0.92 0.99 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 89 D 7.89 4.70 0.00 2.69 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 90 L 8.10 4.77 0.00 1.52 1.53 0.92 0.97 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 91 P 0.00 4.90 0.00 2.31 1.99 0.00 3.81 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.91 0.00 92 T 8.64 4.39 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 93 G 7.83 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 0.00 0.00 0.00 0.00 94 V 7.83 4.48 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 0.82 0.00 0.00 0.93 0.00 0.00 95 E 8.66 4.92 0.00 2.02 1.63 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 0.00 2.13 2.22 0.00 96 I 8.03 5.49 1.87 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 1.34 1.33 0.95 0.00 0.00 97 E 8.73 4.68 0.00 1.89 1.89 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 2.30 2.25 0.00 98 I 8.04 4.96 1.87 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 1.34 0.46 0.91 0.00 0.00 99 K 9.85 4.91 0.00 1.44 1.69 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.49 7.81 100 T 8.30 4.90 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 *101 V 8.37 3.91 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 0.68 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.