NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 V 4.1291 8.0549 117.9084 60.3075 33.7186 175.2866 4 I 4.4301 8.0057 122.0073 57.9912 39.4445 173.8731 5 N 5.1187 8.6472 119.8287 51.7258 39.4818 173.7162 6 T 4.6145 7.6665 109.6830 60.7117 72.1682 175.2491 7 F 4.2652 8.4369 120.0532 60.8913 38.9041 177.7765 8 D 4.5078 8.2809 118.1654 57.2149 40.8466 178.6452 9 G 3.7757 7.8153 106.2155 48.0914 0.0000 175.8900 10 V 3.6494 7.9759 120.9123 65.2615 31.3980 177.7408 11 A 4.0573 8.2559 120.6905 55.6511 18.1207 179.4812 12 D 4.2692 8.9459 117.6893 57.2794 40.7488 178.4753 13 Y 4.0039 7.9503 119.7228 60.6938 38.9606 177.8047 14 L 3.8398 7.8784 119.8755 58.1506 41.5292 179.7893 15 Q 3.5466 7.3644 116.3305 58.4112 28.5914 178.4969 16 T 3.6015 6.7311 115.9539 65.8632 68.9739 176.1961 17 Y 4.1063 7.2017 115.3811 57.2120 38.3800 175.4884 18 H 3.2317 7.4683 115.9427 55.7087 26.6505 174.3079 19 K 4.5355 7.3849 115.1899 56.1617 34.6871 174.5397 20 L 4.2114 8.3072 119.5183 53.3793 42.4394 175.4143 21 P 3.6397 0.0000 0.0000 62.2860 31.7099 177.2993 22 D 4.5590 8.3097 118.9555 56.1822 40.9186 176.9744 23 N 4.5647 7.9869 116.4904 53.0825 37.5670 173.6980 24 Y 5.4986 7.8588 117.6760 56.1467 40.6008 174.6976 25 I 4.8475 7.9722 114.4529 59.7094 41.7234 174.6113 26 T 4.6833 8.8245 114.5766 60.9295 70.4425 175.7657 27 K 3.9861 9.4455 120.9398 59.5531 31.8391 179.8674 28 S 4.1939 8.1230 114.9737 61.7825 62.6660 176.4140 29 E 3.9863 7.7787 119.5134 59.2871 29.5142 179.0028 30 A 4.2112 8.4284 123.4069 56.0754 18.5600 180.0563 31 Q 4.4482 9.0831 120.5996 59.9676 27.8918 181.1079 32 A 4.3005 8.0038 121.5162 54.7877 18.5176 179.0349 33 L 4.3074 7.7210 115.2764 55.1946 41.9022 177.7349 34 G 4.1786 7.6564 107.9303 44.9659 0.0000 173.5520 35 W 4.5053 8.3800 130.7024 56.6533 31.4321 175.3389 36 V 3.8852 9.1708 124.9445 59.4003 32.5447 175.7373 37 A 3.3788 7.5266 128.1501 55.3015 18.0850 179.6704 38 S 4.3670 7.8297 109.5449 61.0963 62.9876 175.6320 39 K 4.2166 7.9351 117.8560 55.5746 32.3849 176.4937 40 G 3.0092 7.3494 107.3251 46.5326 0.0000 173.8238 41 N 5.0873 7.8036 111.6865 51.4918 38.3430 176.1024 42 L 4.0172 8.5210 122.1026 59.0074 41.8358 178.7013 43 A 4.2138 8.1057 117.5453 54.2601 18.5008 178.7294 44 D 4.4532 8.2256 118.2176 57.0681 40.8930 178.5373 45 V 4.1981 7.7390 109.4279 61.6911 33.6713 176.7093 46 A 4.6959 8.0886 121.3288 49.8134 20.1231 173.5594 47 P 4.3953 0.0000 0.0000 63.6343 32.2840 177.9289 48 G 3.9481 8.8364 110.1471 45.5909 0.0000 173.7228 49 K 4.5434 7.7211 118.5275 56.2239 33.4688 176.5398 50 S 4.4266 8.2321 116.5350 56.8125 67.9090 173.6174 51 I 4.2481 7.9733 123.7194 61.4294 37.9450 175.2597 52 G 4.3205 9.0826 111.7605 46.7938 0.0000 173.6380 53 G 4.3745 9.6216 109.8480 44.6590 0.0000 174.1555 54 D 4.7785 8.0055 119.6249 53.5614 42.4825 176.0157 55 I 4.2235 8.4039 122.4629 61.6386 38.0220 175.1708 56 F 4.7495 8.9528 131.2604 57.0797 40.1065 175.8381 57 S 3.9733 8.1932 123.1782 59.8660 62.4408 171.4840 58 N 4.0152 6.5357 116.9914 54.0863 36.8601 175.8352 59 R 3.7743 6.8860 114.7343 58.8036 30.1216 177.5945 60 E 4.1893 8.1163 114.2044 55.7928 29.7709 176.2650 61 G 3.9657 7.8451 107.0532 46.4671 0.0000 175.2177 62 K 4.1561 8.2152 118.9461 57.2176 32.7101 177.2810 63 L 4.0339 7.0083 118.4360 51.1538 43.6503 174.5810 64 P 4.2800 0.0000 0.0000 62.9781 31.6924 176.1411 65 G 4.2118 8.3054 112.9792 44.7998 0.0000 173.1147 66 K 4.3405 8.0751 119.5163 53.8512 35.1583 175.5667 *67 S 4.2993 8.7561 117.8839 59.6946 62.4377 175.7790 68 G 3.9093 8.7047 111.5368 44.9795 0.0000 173.4299 69 R 4.0256 7.9172 120.7663 55.6418 31.0246 175.3129 70 T 4.6128 8.2218 121.4895 61.5290 71.4677 173.1230 71 W 5.0832 8.6851 124.9845 55.1773 32.1229 175.1955 72 R 5.2238 8.3678 121.0911 54.3800 34.3894 173.8577 73 E 5.3984 9.0726 117.9217 54.8725 33.7219 174.2618 74 A 5.0646 8.7430 120.4140 50.4702 22.9988 175.4090 75 D 4.9708 9.3196 121.8535 54.3680 40.7959 176.1330 76 I 4.4434 8.1821 122.7051 60.2358 40.6692 175.9276 77 N 4.1781 9.1024 121.4633 54.0235 36.7037 173.7390 78 Y 4.2288 7.3807 121.2785 57.7867 39.3807 174.6496 79 T 3.9996 7.3924 121.7845 64.0695 70.7968 174.1112 80 S 4.3469 6.3482 111.1176 58.7150 65.8206 175.0862 81 G 3.8698 8.6297 106.4206 44.4833 0.0000 173.3174 82 F 4.4520 8.6034 118.8123 57.0673 39.7529 175.4491 83 R 4.2331 8.7455 122.5045 56.5508 30.7024 177.4134 84 N 4.8631 8.6166 119.1620 52.6722 39.8742 175.3675 85 S 4.2325 8.5644 115.4043 58.6063 64.7761 172.6620 86 D 5.5537 8.3351 121.6821 53.3614 42.4873 175.7821 87 R 5.2348 9.2926 121.5482 54.5647 35.3796 173.7117 88 A 5.4294 9.1828 124.3685 50.5009 21.6298 175.5756 89 L 5.3397 9.5245 123.4590 53.1289 44.3953 175.3311 90 Y 5.6973 8.7004 121.7499 55.4055 41.6467 175.3051 91 S 4.0486 8.4343 117.9951 56.6932 64.7096 175.3960 92 S 3.4914 7.8368 115.2741 60.3112 62.6306 174.8395 93 D 4.5024 7.2414 119.0099 52.1992 39.4490 175.7917 94 W 3.8446 6.2306 116.6322 58.4082 27.5414 174.6665 95 L 4.5699 8.5933 117.9149 54.5524 43.0178 176.7219 96 I 5.4843 8.7114 122.7062 60.0169 40.7429 174.2577 97 Y 5.2807 9.8624 124.2961 55.9786 42.1765 174.6332 98 K 5.3224 9.4009 119.8056 55.5961 36.5227 174.9544 99 T 4.9481 9.1892 115.8055 60.3528 70.7998 174.0446 100 T 5.0491 8.4030 116.2880 61.1811 69.5580 173.5843 101 D 4.6346 7.4597 120.6841 53.8940 39.8479 174.7861 102 H 3.3262 8.4960 110.9739 58.5368 26.6373 175.0853 103 Y 3.1144 7.0761 109.0744 59.1033 35.9268 172.0268 104 Q 4.2129 7.7380 119.8098 58.1217 29.2154 176.5993 105 T 4.7111 7.7488 105.8249 59.7312 71.5103 173.5324 106 F 5.4175 8.7908 121.1897 56.3235 43.1565 174.5154 107 T 4.8080 8.9459 117.1218 61.6167 72.9073 173.3572 108 K 3.4134 8.8041 128.1464 56.3427 32.2408 176.2085 109 I 4.4895 8.3903 119.4789 60.6820 39.8110 175.8771 110 R 4.1603 7.5417 126.9463 56.7437 31.0316 174.5141 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 V 8.05 4.13 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 0.94 0.00 0.00 0.93 0.00 0.00 4 I 8.01 4.43 1.83 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.92 0.94 0.00 0.00 5 N 8.65 5.12 0.00 2.78 2.85 0.00 0.00 6.41 7.22 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 6 T 7.67 4.61 4.29 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 1.21 0.00 0.00 7 F 8.44 4.27 0.00 3.11 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 8 D 8.28 4.51 0.00 2.75 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 9 G 7.82 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 0.00 0.00 0.00 10 V 7.98 3.65 2.20 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 0.86 0.00 0.00 1.05 0.00 0.00 11 A 8.26 4.06 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.95 4.27 0.00 2.81 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 13 Y 7.95 4.00 0.00 3.25 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 14 L 7.88 3.84 0.00 1.91 1.56 0.22 0.38 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 15 Q 7.36 3.55 0.00 1.83 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.88 0.00 0.00 0.00 0.00 0.00 2.44 2.58 0.00 16 T 6.73 3.60 3.01 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 0.22 0.00 0.00 17 Y 7.20 4.11 0.00 2.27 2.63 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 0.00 0.00 0.00 18 H 7.47 3.23 0.00 3.29 3.43 0.00 5.71 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.38 4.54 0.00 1.93 1.85 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.67 7.81 20 L 8.31 4.21 0.00 1.65 1.46 0.83 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 3.64 0.00 2.25 1.30 0.00 3.34 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 1.60 0.00 22 D 8.31 4.56 0.00 2.62 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 23 N 7.99 4.56 0.00 2.71 2.88 0.00 0.00 6.15 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 24 Y 7.86 5.50 0.00 3.12 2.96 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 25 I 7.97 4.85 1.92 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.73 0.90 0.00 0.00 26 T 8.82 4.68 4.61 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 0.00 0.00 1.28 0.00 0.00 27 K 9.45 3.99 0.00 1.97 2.23 0.00 1.83 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.62 1.66 7.81 28 S 8.12 4.19 0.00 3.92 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 29 E 7.78 3.99 0.00 2.04 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 0.00 2.38 2.37 0.00 30 A 8.43 4.21 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 31 Q 9.08 4.45 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.13 0.00 32 A 8.00 4.30 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 0.00 0.00 0.00 0.00 0.00 33 L 7.72 4.31 0.00 2.14 1.77 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.66 4.18 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 0.00 35 W 8.38 4.51 0.00 3.32 3.24 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 36 V 9.17 3.89 1.92 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 0.73 0.00 0.00 0.81 0.00 0.00 37 A 7.53 3.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 7.83 4.37 0.00 3.84 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 39 K 7.94 4.22 0.00 1.66 1.79 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.31 7.81 40 G 7.35 3.01 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 0.00 0.00 0.00 41 N 7.80 5.09 0.00 2.99 2.97 0.00 0.00 6.35 6.67 0.00 0.00 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 L 8.52 4.02 0.00 1.46 1.64 0.51 0.21 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 43 A 8.11 4.21 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 44 D 8.23 4.45 0.00 2.96 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 45 V 7.74 4.20 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 0.87 0.00 0.00 1.10 0.00 0.00 46 A 8.09 4.70 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 47 P 0.00 4.40 0.00 2.03 2.02 0.00 3.73 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 2.03 2.23 0.00 48 G 8.84 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.72 4.54 0.00 1.67 1.59 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.71 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.49 7.81 50 S 8.23 4.43 0.00 2.97 3.45 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 51 I 7.97 4.25 1.82 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.15 0.83 0.00 0.00 52 G 9.08 4.32 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 0.00 53 G 9.62 4.37 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 0.00 54 D 8.01 4.78 0.00 2.71 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 55 I 8.40 4.22 1.89 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 1.25 0.75 0.92 0.00 0.00 56 F 8.95 4.75 0.00 2.89 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 57 S 8.19 3.97 0.00 3.69 3.86 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 58 N 6.54 4.02 0.00 2.82 2.79 0.00 0.00 7.18 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 59 R 6.89 3.77 0.00 1.69 1.90 0.00 3.00 0.00 0.00 3.09 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.49 0.00 60 E 8.12 4.19 0.00 1.99 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 2.29 2.28 0.00 61 G 7.85 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 0.00 0.00 0.00 62 K 8.22 4.16 0.00 1.95 2.09 0.00 1.94 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.50 1.54 7.81 63 L 7.01 4.03 0.00 0.49 0.13 -0.53 -0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.28 0.00 2.32 2.13 0.00 3.02 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.10 0.00 65 G 8.31 4.21 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 0.00 66 K 8.08 4.34 0.00 1.63 1.61 0.00 1.81 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.27 0.92 7.81 *67 S 8.76 4.30 0.00 3.62 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 68 G 8.70 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.92 4.03 0.00 1.55 1.83 0.00 3.22 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.93 0.00 70 T 8.22 4.61 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 1.13 0.00 0.00 71 W 8.69 5.08 0.00 3.51 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 72 R 8.37 5.22 0.00 0.83 1.49 0.00 3.05 0.00 0.00 3.39 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.41 0.00 73 E 9.07 5.40 0.00 2.13 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 2.40 2.34 0.00 74 A 8.74 5.06 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 75 D 9.32 4.97 0.00 2.64 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 76 I 8.18 4.44 1.03 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 1.18 0.49 -0.00 0.00 0.00 77 N 9.10 4.18 0.00 2.78 2.91 0.00 0.00 6.92 7.48 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 78 Y 7.38 4.23 0.00 3.17 2.77 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 79 T 7.39 4.00 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 1.06 0.00 0.00 80 S 6.35 4.35 0.00 3.84 3.64 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 81 G 8.63 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 F 8.60 4.45 0.00 3.17 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 83 R 8.75 4.23 0.00 1.99 1.94 0.00 3.11 0.00 0.00 3.54 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.71 0.00 84 N 8.62 4.86 0.00 2.85 2.97 0.00 0.00 5.98 7.64 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 85 S 8.56 4.23 0.00 3.67 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 86 D 8.34 5.55 0.00 2.82 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 87 R 9.29 5.23 0.00 1.72 1.95 0.00 3.59 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.25 0.00 88 A 9.18 5.43 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 0.00 0.00 0.00 0.00 0.00 0.00 89 L 9.52 5.34 0.00 1.59 1.67 0.39 0.75 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 90 Y 8.70 5.70 0.00 3.27 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 91 S 8.43 4.05 0.00 3.04 2.63 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 0.00 0.00 0.00 92 S 7.84 3.49 0.00 3.69 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 93 D 7.24 4.50 0.00 2.67 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 94 W 6.23 3.84 0.00 3.53 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 95 L 8.59 4.57 0.00 1.58 1.96 1.06 0.89 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 I 8.71 5.48 1.99 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.22 1.20 0.00 0.00 97 Y 9.86 5.28 0.00 2.85 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 98 K 9.40 5.32 0.00 0.91 1.60 0.00 0.87 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.01 1.19 7.81 99 T 9.19 4.95 3.56 0.00 0.00 0.00 0.00 0.00 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 0.00 100 T 8.40 5.05 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 1.24 0.00 0.00 101 D 7.46 4.63 0.00 2.84 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 0.00 102 H 8.50 3.33 0.00 3.25 3.40 0.00 6.00 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.08 3.11 0.00 3.25 3.29 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 0.00 104 Q 7.74 4.21 0.00 2.38 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.62 0.00 0.00 0.00 0.00 0.00 2.39 2.31 0.00 105 T 7.75 4.71 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 1.17 0.00 0.00 106 F 8.79 5.42 0.00 2.91 2.96 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 0.00 107 T 8.95 4.81 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 1.18 0.00 0.00 108 K 8.80 3.41 0.00 1.36 1.52 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.15 0.80 7.81 109 I 8.39 4.49 1.84 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 1.23 0.89 0.84 0.00 0.00 110 R 7.54 4.16 0.00 1.87 1.82 0.00 3.33 0.00 0.00 3.38 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.