NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.2780 7.8676 121.4024 61.3694 39.0534 175.2816 3 D 4.7331 8.5739 127.4628 49.9276 40.8402 173.1119 4 V 3.8839 8.7420 117.4583 61.9146 31.7672 179.5574 *6 Q 4.7680 8.2014 120.0453 57.3073 30.7285 177.5236 7 I 3.6441 8.0495 118.9161 64.8587 36.8994 178.3950 8 Q 3.9936 7.5713 116.3560 58.2245 28.8762 178.1990 9 E 4.0683 8.0020 119.8147 59.6252 29.3637 178.7959 10 I 3.4221 7.2551 118.2380 63.1976 37.6739 176.4278 11 L 4.1542 7.9988 121.2499 53.7790 42.2290 175.9301 12 P 4.4485 0.0000 0.0000 64.4106 32.0083 176.5402 13 H 4.3044 8.2887 116.6922 56.2169 29.2776 174.4536 14 R 4.7981 8.2155 120.5170 53.8265 34.0677 174.0692 15 Y 4.4651 8.6437 120.2888 57.8951 39.0106 173.9820 16 P 4.2898 0.0000 0.0000 62.9663 31.9441 175.4038 17 F 4.7183 8.6813 119.1797 58.7350 39.9645 174.0022 18 L 4.4261 8.1596 121.3648 53.4019 41.8493 175.3695 19 L 4.6517 8.2053 125.8257 54.1820 42.0720 176.3217 20 V 4.4763 7.5119 117.9680 61.2925 33.7778 174.8071 21 D 4.6096 8.7193 127.0743 56.1759 41.9057 176.8871 22 K 4.3979 7.2534 117.3315 55.0880 35.8021 174.4393 23 I 4.7983 8.6462 128.2504 60.0921 38.0008 175.7265 24 T 4.3928 8.9028 118.1097 63.3045 70.1724 174.9241 25 E 4.7485 7.9307 121.8751 54.8718 33.4085 173.9239 26 L 4.9040 8.4863 128.3122 54.0463 44.8856 175.0962 27 K 4.5225 9.0184 127.8405 54.3408 33.8136 176.5195 28 V 3.6925 8.5690 124.7053 64.7579 31.6987 176.0938 29 K 4.4678 8.9783 124.1690 57.4356 29.7500 175.5232 30 E 4.6718 7.5778 116.5839 56.5893 32.7205 175.0891 31 V 5.0881 8.3993 117.1812 60.4430 35.5977 173.5792 32 V 4.9720 8.4298 120.9854 60.1153 34.5402 174.3858 33 L 5.0764 9.3604 123.6714 53.1661 45.0250 175.8961 34 G 4.7752 8.8884 109.1615 45.9959 0.0000 170.8008 35 Y 5.3150 8.6744 117.3227 55.4714 42.3228 173.7667 36 K 4.9505 8.9301 120.7898 54.5964 35.4846 174.7327 37 N 4.9203 9.5430 125.7653 53.1895 39.4970 174.4633 38 I 4.4273 8.3361 124.6114 59.6648 39.5958 174.7801 39 S 4.9989 8.5422 120.4193 56.3504 66.1200 174.3225 40 I 4.0813 8.4179 116.4061 62.1290 37.3887 176.9659 41 S 4.3270 8.0257 117.4311 60.2829 63.0996 173.6935 42 D 4.7480 8.3678 122.4566 53.3470 41.5590 176.8107 43 H 4.3511 9.0128 122.2030 58.4833 29.0009 177.0201 44 V 3.4577 8.0604 114.3508 64.2207 31.9421 177.0204 45 F 4.5224 7.2256 119.0909 57.0841 36.8798 175.7077 *47 G 3.8791 7.6751 109.0127 45.6048 0.0000 171.9448 48 H 3.5109 8.1063 122.5105 54.5646 28.6799 176.4001 49 F 4.8294 7.9437 118.9462 57.3866 36.1399 171.5153 50 P 4.3211 0.0000 0.0000 64.2047 31.4458 177.1743 51 G 4.0000 10.0813 110.6190 46.1924 0.0000 173.7929 52 H 4.8837 8.2470 118.3107 54.2310 31.2394 169.8867 53 P 4.8246 0.0000 0.0000 62.8900 32.0683 177.0509 54 I 4.9852 8.5579 125.5274 59.3566 40.7169 174.6367 55 Y 4.2899 9.3576 129.9002 56.6908 39.5102 173.8931 56 P 3.8977 0.0000 0.0000 62.5797 32.2414 176.9611 57 G 3.0598 8.6100 110.3041 48.0951 0.0000 175.9234 58 V 3.7369 7.4369 114.2098 63.9859 31.4675 178.4637 59 L 3.9301 7.5605 118.5452 57.2172 41.1131 179.3439 60 I 3.9659 7.3826 119.4440 64.4869 37.1620 177.8974 61 L 4.1173 7.9601 118.0025 57.9113 41.7001 178.7893 62 E 4.0141 7.9820 118.8227 58.8152 29.4790 179.5551 63 G 3.8884 8.1697 104.4732 44.4960 0.0000 175.0351 *65 A 3.3064 7.9862 125.6284 51.5387 20.6892 180.1061 66 Q 3.8183 7.6924 114.9940 59.0638 28.7448 178.9460 67 T 3.7805 7.5508 116.9291 66.6066 68.4164 176.8938 68 G 3.2293 7.7407 107.0876 47.2502 0.0000 175.6106 69 G 3.7493 7.9022 107.9505 47.8653 0.0000 175.7673 70 V 3.6593 7.5908 121.0771 65.3978 31.3025 177.5148 71 L 3.8955 7.4536 117.9778 58.2302 42.1527 178.4978 72 A 3.0805 7.8661 120.5341 55.0826 18.0176 179.5412 73 F 4.0973 8.1733 115.0122 60.6349 39.0292 176.9288 74 E 4.4870 8.3431 115.6990 56.6321 29.8324 176.6592 75 S 4.7781 8.0719 115.7857 57.6491 64.2182 173.4774 *82 P 4.4188 0.0000 0.0000 62.3455 32.2190 176.2892 83 K 4.2464 7.6552 129.6191 56.5790 35.4380 175.5000 84 S 4.8705 8.5619 118.9502 57.6112 64.8851 173.5630 85 K 4.7564 8.5055 124.9723 55.9076 35.9654 174.6922 86 V 4.6954 9.2691 120.2935 60.4952 34.8658 175.3046 87 V 4.3643 8.5437 122.4930 61.6275 32.5091 173.7781 88 Y 4.8409 8.3252 130.1026 56.0940 40.4556 174.3940 89 F 4.4838 8.9249 126.5536 57.0899 39.1821 175.4039 90 T 4.0644 8.1899 116.5080 62.0680 69.8437 175.1068 91 G 4.3450 7.7170 108.3074 45.2691 0.0000 172.1093 92 I 5.3322 8.2733 122.1880 59.4221 40.9677 174.2359 93 D 4.6354 9.0372 124.6184 52.5431 45.6226 174.8512 94 G 4.0879 8.5786 109.1280 46.3027 0.0000 172.7972 95 A 4.3956 7.7208 119.3247 51.1099 19.8255 178.4378 96 K 4.3020 8.8558 121.8492 54.3984 36.4224 175.2485 97 F 5.1245 8.5235 122.6570 56.4032 40.2087 174.4577 98 R 4.4827 9.7037 123.6556 56.6706 30.6534 176.0431 99 N 5.1576 7.8033 116.8980 50.3068 42.2034 172.8130 100 P 4.5709 0.0000 0.0000 63.1442 32.4485 175.4601 101 V 4.6466 8.4588 120.5501 61.4454 34.2251 174.5348 102 R 5.0396 10.1953 126.2272 53.3180 34.7858 173.0314 103 P 4.2218 0.0000 0.0000 64.6135 31.6449 176.4303 104 G 4.0565 8.8337 111.1727 45.4915 0.0000 173.9317 105 D 4.5290 8.0568 119.7857 54.1013 42.2331 175.5587 106 R 4.4106 8.3528 122.7762 55.2972 31.2516 175.3130 107 L 4.3960 9.0077 130.0074 53.9931 43.2799 174.8654 108 D 4.9381 9.3374 128.4871 53.6260 42.1509 175.5267 109 Y 5.2724 9.1739 122.1806 56.8540 40.4046 174.4687 110 E 5.0872 9.0165 122.5425 54.8453 34.4267 173.9281 *112 S 4.7988 8.3889 116.4814 58.3388 64.8089 173.4627 113 V 4.2485 8.7702 124.1172 62.8603 31.1441 175.9909 114 V 4.1881 8.8892 122.1094 62.4529 32.9768 176.4254 115 K 4.5717 7.6295 119.6334 54.6840 36.1610 174.8167 116 N 4.5172 8.2880 123.1229 51.8766 41.6002 173.7073 117 R 4.2623 8.0358 126.0938 55.1086 33.7988 176.1682 118 G 3.7376 8.7017 115.6582 47.0111 0.0000 174.2081 119 N 4.5953 8.8385 117.7995 52.2322 38.0843 174.8937 *121 W 4.4332 7.5356 117.7138 56.5351 31.7420 176.1546 122 I 4.9575 8.3073 124.2615 59.5794 39.7351 174.4662 123 F 5.4693 9.5666 126.1189 55.5837 42.0857 174.4691 124 K 4.6730 9.2035 124.9150 55.2679 33.1640 175.8915 125 G 4.3861 9.2883 115.0924 44.6097 0.0000 171.7663 126 Q 5.1998 9.3316 121.6271 53.8518 33.7229 173.8969 127 A 5.3361 8.6378 123.4919 50.2604 22.3379 175.2486 128 F 5.3340 9.3043 119.2527 55.7468 44.1303 174.4439 129 V 4.5377 8.4699 120.2568 61.5785 34.4752 175.2019 130 D 4.4838 9.9973 129.2454 55.4774 38.4464 174.8344 131 G 3.7967 8.5102 103.6635 45.6114 0.0000 173.2211 132 N 4.9666 8.0459 118.0897 50.6823 39.9891 174.3128 133 L 3.9084 8.8758 125.4498 55.7808 42.6010 176.5751 134 V 4.5000 8.7251 118.0740 61.7746 34.7507 175.2019 135 A 5.2522 7.6037 120.1118 51.1179 22.7209 174.7811 136 E 5.0904 8.5995 115.7533 55.7379 33.4331 173.8182 137 A 4.8861 8.5104 120.8600 52.3818 23.8236 174.5441 138 E 5.0533 8.9796 120.9985 54.6974 31.7660 174.5439 139 L 5.3267 9.1161 127.3895 53.0030 44.5591 175.1896 140 K 5.1204 9.3632 125.2080 55.0139 34.4966 174.9819 141 A 5.0668 8.4824 128.2247 49.1617 22.4729 174.3493 *143 I 4.1580 8.2276 115.8655 61.7517 38.1879 175.7491 144 V 4.5217 8.6692 126.2053 60.4466 35.8313 175.3314 145 D 4.6616 8.6352 121.7105 54.7008 40.5821 177.3331 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 2 I 7.87 4.28 1.85 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 0.46 0.89 0.00 0.00 3 D 8.57 4.73 0.00 2.96 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 4 V 8.74 3.88 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 0.79 0.00 0.00 0.90 0.00 0.00 *6 Q 8.20 4.77 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.32 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 7 I 8.05 3.64 1.96 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 1.45 0.68 0.84 0.00 0.00 8 Q 7.57 3.99 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 9 E 8.00 4.07 0.00 2.13 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 0.00 2.37 2.37 0.00 10 I 7.26 3.42 1.90 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 1.45 0.37 0.67 0.00 0.00 11 L 8.00 4.15 0.00 1.54 1.62 0.76 1.22 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 12 P 0.00 4.45 0.00 2.17 2.16 0.00 3.94 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 13 H 8.29 4.30 0.00 3.15 3.50 0.00 5.66 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.22 4.80 0.00 1.90 1.85 0.00 3.38 0.00 0.00 3.41 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 15 Y 8.64 4.47 0.00 2.93 2.90 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 16 P 0.00 4.29 0.00 1.93 0.98 0.00 3.58 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.54 0.00 17 F 8.68 4.72 0.00 2.80 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 18 L 8.16 4.43 0.00 1.67 1.64 0.88 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.21 4.65 0.00 1.47 1.63 0.56 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.51 4.48 1.99 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 0.84 0.00 0.00 0.72 0.00 0.00 21 D 8.72 4.61 0.00 2.34 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 22 K 7.25 4.40 0.00 1.37 0.74 0.00 1.53 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.47 7.81 23 I 8.65 4.80 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.70 0.95 0.00 0.00 24 T 8.90 4.39 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 1.44 0.00 0.00 25 E 7.93 4.75 0.00 2.07 1.82 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 2.33 2.34 0.00 26 L 8.49 4.90 0.00 1.65 1.53 0.98 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.02 4.52 0.00 1.84 1.78 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.44 7.81 28 V 8.57 3.69 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 1.08 0.00 0.00 0.99 0.00 0.00 29 K 8.98 4.47 0.00 2.07 1.93 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.68 7.81 30 E 7.58 4.67 0.00 2.35 1.87 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 2.26 2.27 0.00 31 V 8.40 5.09 2.17 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 0.75 0.00 0.00 1.02 0.00 0.00 32 V 8.43 4.97 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 0.79 0.00 0.00 1.00 0.00 0.00 33 L 9.36 5.08 0.00 1.60 1.66 1.01 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.89 4.78 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 35 Y 8.67 5.32 0.00 3.02 3.12 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 36 K 8.93 4.95 0.00 2.09 1.59 0.00 1.69 0.00 0.00 1.49 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.46 7.81 37 N 9.54 4.92 0.00 2.84 2.78 0.00 0.00 6.93 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 38 I 8.34 4.43 1.88 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.79 0.90 0.00 0.00 39 S 8.54 5.00 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 40 I 8.42 4.08 1.89 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 1.38 0.52 0.76 0.00 0.00 41 S 8.03 4.33 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 42 D 8.37 4.75 0.00 2.88 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 43 H 9.01 4.35 0.00 3.34 3.50 0.00 5.59 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.06 3.46 1.60 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 0.38 0.00 0.00 0.42 0.00 0.00 45 F 7.23 4.52 0.00 3.12 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 *47 G 7.68 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 0.00 0.00 0.00 48 H 8.11 3.51 0.00 2.76 2.86 0.00 5.55 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 7.94 4.83 0.00 3.45 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.32 0.00 2.11 2.10 0.00 3.97 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 2.12 2.19 0.00 51 G 10.08 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 52 H 8.25 4.88 0.00 3.10 3.26 0.00 5.78 0.00 0.00 0.00 0.00 6.98 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 4.82 0.00 1.52 1.80 0.00 3.77 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 1.86 1.85 0.00 54 I 8.56 4.99 2.11 0.00 0.00 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 1.34 1.21 1.07 0.00 0.00 55 Y 9.36 4.29 0.00 3.10 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 56 P 0.00 3.90 0.00 1.67 1.47 0.00 2.58 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 1.56 1.28 0.00 57 G 8.61 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 0.00 0.00 0.00 58 V 7.44 3.74 2.05 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 0.89 0.00 0.00 0.78 0.00 0.00 59 L 7.56 3.93 0.00 1.14 1.37 0.52 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.38 3.97 2.14 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.57 1.10 0.00 0.00 61 L 7.96 4.12 0.00 1.77 1.71 1.10 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 62 E 7.98 4.01 0.00 1.98 1.88 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 1.71 2.08 0.00 63 G 8.17 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 *65 A 7.99 3.31 0.48 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 66 Q 7.69 3.82 0.00 1.77 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.75 0.00 0.00 0.00 0.00 0.00 2.00 2.34 0.00 67 T 7.55 3.78 3.93 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 0.00 0.00 1.16 0.00 0.00 68 G 7.74 3.23 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 0.00 69 G 7.90 3.75 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 0.00 0.00 0.00 70 V 7.59 3.66 2.17 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 1.03 0.00 0.00 0.94 0.00 0.00 71 L 7.45 3.90 0.00 1.70 1.85 1.05 1.13 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 A 7.87 3.08 0.45 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 0.00 0.00 73 F 8.17 4.10 0.00 3.19 3.03 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 74 E 8.34 4.49 0.00 2.18 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 2.54 2.52 0.00 75 S 8.07 4.78 0.00 4.09 4.11 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 *82 P 0.00 4.42 0.00 2.23 2.17 0.00 3.79 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 1.91 2.02 0.00 83 K 7.66 4.25 0.00 1.74 1.64 0.00 1.60 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.51 7.81 84 S 8.56 4.87 0.00 3.82 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 85 K 8.51 4.76 0.00 1.68 1.80 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.41 7.81 86 V 9.27 4.70 2.18 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 0.95 0.00 0.00 1.03 0.00 0.00 87 V 8.54 4.36 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 0.54 0.00 0.00 0.10 0.00 0.00 88 Y 8.33 4.84 0.00 2.98 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 89 F 8.92 4.48 0.00 3.01 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 90 T 8.19 4.06 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 1.20 0.00 0.00 91 G 7.72 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 92 I 8.27 5.33 1.88 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 1.24 0.75 0.90 0.00 0.00 93 D 9.04 4.64 0.00 2.71 2.44 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 94 G 8.58 4.09 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 0.00 0.00 0.00 95 A 7.72 4.40 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.86 4.30 0.00 1.49 1.55 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.24 1.27 7.81 97 F 8.52 5.12 0.00 2.95 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 98 R 9.70 4.48 0.00 1.88 1.90 0.00 3.10 0.00 0.00 3.20 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 99 N 7.80 5.16 0.00 2.70 2.72 0.00 0.00 6.90 8.02 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 0.00 100 P 0.00 4.57 0.00 2.15 2.13 0.00 3.76 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 2.04 2.02 0.00 101 V 8.46 4.65 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 1.10 0.00 0.00 1.02 0.00 0.00 102 R 10.20 5.04 0.00 1.59 1.69 0.00 3.20 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 103 P 0.00 4.22 0.00 1.81 1.82 0.00 3.39 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.82 0.00 104 G 8.83 4.06 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 0.00 0.00 0.00 105 D 8.06 4.53 0.00 2.61 2.55 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 0.00 0.00 0.00 106 R 8.35 4.41 0.00 1.67 1.67 0.00 2.21 0.00 0.00 2.65 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.68 0.00 107 L 9.01 4.40 0.00 1.57 1.48 0.88 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 108 D 9.34 4.94 0.00 2.89 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 0.00 109 Y 9.17 5.27 0.00 3.09 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 0.00 110 E 9.02 5.09 0.00 2.31 1.96 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 2.36 2.40 0.00 *112 S 8.39 4.80 0.00 3.97 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 0.00 113 V 8.77 4.25 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 0.66 0.00 0.00 1.35 0.00 0.00 114 V 8.89 4.19 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 0.73 0.00 0.00 1.00 0.00 0.00 115 K 7.63 4.57 0.00 1.69 1.45 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.72 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.35 7.81 116 N 8.29 4.52 0.00 2.06 2.22 0.00 0.00 6.71 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 0.00 117 R 8.04 4.26 0.00 1.60 1.62 0.00 3.37 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.51 0.00 118 G 8.70 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 0.00 119 N 8.84 4.60 0.00 2.70 2.84 0.00 0.00 6.77 7.68 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 *121 W 7.54 4.43 0.00 3.11 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 I 8.31 4.96 1.79 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.64 0.93 0.00 0.00 123 F 9.57 5.47 0.00 3.09 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 0.00 124 K 9.20 4.67 0.00 1.82 1.81 0.00 1.80 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.44 7.81 125 G 9.29 4.39 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 0.00 126 Q 9.33 5.20 0.00 2.03 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.70 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 127 A 8.64 5.34 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 0.00 128 F 9.30 5.33 0.00 2.95 2.87 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 0.00 129 V 8.47 4.54 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 0.97 0.00 0.00 0.98 0.00 0.00 130 D 10.00 4.48 0.00 2.81 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 0.00 131 G 8.51 3.80 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 0.00 0.00 0.00 132 N 8.05 4.97 0.00 2.97 2.81 0.00 0.00 6.62 6.10 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 0.00 133 L 8.88 3.91 0.00 1.65 1.60 0.37 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 134 V 8.73 4.50 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 0.84 0.00 0.00 0.97 0.00 0.00 135 A 7.60 5.25 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 0.00 136 E 8.60 5.09 0.00 2.06 1.90 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 2.10 2.17 0.00 137 A 8.51 4.89 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 0.00 138 E 8.98 5.05 0.00 2.05 1.85 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 2.35 2.32 0.00 139 L 9.12 5.33 0.00 2.01 2.06 0.76 0.90 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 0.00 140 K 9.36 5.12 0.00 1.85 1.68 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.38 7.81 141 A 8.48 5.07 0.44 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 *143 I 8.23 4.16 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.50 0.86 0.00 0.00 144 V 8.67 4.52 2.05 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 0.96 0.00 0.00 0.93 0.00 0.00 145 D 8.64 4.66 0.00 2.70 2.60 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 * Residues marked with a * may have inaccurate shift predictions.