NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.2754 8.1693 122.4939 54.8115 42.8892 177.0166 5 T 3.9656 8.1331 117.2590 60.3163 70.9956 171.6765 6 E 3.9096 8.4482 121.9313 59.4731 30.1166 179.8997 7 E 3.9738 8.0330 117.1810 59.4863 29.8087 178.9553 8 Q 3.7151 7.8081 118.5623 58.6121 28.6943 178.6549 9 I 3.8775 7.8681 120.5537 63.9361 37.2125 178.2174 10 A 4.1264 7.7875 121.4962 54.7304 18.1763 179.5977 11 E 3.9695 8.1696 117.4343 59.7073 29.5114 179.5178 12 F 4.9276 8.0930 117.8539 60.5808 39.0451 177.7041 13 K 3.5284 8.4618 119.6345 59.1021 31.6765 178.6170 14 E 3.9335 7.9316 118.4843 59.1914 29.4291 178.3544 15 A 4.2509 8.5458 121.0440 54.9572 18.4710 179.3969 16 F 3.3889 8.4724 119.5684 61.4428 39.2080 177.6232 17 S 4.1610 7.8662 113.1908 61.2809 62.5939 176.1819 18 L 4.1306 7.3171 120.1986 57.0289 41.5756 178.7832 19 F 4.3977 7.8210 116.7495 59.2751 40.6796 176.3469 20 D 4.5002 7.6344 119.5314 52.6102 37.9877 176.5083 21 K 3.9503 8.0263 122.3965 58.6620 32.7303 177.9788 22 D 4.4979 8.1240 116.0688 53.0805 39.9872 176.3777 23 G 3.7835 7.7553 107.7851 47.0370 0.0000 173.8788 24 D 4.6020 8.4711 117.2896 52.7289 40.1130 177.2527 25 G 4.2099 9.4169 109.9519 45.3441 0.0000 172.9745 26 T 5.1388 8.0293 108.7227 59.8960 72.3013 173.4346 27 I 4.6376 8.7266 124.7205 60.0057 39.5881 175.9392 28 T 4.8169 8.5882 118.1192 60.6286 70.7964 176.0999 29 T 3.9472 8.4669 111.5455 64.7234 68.6265 176.6869 30 K 3.9858 7.9760 121.0638 59.4341 32.1436 178.9693 31 E 4.0460 8.1380 118.4159 59.1023 29.3618 179.3068 32 L 4.2323 7.9455 118.9373 57.7192 41.6401 179.8365 33 G 3.5858 8.3025 105.6606 48.2331 0.0000 175.9766 34 T 3.8937 8.0779 118.7306 66.2101 68.5238 177.0654 35 V 3.6185 7.9346 120.2735 66.1780 31.5076 178.0920 36 M 4.2079 8.2187 118.5688 58.4574 31.7665 178.9899 37 R 4.7753 8.5810 120.0149 58.5369 30.0367 178.8785 38 S 4.3472 7.8814 112.4302 59.9796 63.0558 175.3457 39 L 4.6659 7.0754 121.1724 54.1384 42.2123 176.5591 40 G 3.8309 7.7917 105.5794 46.3514 0.0000 173.9070 41 Q 4.6671 8.0826 120.1813 54.1821 31.3948 174.1729 42 N 5.4888 8.1232 119.0247 50.9379 38.8405 171.9156 43 P 4.5883 0.0000 0.0000 62.3209 32.8932 177.8048 44 T 4.4240 8.5780 111.6127 60.6285 71.5934 175.7885 45 E 3.9692 8.6463 119.7390 59.6849 29.4093 179.1245 46 A 4.0497 7.9078 121.1297 54.8622 18.6918 179.2915 47 E 3.9852 8.0576 117.1952 59.3880 29.3834 179.4967 48 L 4.0450 8.0493 119.2746 57.6745 41.6353 179.2535 49 Q 3.9869 8.1687 119.7045 59.1835 29.0507 177.8881 50 D 4.3451 8.1483 120.0768 57.2651 40.4410 178.3673 51 M 4.0028 7.9039 118.5040 58.6458 32.1714 178.4356 52 I 3.7201 7.5674 119.9571 64.4141 37.1665 178.1253 53 N 4.3261 8.1473 116.1760 56.1600 38.3167 177.0576 54 E 4.0804 7.8748 119.5483 59.2860 29.6690 178.9466 55 V 4.0256 7.0985 116.7217 64.2545 32.1213 175.4599 56 D 4.6222 8.0476 117.6534 54.0543 39.7749 175.6373 57 A 4.1171 8.8727 129.6688 54.9984 18.5954 178.5600 58 D 4.4756 8.2824 111.6509 53.3977 40.0014 176.8505 59 G 3.8840 8.2098 107.6900 46.6951 0.0000 173.8606 60 N 4.5726 8.0022 113.6572 52.5031 37.5880 176.0990 61 G 3.9511 8.5483 108.4354 45.1930 0.0000 172.8599 62 T 4.7248 7.5332 107.8994 59.8350 72.2941 173.3849 63 I 4.8318 8.2398 121.4977 59.7050 39.8596 176.0354 64 D 5.5106 9.0894 127.8678 51.6560 41.5891 177.3889 65 F 3.9058 8.5748 119.1496 60.7393 39.0157 174.8012 66 P 3.9974 0.0000 0.0000 65.8244 31.0656 178.3399 67 E 3.9638 8.4536 117.1002 59.2675 29.4013 179.0262 68 F 4.0544 8.2356 120.3634 61.2507 39.2900 176.9662 69 L 3.9225 7.9178 120.0213 58.3111 41.8215 179.1578 70 T 3.8219 7.5458 115.7895 66.4670 68.1332 176.3179 71 M 3.8171 7.5615 119.2118 59.1205 32.3303 178.0828 72 M 3.7604 7.2537 116.7711 57.7198 31.8860 178.5669 73 A 4.2204 7.4091 120.4413 54.0736 19.8959 179.1181 74 R 4.2582 7.2239 119.0623 53.0570 28.6220 175.1641 75 K 3.8884 7.5662 122.6999 56.0222 33.1375 175.9429 76 M 4.1101 8.3868 126.7345 55.8311 32.8464 176.8265 *77 K 4.3149 8.3512 127.3495 53.9560 32.8590 173.9199 78 D 4.7410 8.4539 121.1678 53.0265 40.5960 176.2885 79 T 4.3420 8.5988 113.3651 63.2366 69.9293 175.2186 80 D 4.6364 7.8129 116.3331 53.2450 42.5873 175.3827 81 S 4.5705 7.8812 116.2221 57.0603 61.5608 173.0925 82 E 4.1911 8.4413 123.1215 57.5371 30.6732 177.6344 83 E 4.5867 7.7645 121.6004 54.5753 28.7249 175.5644 84 E 4.3316 8.1406 121.7224 58.0087 29.9473 178.4603 85 I 4.0413 7.8233 120.4022 64.5093 37.3644 178.0683 86 R 4.0777 8.2241 119.1421 59.4126 29.7625 178.1584 87 E 4.0198 7.8079 115.9944 59.5193 29.9239 178.9595 88 A 4.3585 8.4148 120.8035 55.0610 18.4114 179.4367 89 F 3.3456 8.6357 119.5155 61.2943 39.1749 177.5978 90 R 3.8143 8.0145 116.6152 58.7096 29.8623 178.7867 91 V 3.6750 7.4005 117.3787 65.5632 31.5325 177.6647 92 F 4.2724 7.9907 116.4087 59.2550 40.7101 176.4895 93 D 4.4506 7.6795 119.9452 52.3845 38.1348 176.4262 94 K 3.8503 7.9765 122.7709 58.9055 32.6162 177.8708 95 D 4.4958 8.1546 114.7036 52.8676 39.6970 176.9783 96 G 3.8951 7.8463 107.5934 46.5129 0.0000 174.3237 97 N 4.5477 8.3018 115.0701 53.2015 37.6148 176.0443 98 G 4.0949 9.9625 108.6507 45.3833 0.0000 172.3185 99 Y 5.0307 8.1439 116.0424 56.2762 41.8073 174.7949 100 I 4.4903 9.2056 126.3709 60.6270 38.8676 175.7924 101 S 5.0726 8.9775 121.7459 56.6201 65.4942 175.2101 102 A 4.0626 8.6902 121.3633 55.1889 18.0185 179.8106 103 A 3.9819 7.9463 118.9952 55.4329 18.5749 179.5965 104 E 3.9114 7.9670 116.8509 59.3062 29.5327 179.2936 105 L 4.1604 8.1305 120.5009 58.2253 42.3067 178.9447 106 R 3.9439 8.2746 118.7398 59.7925 30.0218 178.2424 107 H 4.1248 8.1855 115.9288 58.8929 28.6969 178.0167 108 V 3.5217 7.9116 120.0432 66.0494 31.2636 178.0609 109 M 4.1204 8.1238 118.7286 58.5186 31.7685 178.8548 110 T 3.9103 7.8222 115.6371 66.4760 68.3729 176.4258 111 N 4.3262 7.8654 118.1789 56.3563 39.0802 176.1702 112 L 4.2148 7.6400 117.6225 54.5345 42.4081 176.5820 113 G 3.7328 9.1818 106.7992 45.4155 0.0000 174.1487 114 E 4.5104 8.1532 117.7917 55.0698 32.8757 175.5472 *115 K 4.3362 8.6189 125.2030 53.6204 32.3894 173.2005 116 L 5.0516 8.1082 123.5178 51.4850 45.4574 177.3535 117 T 4.1764 8.2668 118.2880 63.4213 70.4874 176.0139 118 D 4.4268 8.6015 123.0782 57.4260 40.8868 178.8210 119 E 3.9893 8.1258 119.6727 59.1920 29.7370 178.5274 120 E 4.1367 8.0097 118.3423 59.3807 29.6109 179.3145 121 V 3.6528 7.8639 118.4433 65.9703 31.5856 177.6512 122 D 4.3775 8.2849 117.8403 57.1403 41.0150 178.0341 123 E 4.0695 8.2452 119.3931 59.3047 29.3356 179.0213 124 M 4.0937 8.1916 118.9061 58.3433 32.0346 178.8150 125 I 3.7700 7.9341 119.9486 64.5900 37.1060 178.6950 126 R 3.9936 7.7932 117.5258 59.2615 29.8775 178.7108 127 E 4.0787 8.0812 117.5837 59.2382 29.5834 178.7223 128 A 4.4441 7.5589 119.0093 52.7703 18.9542 176.8152 129 D 4.4555 7.8266 116.9503 54.1935 40.8974 176.1161 130 I 3.9798 8.5875 128.2400 64.2816 37.4880 177.6042 131 D 4.3987 8.1133 117.3218 54.4860 39.6227 177.3427 132 G 3.9506 8.4845 108.4384 45.5504 0.0000 173.7976 133 D 4.4345 8.2603 117.8212 53.8045 39.7318 177.3897 134 G 3.9710 9.1943 108.6931 45.5395 0.0000 172.7044 135 Q 4.7029 8.2687 116.9444 54.0283 33.0815 174.5565 136 V 4.5405 8.7543 119.0097 61.2026 32.9311 175.1788 137 N 4.9239 8.7147 128.3035 51.3063 40.4996 174.8169 138 Y 3.1437 7.8876 119.3777 60.8807 38.7601 177.9073 139 E 3.7310 8.0031 118.9508 59.2492 29.6240 178.9848 140 E 4.0110 8.5093 118.7656 58.9079 29.0192 179.0267 141 F 4.0051 7.9235 120.6159 61.0502 39.3999 177.3847 142 V 3.4203 7.5576 117.8148 66.1993 31.1430 177.9285 143 Q 3.9168 7.5875 116.2161 59.3609 28.5767 178.6359 144 M 4.0791 7.6894 118.6287 58.1653 32.0159 177.8901 145 M 4.2727 7.3182 116.3078 55.6643 32.8100 176.2995 146 T 4.1646 7.7348 113.8229 61.5731 69.0164 173.7223 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 4 L 8.17 4.28 0.00 1.65 1.71 1.13 0.88 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 5 T 8.13 3.97 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 1.19 0.00 0.00 6 E 8.45 3.91 0.00 2.01 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 2.37 2.31 0.00 7 E 8.03 3.97 0.00 2.18 2.15 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 2.30 2.31 0.00 8 Q 7.81 3.72 0.00 2.09 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 9 I 7.87 3.88 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.77 1.10 0.00 0.00 10 A 7.79 4.13 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 11 E 8.17 3.97 0.00 1.94 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 2.31 2.36 0.00 12 F 8.09 4.93 0.00 3.40 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 0.00 13 K 8.46 3.53 0.00 2.00 1.83 0.00 1.49 0.00 0.00 1.43 0.00 0.00 2.76 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.00 0.21 7.81 14 E 7.93 3.93 0.00 2.21 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 0.00 2.35 2.41 0.00 15 A 8.55 4.25 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 0.00 0.00 0.00 0.00 0.00 16 F 8.47 3.39 0.00 2.68 2.91 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 17 S 7.87 4.16 0.00 4.08 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 18 L 7.32 4.13 0.00 1.49 1.50 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.82 4.40 0.00 2.88 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 20 D 7.63 4.50 0.00 2.20 2.35 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 21 K 8.03 3.95 0.00 1.76 1.84 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.41 7.81 22 D 8.12 4.50 0.00 2.74 2.78 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 23 G 7.76 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 24 D 8.47 4.60 0.00 2.86 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 25 G 9.42 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 26 T 8.03 5.14 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 27 I 8.73 4.64 1.83 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 0.84 0.47 0.83 0.00 0.00 28 T 8.59 4.82 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 29 T 8.47 3.95 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 30 K 7.98 3.99 0.00 1.83 1.90 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.53 7.81 31 E 8.14 4.05 0.00 2.03 2.27 0.00 0.00 0.00 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 2.35 0.00 32 L 7.95 4.23 0.00 1.94 1.74 0.87 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.30 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.08 3.89 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 35 V 7.93 3.62 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 0.79 0.00 0.00 1.01 0.00 0.00 36 M 8.22 4.21 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.68 0.00 37 R 8.58 4.78 0.00 1.92 1.97 0.00 3.14 0.00 0.00 3.32 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.69 0.00 38 S 7.88 4.35 0.00 4.11 4.08 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 0.00 0.00 0.00 0.00 39 L 7.08 4.67 0.00 1.73 1.66 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.79 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 0.00 0.00 0.00 41 Q 8.08 4.67 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 42 N 8.12 5.49 0.00 2.66 2.65 0.00 0.00 7.04 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 43 P 0.00 4.59 0.00 2.23 2.05 0.00 3.82 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 44 T 8.58 4.42 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 45 E 8.65 3.97 0.00 2.18 2.26 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 2.36 2.33 0.00 46 A 7.91 4.05 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 47 E 8.06 3.99 0.00 2.12 2.01 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 2.33 2.35 0.00 48 L 8.05 4.05 0.00 1.87 1.71 0.97 0.51 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 49 Q 8.17 3.99 0.00 2.34 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.61 0.00 50 D 8.15 4.35 0.00 2.74 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 51 M 7.90 4.00 0.00 2.22 2.16 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 2.55 2.51 0.00 52 I 7.57 3.72 1.86 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 1.51 0.40 0.96 0.00 0.00 53 N 8.15 4.33 0.00 2.83 2.88 0.00 0.00 7.12 7.20 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 54 E 7.87 4.08 0.00 2.10 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 0.00 2.32 2.40 0.00 55 V 7.10 4.03 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 0.80 0.00 0.00 0.93 0.00 0.00 56 D 8.05 4.62 0.00 2.89 2.61 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 0.00 57 A 8.87 4.12 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 58 D 8.28 4.48 0.00 2.78 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 59 G 8.21 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 60 N 8.00 4.57 0.00 2.90 2.94 0.00 0.00 7.05 6.88 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 61 G 8.55 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 62 T 7.53 4.72 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 1.23 0.00 0.00 63 I 8.24 4.83 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.87 1.17 0.00 0.00 64 D 9.09 5.51 0.00 2.88 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 65 F 8.57 3.91 0.00 1.98 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 66 P 0.00 4.00 0.00 2.27 2.02 0.00 3.77 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 67 E 8.45 3.96 0.00 2.26 2.15 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 2.33 2.48 0.00 68 F 8.24 4.05 0.00 3.48 3.37 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 69 L 7.92 3.92 0.00 1.67 1.62 0.86 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 70 T 7.55 3.82 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 1.16 0.00 0.00 71 M 7.56 3.82 0.00 1.84 1.90 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.20 0.00 72 M 7.25 3.76 0.00 0.51 1.13 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.95 0.00 73 A 7.41 4.22 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 74 R 7.22 4.26 0.00 1.77 1.80 0.00 3.31 0.00 0.00 3.13 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 75 K 7.57 3.89 0.00 1.69 1.68 0.00 1.61 0.00 0.00 1.56 0.00 0.00 3.02 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.41 1.47 7.81 76 M 8.39 4.11 0.00 1.97 1.87 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 *77 K 8.35 4.31 0.00 1.82 1.57 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.36 0.99 7.81 78 D 8.45 4.74 0.00 2.81 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 79 T 8.60 4.34 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 80 D 7.81 4.64 0.00 2.75 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 81 S 7.88 4.57 0.00 3.90 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 82 E 8.44 4.19 0.00 2.09 2.23 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 2.29 2.25 0.00 83 E 7.76 4.59 0.00 2.09 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 0.00 2.37 2.49 0.00 84 E 8.14 4.33 0.00 2.14 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 0.00 2.46 2.45 0.00 85 I 7.82 4.04 2.10 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 1.63 0.93 1.14 0.00 0.00 86 R 8.22 4.08 0.00 1.91 2.13 0.00 3.07 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 87 E 7.81 4.02 0.00 2.29 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 0.00 2.55 2.54 0.00 88 A 8.41 4.36 1.80 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 89 F 8.64 3.35 0.00 2.84 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 90 R 8.01 3.81 0.00 2.10 1.97 0.00 3.22 0.00 0.00 3.36 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 91 V 7.40 3.67 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 0.62 0.00 0.00 1.00 0.00 0.00 92 F 7.99 4.27 0.00 2.86 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 93 D 7.68 4.45 0.00 1.78 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 0.00 0.00 0.00 94 K 7.98 3.85 0.00 1.85 1.80 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.73 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.52 7.81 95 D 8.15 4.50 0.00 2.79 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 96 G 7.85 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 0.00 0.00 0.00 97 N 8.30 4.55 0.00 2.96 3.01 0.00 0.00 7.08 7.58 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 98 G 9.96 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 99 Y 8.14 5.03 0.00 2.89 2.93 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 0.00 100 I 9.21 4.49 1.96 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 1.06 0.51 1.01 0.00 0.00 101 S 8.98 5.07 0.00 3.94 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 0.00 102 A 8.69 4.06 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 0.00 103 A 7.95 3.98 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 0.00 104 E 7.97 3.91 0.00 2.19 2.22 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 2.27 2.29 0.00 105 L 8.13 4.16 0.00 1.90 1.90 1.20 0.71 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 0.00 106 R 8.27 3.94 0.00 2.13 2.13 0.00 3.16 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 107 H 8.19 4.12 0.00 3.40 3.30 0.00 5.67 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 0.00 108 V 7.91 3.52 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 0.37 0.00 0.00 0.65 0.00 0.00 109 M 8.12 4.12 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 3.07 0.00 110 T 7.82 3.91 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 1.16 0.00 0.00 111 N 7.87 4.33 0.00 2.82 2.92 0.00 0.00 7.29 7.72 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 0.00 112 L 7.64 4.21 0.00 1.78 1.61 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 113 G 9.18 3.73 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 0.00 0.00 0.00 114 E 8.15 4.51 0.00 2.04 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 2.22 2.35 0.00 *115 K 8.62 4.34 0.00 1.80 1.65 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.71 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 1.02 7.81 116 L 8.11 5.05 0.00 1.58 1.56 1.00 1.00 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 0.00 117 T 8.27 4.18 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 1.21 0.00 0.00 118 D 8.60 4.43 0.00 2.69 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 0.00 119 E 8.13 3.99 0.00 2.08 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 2.38 2.61 0.00 120 E 8.01 4.14 0.00 2.26 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 0.00 2.40 2.37 0.00 121 V 7.86 3.65 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 1.09 0.00 0.00 1.03 0.00 0.00 122 D 8.28 4.38 0.00 3.06 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 0.00 123 E 8.25 4.07 0.00 2.26 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 2.33 2.51 0.00 124 M 8.19 4.09 0.00 2.10 2.31 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.60 0.00 125 I 7.93 3.77 2.05 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.24 1.00 0.00 0.00 126 R 7.79 3.99 0.00 2.02 2.01 0.00 3.17 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 127 E 8.08 4.08 0.00 2.14 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 0.00 2.55 2.46 0.00 128 A 7.56 4.44 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 0.00 129 D 7.83 4.46 0.00 2.85 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 0.00 130 I 8.59 3.98 2.02 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 1.46 0.83 0.91 0.00 0.00 131 D 8.11 4.40 0.00 2.83 2.82 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 0.00 132 G 8.48 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 0.00 133 D 8.26 4.43 0.00 2.81 2.82 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 0.00 134 G 9.19 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 0.00 135 Q 8.27 4.70 0.00 2.33 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.63 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 136 V 8.75 4.54 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 1.24 0.00 0.00 1.01 0.00 0.00 137 N 8.71 4.92 0.00 2.66 2.60 0.00 0.00 6.47 7.63 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 0.00 138 Y 7.89 3.14 0.00 2.16 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 0.00 139 E 8.00 3.73 0.00 2.15 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 2.37 2.44 0.00 140 E 8.51 4.01 0.00 2.19 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 0.00 2.32 2.45 0.00 141 F 7.92 4.01 0.00 3.31 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 0.00 142 V 7.56 3.42 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 0.92 0.00 0.00 0.17 0.00 0.00 143 Q 7.59 3.92 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 144 M 7.69 4.08 0.00 1.78 2.24 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.65 0.00 145 M 7.32 4.27 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 146 T 7.73 4.16 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 1.18 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.