NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.0576 8.0249 121.4432 61.0291 38.5209 174.7438 3 L 4.1521 8.1666 125.4066 51.5683 42.7130 174.4509 4 K 4.4924 8.1023 122.4809 53.8858 34.9311 174.0445 5 P 4.4283 0.0000 0.0000 63.1428 31.6434 175.9116 6 I 4.0856 8.1467 114.8407 60.2123 39.1736 175.0462 7 G 3.2771 6.5434 109.2388 46.0987 0.0000 172.1584 8 V 4.9613 7.5855 117.9208 59.9367 35.2357 174.7042 9 V 4.6555 8.9518 122.3508 61.4137 33.7916 174.4078 10 K 5.5143 9.1818 128.2477 53.7676 34.8321 175.0507 11 S 4.5711 8.5855 120.7756 56.5485 66.2531 171.8698 12 P 4.3299 0.0000 0.0000 62.6842 31.3363 175.8074 13 F 4.9085 7.0833 119.7430 56.4240 38.7787 176.6193 14 K 4.0274 8.7993 126.4262 58.2830 32.5975 177.6970 15 T 4.7912 7.6876 107.0857 59.2084 71.5405 174.6309 16 Q 3.6425 8.8170 121.2649 59.2238 28.7312 178.0466 17 N 4.5261 7.6105 114.0440 54.9198 39.2597 174.9833 18 D 4.6717 8.5744 116.9246 55.7020 42.2976 177.0904 19 A 2.8942 7.5861 120.8326 50.4070 19.0765 175.2627 20 P 4.3426 0.0000 0.0000 62.0712 32.4214 176.4668 21 R 4.0065 8.7321 120.8629 59.0868 30.1766 176.7502 22 Q 4.6451 7.9535 115.9238 53.6873 32.0349 176.3579 23 G 4.2087 9.8182 112.7074 47.7254 0.0000 175.4071 24 R 3.2297 7.6042 118.8285 58.4361 30.0672 176.7223 25 F 4.9393 7.5470 115.1491 57.0076 39.0196 175.1953 26 S 4.8589 7.8690 114.0520 56.8637 65.0260 173.3566 27 D 4.8400 8.7198 123.8155 53.9034 41.3486 176.8444 28 A 4.0909 7.8429 123.0405 52.4407 18.9268 177.0296 29 V 4.4458 8.0810 121.2497 61.5929 33.0283 175.2345 30 S 4.8776 9.1629 123.3541 56.5835 66.9235 172.3685 31 E 5.0623 9.3841 122.7463 54.5194 32.5860 174.7402 32 I 4.5271 8.9250 127.7123 59.7333 39.5675 174.7814 33 A 4.8936 8.4912 131.1782 50.3191 19.9743 175.7239 34 I 4.2996 8.4599 123.3702 61.2322 38.3259 176.9111 35 F 4.7294 8.5963 125.7053 57.5338 39.6587 176.0399 36 D 4.4952 9.2339 124.6163 57.7560 40.6832 178.7970 37 E 4.0513 8.0706 113.9984 57.9448 29.7978 176.5371 38 Y 4.7868 8.2813 116.1851 57.1914 40.2918 177.0783 39 A 4.0132 7.8534 122.4493 55.5585 18.4584 178.6252 40 D 4.6286 8.2014 114.5235 55.9727 41.1919 177.3464 41 G 3.9945 8.5527 104.7860 46.3400 0.0000 174.6655 42 L 4.5697 7.9047 120.6952 53.7787 41.8423 175.1755 43 H 4.0104 7.1521 118.1514 57.9676 30.0500 174.5270 44 K 4.3484 8.7767 124.2055 57.7691 29.1689 178.1466 45 I 3.8473 7.9674 122.0947 63.3442 38.1101 177.4407 46 E 4.1985 8.1130 117.4253 58.1188 29.4328 177.6401 47 N 4.6408 7.8479 115.9122 53.9470 39.1527 174.8369 48 L 4.7353 7.9663 118.8752 53.1117 44.0664 175.9138 49 R 4.3140 8.5054 121.4056 57.5505 31.7950 175.4832 50 H 5.5756 8.1225 115.0993 53.8688 32.3171 173.0898 51 I 4.9538 8.6724 114.7458 59.4661 41.9220 173.6814 52 I 4.9226 8.9985 123.7692 59.7057 39.5318 174.8863 53 V 4.7944 9.2537 127.3049 61.1006 34.0895 174.0504 54 L 5.4461 9.0024 128.2762 53.2335 44.0434 175.1855 55 Y 5.3168 8.9536 121.6275 55.2324 41.9037 173.8885 56 W 5.0258 8.9817 130.6797 56.7596 32.5446 175.4803 *58 D 4.8051 8.7771 114.5019 53.2148 40.7105 176.3745 59 K 4.3354 8.0098 115.8319 55.9513 32.4514 176.2683 60 A 4.2509 7.4430 122.1779 51.2429 19.4603 177.4481 61 S 4.2642 8.3668 115.5665 58.3546 63.1314 174.8241 62 R 5.0299 8.8153 124.4302 55.5548 30.3996 176.7189 63 D 4.9962 7.6740 115.1465 52.5809 39.7922 175.1576 64 K 4.4162 7.9225 120.6831 55.4423 33.4048 175.6777 65 L 4.5217 8.3689 124.0396 54.2756 44.8089 176.0750 66 R 5.1349 7.8949 117.1183 54.2185 33.0322 175.3978 67 V 4.4531 8.7628 121.5872 60.3401 35.6138 174.0563 68 V 4.5221 8.1254 121.7566 60.4345 32.5359 173.6618 69 P 4.3960 0.0000 0.0000 61.4092 31.9622 174.4576 70 P 4.3363 0.0000 0.0000 64.6330 31.2950 176.9241 71 G 3.9379 8.8633 109.0696 45.5811 0.0000 173.3451 72 E 4.4716 7.8261 118.6178 55.8243 30.8541 175.9424 73 T 4.4116 8.3426 115.5252 64.0482 70.7381 174.6617 74 E 4.8733 7.8174 118.6682 54.2524 32.0869 175.9809 75 E 4.7016 8.6047 119.9893 56.4746 31.2351 175.5226 76 R 4.6523 8.7472 115.9536 54.5751 33.6421 174.8154 77 G 3.9046 8.6725 108.7403 45.7790 0.0000 175.3178 78 V 3.5800 8.1587 115.2633 63.8219 31.6720 178.5266 79 F 4.6645 7.6340 116.9143 59.3982 38.9010 175.7072 80 T 4.5295 7.6388 110.0597 61.3221 68.9449 174.1013 81 T 4.6869 7.6556 111.8912 60.9448 71.4591 174.2468 82 R 4.6032 8.3989 121.5277 56.0801 31.0113 176.0094 83 S 4.2276 7.8178 113.4221 57.6553 63.3259 172.8405 84 P 4.2213 0.0000 0.0000 65.5205 31.2441 177.0768 85 S 4.3773 7.7854 113.8351 57.4968 63.9268 173.3457 86 R 4.3574 8.0802 119.2383 54.8590 32.1718 173.3624 87 P 4.6502 0.0000 0.0000 64.5775 31.3282 176.4171 88 N 4.9520 7.6948 114.6499 50.2487 39.4827 172.4044 89 P 4.1904 0.0000 0.0000 62.4230 29.2673 175.8690 90 I 4.2204 7.0727 118.7357 59.8382 38.7739 176.9697 91 G 2.9346 8.6019 116.2254 45.1237 0.0000 171.9301 92 L 5.3155 8.3415 126.3721 53.4294 44.3465 175.2062 93 C 4.9559 9.1600 123.1671 58.0619 32.9892 173.2111 94 V 4.6137 8.4851 122.2261 61.7329 32.3027 175.2469 95 V 4.8671 8.9574 121.1766 59.5755 35.7482 174.1159 96 E 4.7188 7.7855 123.1340 54.1929 31.3048 175.1463 97 I 3.9339 8.6680 129.2904 61.6036 37.0264 175.9636 98 L 4.4922 8.8108 126.5986 55.4965 43.7131 176.2587 99 E 4.6690 7.5929 116.8381 55.2107 33.1491 174.6745 100 V 4.5669 8.3799 117.5404 59.9332 34.4538 175.3261 101 E 4.4178 9.4743 128.8532 54.5916 30.3466 178.5520 102 R 3.9856 8.8736 126.6802 56.4995 28.6072 176.8045 103 N 5.0797 9.2029 119.4363 53.1684 39.6784 175.6171 104 R 5.1853 8.1867 117.7907 54.9544 34.3058 174.3289 105 L 5.1155 8.8114 122.5800 52.8924 45.3224 175.4440 106 K 4.8848 8.9381 123.3019 55.1893 34.1602 176.1971 107 V 5.1152 9.1533 117.5567 59.0381 37.0079 173.9705 108 R 4.8877 7.8134 116.2031 55.4813 33.1655 176.2003 109 W 4.7643 9.2614 118.4149 57.8275 26.7245 173.8028 110 L 4.7355 7.6274 120.5876 54.3080 42.3587 175.9127 111 D 5.0756 8.5595 125.0648 52.8887 39.9671 175.5781 112 A 4.1966 7.8440 121.7960 51.9491 19.9251 178.2570 113 L 4.4071 8.2823 121.4855 54.2211 42.7129 176.3893 114 D 4.4225 9.2771 122.5320 56.3260 41.4051 177.6070 115 G 4.0806 9.4079 115.9301 44.9872 0.0000 173.8955 116 S 4.3891 8.0500 116.7085 58.4728 63.9662 172.4135 117 P 4.8764 0.0000 0.0000 62.5842 32.8724 175.2881 118 V 4.4172 8.7705 123.6919 62.2744 32.7548 176.0159 119 I 4.1668 8.8461 128.2285 62.9152 38.7550 175.1899 120 D 4.6536 7.6421 118.4910 53.5758 44.7106 173.9220 121 I 5.1921 8.1343 121.6462 59.7654 41.2222 174.7065 122 K 4.7876 9.0344 124.4724 54.0744 36.9837 175.3604 123 K 4.4403 8.5709 123.1957 56.6297 32.8410 175.6164 124 Y 4.5526 8.2641 128.4534 57.3327 39.8196 174.8872 125 S 4.0734 9.4243 121.1559 55.8521 64.7705 172.1885 126 P 4.0337 0.0000 0.0000 65.5990 31.1403 178.7957 127 E 4.0151 8.1173 113.8752 58.1821 29.5665 177.3738 128 I 4.3075 7.4883 110.7749 61.1288 39.5074 176.1714 129 D 4.5532 8.2551 120.3648 55.5287 41.2523 176.2613 130 C 4.6790 7.8409 115.9891 57.8184 29.9434 173.2422 131 V 4.1641 8.0081 122.4063 60.7822 32.4410 175.1022 132 N 4.4936 8.7056 125.5209 54.0139 37.7642 175.1619 133 Q 4.1543 8.2740 120.5882 56.5427 28.2161 174.4267 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 8.02 4.06 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.04 0.85 0.00 0.00 3 L 8.17 4.15 0.00 1.41 1.42 0.69 0.56 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 4 K 8.10 4.49 0.00 1.94 1.84 0.00 1.79 0.00 0.00 1.83 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.31 7.81 5 P 0.00 4.43 0.00 2.48 2.20 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.08 0.00 6 I 8.15 4.09 1.53 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.81 0.31 0.00 0.00 7 G 6.54 3.28 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 0.00 8 V 7.59 4.96 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 0.76 0.00 0.00 1.05 0.00 0.00 9 V 8.95 4.66 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 0.82 0.00 0.00 0.85 0.00 0.00 10 K 9.18 5.51 0.00 1.78 1.55 0.00 1.70 0.00 0.00 1.92 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.25 1.25 7.81 11 S 8.59 4.57 0.00 3.30 3.60 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 12 P 0.00 4.33 0.00 2.02 1.98 0.00 2.85 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.59 0.00 13 F 7.08 4.91 0.00 3.10 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 14 K 8.80 4.03 0.00 1.79 1.89 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.39 7.81 15 T 7.69 4.79 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 1.24 0.00 0.00 16 Q 8.82 3.64 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.10 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 17 N 7.61 4.53 0.00 2.49 2.84 0.00 0.00 7.12 8.35 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 18 D 8.57 4.67 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 19 A 7.59 2.89 0.94 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 0.00 0.00 20 P 0.00 4.34 0.00 2.15 1.95 0.00 2.41 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 21 R 8.73 4.01 0.00 1.78 2.07 0.00 3.19 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 22 Q 7.95 4.65 0.00 2.28 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.62 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 23 G 9.82 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 24 R 7.60 3.23 0.00 1.13 0.95 0.00 2.21 0.00 0.00 2.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.79 0.00 25 F 7.55 4.94 0.00 3.11 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 26 S 7.87 4.86 0.00 3.86 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 27 D 8.72 4.84 0.00 2.77 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 28 A 7.84 4.09 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 29 V 8.08 4.45 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 0.75 0.00 0.00 0.88 0.00 0.00 30 S 9.16 4.88 0.00 3.66 3.60 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 31 E 9.38 5.06 0.00 1.90 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 2.14 2.20 0.00 32 I 8.92 4.53 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.61 0.85 0.00 0.00 33 A 8.49 4.89 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 34 I 8.46 4.30 1.88 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 1.18 0.84 1.09 0.00 0.00 35 F 8.60 4.73 0.00 3.33 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 36 D 9.23 4.50 0.00 2.74 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 37 E 8.07 4.05 0.00 1.67 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 1.47 1.69 0.00 38 Y 8.28 4.79 0.00 3.12 2.95 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 39 A 7.85 4.01 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.20 4.63 0.00 2.82 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 41 G 8.55 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 42 L 7.90 4.57 0.00 1.89 1.71 1.00 0.96 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 43 H 7.15 4.01 0.00 3.20 3.29 0.00 5.81 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.78 4.35 0.00 1.99 1.93 0.00 1.98 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.07 1.29 7.81 45 I 7.97 3.85 1.99 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 1.34 1.03 0.91 0.00 0.00 46 E 8.11 4.20 0.00 2.13 2.16 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 2.33 2.25 0.00 47 N 7.85 4.64 0.00 2.91 2.90 0.00 0.00 6.84 7.33 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 48 L 7.97 4.74 0.00 1.69 1.59 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.51 4.31 0.00 1.85 1.80 0.00 2.96 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.09 0.00 50 H 8.12 5.58 0.00 3.32 3.03 0.00 5.81 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 8.67 4.95 2.01 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 1.32 0.95 0.00 0.00 52 I 9.00 4.92 1.96 0.00 0.00 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 1.28 0.86 0.99 0.00 0.00 53 V 9.25 4.79 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 1.09 0.00 0.00 0.97 0.00 0.00 54 L 9.00 5.45 0.00 1.70 1.60 0.96 0.87 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 55 Y 8.95 5.32 0.00 3.23 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 56 W 8.98 5.03 0.00 3.43 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 *58 D 8.78 4.81 0.00 3.01 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 59 K 8.01 4.34 0.00 1.78 1.89 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.40 7.81 60 A 7.44 4.25 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.37 4.26 0.00 3.84 3.69 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 62 R 8.82 5.03 0.00 1.93 2.07 0.00 3.61 0.00 0.00 3.48 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 63 D 7.67 5.00 0.00 2.76 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 64 K 7.92 4.42 0.00 1.68 1.66 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.39 7.81 65 L 8.37 4.52 0.00 1.56 1.53 0.78 0.88 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 66 R 7.89 5.13 0.00 1.60 1.86 0.00 3.46 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 67 V 8.76 4.45 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 0.65 0.00 0.00 0.88 0.00 0.00 68 V 8.13 4.52 2.06 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 0.87 0.00 0.00 0.93 0.00 0.00 69 P 0.00 4.40 0.00 2.20 1.94 0.00 3.65 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 70 P 0.00 4.34 0.00 2.14 2.05 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 71 G 8.86 3.94 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 0.00 0.00 0.00 72 E 7.83 4.47 0.00 2.06 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 2.56 2.40 0.00 73 T 8.34 4.41 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 1.20 0.00 0.00 74 E 7.82 4.87 0.00 1.81 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 2.21 2.21 0.00 75 E 8.60 4.70 0.00 1.92 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 2.24 2.35 0.00 76 R 8.75 4.65 0.00 1.85 2.00 0.00 2.77 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.56 0.00 77 G 8.67 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 78 V 8.16 3.58 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 0.62 0.00 0.00 0.24 0.00 0.00 79 F 7.63 4.66 0.00 3.07 2.99 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 80 T 7.64 4.53 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 1.26 0.00 0.00 81 T 7.66 4.69 4.22 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 1.26 0.00 0.00 82 R 8.40 4.60 0.00 1.77 1.91 0.00 3.38 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 83 S 7.82 4.23 0.00 3.93 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 84 P 0.00 4.22 0.00 2.12 2.17 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.92 0.00 85 S 7.79 4.38 0.00 4.02 3.84 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 86 R 8.08 4.36 0.00 1.85 1.89 0.00 2.68 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.50 0.00 87 P 0.00 4.65 0.00 2.20 2.27 0.00 3.75 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.13 0.00 88 N 7.69 4.95 0.00 2.73 2.91 0.00 0.00 6.91 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 89 P 0.00 4.19 0.00 1.01 1.72 0.00 2.80 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 1.66 2.02 0.00 90 I 7.07 4.22 1.84 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.81 0.98 0.00 0.00 91 G 8.60 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 0.00 0.00 0.00 92 L 8.34 5.32 0.00 1.57 1.52 0.96 0.90 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 93 C 9.16 4.96 0.00 3.02 2.85 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 94 V 8.49 4.61 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 0.42 0.00 0.00 0.97 0.00 0.00 95 V 8.96 4.87 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 0.76 0.00 0.00 0.97 0.00 0.00 96 E 7.79 4.72 0.00 1.16 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 0.00 0.00 0.00 1.81 1.91 0.00 97 I 8.67 3.93 1.77 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.57 0.87 0.00 0.00 98 L 8.81 4.49 0.00 1.44 1.59 0.75 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 99 E 7.59 4.67 0.00 1.95 1.67 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 0.00 2.22 2.27 0.00 100 V 8.38 4.57 2.06 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 0.71 0.00 0.00 0.90 0.00 0.00 101 E 9.47 4.42 0.00 1.94 1.79 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 2.18 2.27 0.00 102 R 8.87 3.99 0.00 2.01 1.76 0.00 3.39 0.00 0.00 3.28 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 103 N 9.20 5.08 0.00 2.90 3.01 0.00 0.00 5.70 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 0.00 104 R 8.19 5.19 0.00 1.86 1.78 0.00 3.26 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 105 L 8.81 5.12 0.00 1.49 1.47 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 106 K 8.94 4.88 0.00 1.66 1.65 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.60 7.81 107 V 9.15 5.12 2.02 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 0.85 0.00 0.00 0.93 0.00 0.00 108 R 7.81 4.89 0.00 1.71 1.79 0.00 2.86 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.50 0.00 109 W 9.26 4.76 0.00 3.52 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 0.00 110 L 7.63 4.74 0.00 1.61 1.58 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.56 5.08 0.00 2.71 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 0.00 112 A 7.84 4.20 0.30 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 0.00 113 L 8.28 4.41 0.00 1.85 1.67 1.04 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 114 D 9.28 4.42 0.00 2.85 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 0.00 115 G 9.41 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 0.00 0.00 0.00 116 S 8.05 4.39 0.00 3.73 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 0.00 117 P 0.00 4.88 0.00 2.25 2.07 0.00 4.07 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.22 0.00 118 V 8.77 4.42 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 0.94 0.00 0.00 0.86 0.00 0.00 119 I 8.85 4.17 2.08 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 1.28 1.22 0.93 0.00 0.00 120 D 7.64 4.65 0.00 2.75 2.47 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 0.00 121 I 8.13 5.19 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 1.36 0.75 0.93 0.00 0.00 122 K 9.03 4.79 0.00 1.70 1.67 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.46 7.81 123 K 8.57 4.44 0.00 1.79 1.73 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.72 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.48 7.81 124 Y 8.26 4.55 0.00 3.10 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 0.00 125 S 9.42 4.07 0.00 3.66 3.50 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 0.00 126 P 0.00 4.03 0.00 2.13 2.10 0.00 3.45 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 127 E 8.12 4.02 0.00 2.04 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 0.00 2.21 2.25 0.00 128 I 7.49 4.31 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.64 0.87 0.00 0.00 129 D 8.26 4.55 0.00 2.64 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 0.00 130 C 7.84 4.68 0.00 3.11 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 0.00 131 V 8.01 4.16 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 0.84 0.00 0.00 0.93 0.00 0.00 132 N 8.71 4.49 0.00 2.75 2.80 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 0.00 133 Q 8.27 4.15 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.65 0.00 0.00 0.00 0.00 0.00 2.49 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.