NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3901 0.0000 0.0000 62.1630 33.5633 174.9958 3 K 4.3958 8.4099 123.4628 56.4097 33.3962 170.8162 4 V 5.1437 8.9134 120.2966 59.9926 37.2067 173.5216 5 T 5.1405 8.1327 109.8318 60.2368 71.6066 173.9262 6 V 4.8298 8.8436 123.2949 61.6329 34.8243 174.0472 7 S 5.1792 9.2483 125.3526 57.4884 64.7718 173.3996 8 I 5.0464 9.0227 125.3302 59.3292 40.3035 174.3539 9 K 4.8130 9.1372 128.0218 54.4934 35.1123 174.5828 10 V 4.8018 8.4980 126.8933 61.2511 33.6677 175.1314 11 V 4.4470 9.0412 128.3756 60.2850 32.9909 172.2883 12 P 4.9393 0.0000 0.0000 62.0848 32.3820 177.1042 13 A 4.5158 8.6526 126.0025 50.9407 16.1362 176.9115 14 V 4.5035 7.4215 113.2173 58.0415 36.3613 175.6954 15 E 4.0529 8.6352 122.3548 56.4588 29.9696 177.8180 16 D 4.5220 8.8354 124.9177 56.3372 39.0838 178.7982 17 G 3.7063 8.0607 105.6802 46.5192 0.0000 174.6460 18 R 4.5034 8.0585 118.8261 55.6751 31.1136 177.4211 19 L 3.9374 7.4800 121.5727 58.9682 42.0375 178.7350 20 H 4.1816 8.2276 115.1433 58.7051 28.7750 177.6475 21 E 3.8732 8.0556 120.0636 59.3628 29.4385 179.2419 22 V 3.3688 7.5624 117.8893 66.0291 31.4677 178.0868 23 I 3.6189 7.4991 119.1579 64.4368 36.8565 178.0374 24 D 4.2649 8.1187 119.7024 57.4727 40.6136 179.1696 25 R 3.7770 7.6774 117.8134 58.9362 29.8605 178.9092 26 A 3.9714 7.7911 120.4979 55.2076 18.4069 179.6969 27 I 3.3407 7.7192 118.3347 64.3986 36.9670 178.1373 28 E 3.7324 7.8495 118.7003 59.1131 29.7122 178.4107 29 K 3.7424 7.8784 119.3854 59.6051 32.2959 178.7063 30 I 2.0000 7.2651 120.3082 63.5320 36.6004 178.5088 31 S 3.5000 7.1842 113.9918 60.4735 62.2251 175.9543 32 S 4.3301 7.4496 117.1462 59.6651 62.9064 175.7493 33 W 4.2748 7.6999 121.9802 57.9147 29.6249 175.4798 34 G 3.5147 7.3128 106.2229 45.3347 0.0000 173.3326 *36 K 4.2602 7.4318 119.1626 56.5540 34.0902 174.8407 37 Y 5.4434 8.0603 123.5630 55.6792 41.6348 173.7533 38 E 4.5281 9.3416 121.0766 54.5087 33.0159 174.3472 39 V 4.1781 8.7162 127.5463 62.3064 31.8413 175.2446 40 G 4.2526 8.8846 116.5908 42.7346 0.0000 171.9559 41 P 4.4781 0.0000 0.0000 64.4801 31.2835 177.6988 42 S 4.6557 7.1550 110.5243 57.7251 64.5128 172.7526 43 N 4.7890 7.4404 117.1494 52.8153 40.5428 173.0116 44 T 5.0459 8.8329 115.9036 62.0985 71.7452 173.4470 45 T 5.0575 8.9343 123.3525 62.1208 70.7129 174.1520 46 V 4.9915 8.9231 120.0163 59.6744 34.7713 174.3008 47 E 5.0090 8.9203 124.7062 54.3854 31.7119 175.8648 48 G 3.9580 8.0393 113.6701 44.6927 0.0000 170.9181 49 E 4.5042 8.0321 119.6494 55.5919 30.9091 177.3554 50 F 4.3567 8.5265 128.7009 61.8949 39.6606 177.1333 51 E 3.7911 8.4178 116.5596 59.0154 29.4502 178.6660 52 E 3.9900 8.2710 119.4672 59.0411 29.6229 180.1593 53 I 3.6724 7.4753 118.6727 61.4789 36.6167 177.7591 *55 D 4.4254 8.2528 122.2234 54.4753 42.7312 178.3754 56 R 3.4206 7.4956 118.0286 58.8514 29.6158 179.2727 57 V 3.6955 7.7761 118.4935 65.7066 31.3332 178.2100 58 K 3.9515 7.8042 117.9498 59.4545 31.8811 178.6965 59 E 3.9734 7.8933 119.6381 59.0626 29.5415 178.4343 60 L 4.1255 8.4124 120.5279 58.3016 42.0272 178.8399 61 A 4.2906 8.1998 120.5894 55.4501 18.1478 179.8712 62 R 3.9839 7.7173 115.5920 59.4776 30.3123 178.2667 63 Y 4.3250 8.4554 119.5956 60.9099 38.7874 178.3301 64 L 4.1838 8.3641 119.6032 57.3725 41.5871 178.9374 65 E 4.3514 8.2917 120.6355 58.8919 29.1924 179.3592 66 Q 3.7837 7.2835 114.7554 58.2891 28.5537 177.5917 67 F 4.8098 7.5223 117.9577 57.0213 39.9516 175.9485 68 A 4.6252 7.2179 120.7249 50.9672 22.1438 177.3499 69 K 4.2054 8.8415 123.3112 58.6710 32.7385 177.3936 70 R 4.7380 7.7982 118.6723 54.5523 33.4488 173.7917 71 F 5.3580 8.0228 119.0028 55.8563 41.0223 173.2980 72 V 4.2165 8.9217 121.1354 61.8454 33.0900 174.3438 73 L 5.3444 8.6656 129.1077 53.4974 44.4883 175.1331 74 Q 4.8253 9.3874 125.6448 54.0371 31.9132 174.4739 75 L 5.1814 8.6834 123.0284 52.9479 44.6327 175.4289 76 D 4.8409 9.3141 123.7827 52.7455 43.2732 174.1882 77 I 4.8108 8.3754 126.9654 59.8859 39.2697 175.1663 78 D 4.6928 9.0772 127.8308 53.1292 42.0370 173.9260 79 Y 4.2720 8.4061 127.6120 55.6132 40.3931 174.6804 80 K 4.4134 7.8250 126.6087 53.8770 35.1456 174.8902 81 A 4.1027 8.6939 129.0969 54.1308 18.4583 177.5845 82 G 3.8413 8.3751 111.8918 44.3878 0.0000 173.6688 83 G 4.0343 8.0892 106.5104 45.0319 0.0000 173.2478 84 I 4.6995 8.2428 119.9438 58.4575 41.3430 174.8179 85 T 4.8140 8.4554 116.7361 59.2070 72.8388 175.1956 86 I 3.7256 8.7296 123.2747 64.8628 37.1651 178.3426 87 E 3.9396 8.1703 119.2489 59.4460 29.2681 178.5204 88 E 3.9670 7.8893 117.1459 59.2900 29.5450 179.1161 89 K 4.2722 7.6791 117.8676 58.2957 32.5371 178.2316 90 V 4.6330 7.8801 110.8983 61.4386 34.3073 177.9788 91 S 4.1177 8.3144 115.0290 60.9853 62.9115 176.4890 92 K 3.6963 7.8839 120.9361 58.8242 31.8755 176.4919 93 Y 4.7580 7.5446 114.3408 57.5204 38.0046 175.8257 94 R 4.2436 7.8542 125.4410 56.5338 31.2494 174.9861 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 P 0.00 4.39 0.00 1.84 2.08 0.00 3.75 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 3 K 8.41 4.40 0.00 1.95 1.71 0.00 1.66 0.00 0.00 2.00 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.56 7.81 4 V 8.91 5.14 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 0.37 0.00 0.00 1.17 0.00 0.00 5 T 8.13 5.14 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 1.24 0.00 0.00 6 V 8.84 4.83 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 1.21 0.00 0.00 1.17 0.00 0.00 7 S 9.25 5.18 0.00 3.85 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 8 I 9.02 5.05 1.89 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.98 0.98 0.00 0.00 9 K 9.14 4.81 0.00 1.81 1.65 0.00 1.61 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.46 7.81 10 V 8.50 4.80 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 0.70 0.00 0.00 0.89 0.00 0.00 11 V 9.04 4.45 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 1.07 0.00 0.00 0.97 0.00 0.00 12 P 0.00 4.94 0.00 2.17 2.07 0.00 3.84 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 2.01 1.97 0.00 13 A 8.65 4.52 1.31 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 0.00 0.00 0.00 14 V 7.42 4.50 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 0.80 0.00 0.00 0.96 0.00 0.00 15 E 8.64 4.05 0.00 1.97 1.84 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 2.39 2.26 0.00 16 D 8.84 4.52 0.00 2.98 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 17 G 8.06 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 0.00 0.00 0.00 18 R 8.06 4.50 0.00 1.99 1.95 0.00 3.17 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 19 L 7.48 3.94 0.00 1.75 1.86 0.94 1.17 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 20 H 8.23 4.18 0.00 3.22 3.32 0.00 5.87 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 21 E 8.06 3.87 0.00 2.14 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 2.36 2.34 0.00 22 V 7.56 3.37 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 0.99 0.00 0.00 23 I 7.50 3.62 1.95 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 1.75 0.65 0.83 0.00 0.00 24 D 8.12 4.26 0.00 2.77 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 25 R 7.68 3.78 0.00 1.55 1.68 0.00 2.83 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.50 0.00 26 A 7.79 3.97 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 27 I 7.72 3.34 1.87 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 1.29 0.67 0.79 0.00 0.00 28 E 7.85 3.73 0.00 1.93 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 0.00 2.24 2.25 0.00 29 K 7.88 3.74 0.00 1.63 1.77 0.00 1.68 0.00 0.00 1.36 0.00 0.00 2.13 0.00 0.00 2.23 0.00 0.00 0.00 0.00 1.24 1.54 7.81 30 I 7.27 2.00 1.31 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.30 0.06 0.00 0.00 31 S 7.18 3.50 0.00 3.83 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.45 4.33 0.00 4.09 4.05 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 33 W 7.70 4.27 0.00 3.42 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 34 G 7.31 3.51 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 0.00 *36 K 7.43 4.26 0.00 1.90 1.78 0.00 1.69 0.00 0.00 2.03 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.40 7.81 37 Y 8.06 5.44 0.00 2.98 2.83 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 38 E 9.34 4.53 0.00 1.98 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 2.19 2.19 0.00 39 V 8.72 4.18 2.12 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 0.81 0.00 0.00 1.05 0.00 0.00 40 G 8.88 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 41 P 0.00 4.48 0.00 2.05 2.12 0.00 3.62 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 2.02 2.07 0.00 42 S 7.15 4.66 0.00 4.13 3.92 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 43 N 7.44 4.79 0.00 2.95 2.94 0.00 0.00 6.03 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 44 T 8.83 5.05 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 1.16 0.00 0.00 45 T 8.93 5.06 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 1.27 0.00 0.00 46 V 8.92 4.99 2.31 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 0.74 0.00 0.00 1.23 0.00 0.00 47 E 8.92 5.01 0.00 1.99 1.86 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 2.24 2.25 0.00 48 G 8.04 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 0.00 0.00 0.00 49 E 8.03 4.50 0.00 2.04 1.84 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 2.42 2.33 0.00 50 F 8.53 4.36 0.00 3.12 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 51 E 8.42 3.79 0.00 2.19 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 2.38 2.55 0.00 52 E 8.27 3.99 0.00 2.13 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 2.13 2.23 0.00 53 I 7.48 3.67 1.97 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 1.39 0.66 0.98 0.00 0.00 *55 D 8.25 4.43 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 56 R 7.50 3.42 0.00 0.67 0.66 0.00 2.46 0.00 0.00 2.64 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.50 0.00 57 V 7.78 3.70 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 1.11 0.00 0.00 1.04 0.00 0.00 58 K 7.80 3.95 0.00 1.97 1.83 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.44 7.81 59 E 7.89 3.97 0.00 1.97 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 2.39 2.35 0.00 60 L 8.41 4.13 0.00 2.28 2.07 1.03 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.20 4.29 1.58 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 0.00 0.00 62 R 7.72 3.98 0.00 1.98 2.08 0.00 3.38 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.83 0.00 63 Y 8.46 4.33 0.00 3.17 3.30 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 64 L 8.36 4.18 0.00 1.49 1.11 0.55 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.29 4.35 0.00 2.10 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 2.48 2.58 0.00 66 Q 7.28 3.78 0.00 1.75 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.80 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 67 F 7.52 4.81 0.00 3.05 3.02 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 0.00 0.00 0.00 0.00 68 A 7.22 4.63 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.84 4.21 0.00 1.79 1.90 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.38 7.81 70 R 7.80 4.74 0.00 1.86 1.72 0.00 3.18 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 71 F 8.02 5.36 0.00 3.06 2.97 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 72 V 8.92 4.22 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 1.02 0.00 0.00 0.96 0.00 0.00 73 L 8.67 5.34 0.00 2.04 1.69 1.09 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 9.39 4.83 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.53 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 75 L 8.68 5.18 0.00 1.58 1.67 1.01 1.10 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 76 D 9.31 4.84 0.00 2.78 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 77 I 8.38 4.81 1.94 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 1.55 0.89 0.93 0.00 0.00 78 D 9.08 4.69 0.00 2.74 2.59 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 79 Y 8.41 4.27 0.00 2.81 2.72 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 80 K 7.82 4.41 0.00 1.70 1.47 0.00 1.77 0.00 0.00 2.03 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.38 7.81 81 A 8.69 4.10 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 82 G 8.38 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 0.00 0.00 0.00 83 G 8.09 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 0.00 0.00 0.00 84 I 8.24 4.70 1.83 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 1.35 0.68 0.89 0.00 0.00 85 T 8.46 4.81 4.40 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 1.26 0.00 0.00 86 I 8.73 3.73 1.97 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 1.44 0.57 0.92 0.00 0.00 87 E 8.17 3.94 0.00 2.02 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 2.36 2.39 0.00 88 E 7.89 3.97 0.00 2.17 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 2.34 2.35 0.00 89 K 7.68 4.27 0.00 1.90 1.93 0.00 1.66 0.00 0.00 1.89 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.50 7.81 90 V 7.88 4.63 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 0.86 0.00 0.00 0.96 0.00 0.00 91 S 8.31 4.12 0.00 3.97 4.17 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 92 K 7.88 3.70 0.00 1.41 1.04 0.00 1.17 0.00 0.00 1.49 0.00 0.00 2.75 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.01 1.22 7.81 93 Y 7.54 4.76 0.00 3.04 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 94 R 7.85 4.24 0.00 1.77 1.76 0.00 3.22 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 * Residues marked with a * may have inaccurate shift predictions.