NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4756 8.2644 122.4659 51.8032 20.1236 175.5109 3 L 4.3870 8.5456 125.8014 53.2295 44.1046 173.6224 4 T 4.5016 8.7327 124.2152 63.1731 69.7794 175.0628 5 V 4.0346 8.5213 128.4346 61.4331 29.9899 174.5101 6 K 4.2995 8.4655 126.2018 56.6074 33.9825 176.6618 7 D 4.9829 7.5603 117.5507 51.6688 42.8653 177.4159 8 V 3.6599 8.1421 119.8697 66.1644 31.6056 178.1687 9 N 4.3805 8.2098 116.0348 56.2693 38.4341 177.2868 10 I 3.7997 7.6668 119.9913 64.0477 37.0800 178.2023 11 L 4.0307 7.8715 120.8775 58.3407 41.8719 179.1758 12 S 4.1351 8.4530 115.4517 61.7807 62.7592 176.7758 13 Q 3.9896 8.1769 120.7240 58.9611 28.4472 178.1906 14 Y 4.0700 8.2168 120.5042 60.9029 38.8928 178.1819 15 I 3.5265 8.0696 120.8668 64.4546 37.1619 178.6119 16 S 4.1634 8.4267 116.4316 61.4827 62.6415 177.0224 17 G 3.4980 8.0161 108.4698 47.6752 0.0000 175.9678 18 V 3.4240 7.3493 120.6486 66.0004 31.4256 178.1231 19 M 4.0058 8.1397 118.2812 57.9568 31.8969 178.6636 20 A 3.8586 8.0434 121.1114 55.1226 18.5440 179.8050 21 R 3.7951 7.9451 116.3575 59.4546 30.1466 179.2334 22 A 3.9262 7.8722 120.4764 55.0337 18.0912 179.1598 23 D 4.1615 7.9980 115.9871 57.5969 41.3258 177.6494 24 H 4.5637 7.6932 114.9587 57.5706 29.1484 175.9091 25 H 4.9117 8.5661 114.7183 55.5304 31.6021 173.8524 26 A 4.6942 7.8147 121.8444 50.7026 18.7845 176.9769 27 G 3.7243 7.8569 110.9520 46.7856 0.0000 173.3380 28 N 4.5924 8.1438 118.1697 55.5472 39.5002 175.8514 29 V 4.5925 7.6691 108.7326 60.4792 33.6743 176.7057 30 E 3.8600 7.9264 120.7060 59.4361 29.4801 178.5714 31 E 4.0604 8.3534 118.3766 59.5277 29.6135 179.2133 32 I 3.6389 7.9941 117.7071 63.6547 38.0310 177.4360 33 A 3.9402 7.8797 121.8734 55.1059 18.2539 179.6079 34 L 3.8464 7.6585 117.3517 57.8492 41.6511 179.6099 35 A 3.9058 7.7731 120.2780 54.9212 18.3431 179.4520 36 L 3.4568 8.0779 117.7592 57.5230 41.6086 179.4119 37 A 3.9416 7.9945 120.8620 55.1697 18.2491 179.9356 38 G 3.4310 7.7774 103.3619 47.9543 0.0000 175.7623 39 A 4.0635 8.0418 124.0026 54.6599 18.0497 179.8559 40 I 3.6695 7.7196 118.7397 64.5798 36.9592 178.7189 41 L 4.0375 7.6818 118.6033 57.2209 41.4369 179.0652 42 W 4.5173 8.3344 128.0502 60.4888 30.8700 177.6105 43 R 4.0376 7.6005 114.2061 55.0203 30.4498 177.1015 44 K 4.3752 7.2138 119.2129 56.6955 33.5303 177.8320 45 D 4.7411 8.3928 122.0223 53.4290 41.0419 175.8040 46 D 4.6007 8.6065 117.2002 55.8850 41.4466 176.8314 47 T 3.9854 7.7713 117.0460 63.3974 68.8768 173.8732 48 N 4.5675 8.6267 123.6770 53.2200 39.4434 175.0871 49 I 4.1435 8.4813 123.4099 61.6927 38.6912 175.0746 50 K 5.0217 9.0214 124.3934 54.6182 36.4955 175.5223 51 V 4.6835 8.6498 124.2038 61.4651 33.6316 174.3355 52 M 4.7120 9.3299 129.5090 54.7130 33.0403 175.3376 53 A 5.1002 8.5818 125.9580 50.1271 20.8461 176.8193 54 H 4.7633 8.8922 119.7413 54.0076 26.9151 172.6707 55 G 4.1776 8.9514 107.2019 45.2703 0.0000 172.1874 56 A 4.8199 7.5370 119.9097 49.6988 22.2083 176.1433 57 D 4.5142 8.8182 118.9256 56.4899 41.4179 177.0878 58 T 4.5209 7.8899 106.6583 61.7187 69.9244 174.7483 59 K 4.6680 7.9087 123.5262 55.9794 30.8816 175.6650 60 N 5.4000 8.0275 116.7296 52.0618 40.9792 176.5211 61 V 4.5837 9.0168 123.0666 61.0490 34.5056 173.8366 62 L 4.9256 8.8286 130.4805 53.9309 43.6499 174.9581 63 W 5.4905 9.7464 126.9039 55.0923 31.7967 175.4121 64 V 4.9725 9.0587 122.5388 60.6360 35.1525 173.7751 65 T 5.1993 8.6779 118.4619 62.1022 71.1571 173.6030 66 I 4.5637 8.9486 127.4402 60.2353 39.6678 175.3391 67 N 4.1612 9.8896 126.1238 54.6532 36.8742 174.6388 68 G 4.0912 7.8422 102.9804 45.4584 0.0000 173.3052 69 E 4.4470 7.8456 118.8597 54.8259 31.3761 174.4901 70 R 5.0761 8.0072 121.7806 55.0082 32.5122 174.2713 71 Y 5.1446 9.3822 123.5072 56.0522 41.7510 174.1874 72 A 4.4508 8.4176 125.1598 49.8053 21.7822 175.2524 73 F 5.3399 8.7990 121.1928 55.7656 42.3071 174.8655 74 S 4.9738 8.9679 116.5187 57.8211 67.3261 171.9903 75 Y 5.1532 8.6712 121.1144 56.0509 40.9937 173.4982 76 N 4.8487 8.5128 126.4186 52.1359 39.9545 174.9284 77 H 4.2514 8.5818 121.6207 56.7399 29.4775 176.6857 78 S 4.2821 8.1534 117.4210 61.4246 62.9625 175.9035 79 S 4.1666 8.0574 111.9991 58.7743 63.4795 173.4438 80 E 4.0182 7.5828 119.2248 56.8060 27.2957 174.1681 81 K 4.9853 7.2141 115.4797 54.5306 37.0741 176.5395 82 I 4.7235 8.8431 124.3572 61.2706 38.4861 174.8039 83 E 4.7588 9.5858 127.6661 55.2728 31.5878 174.9146 84 M 4.1857 8.9030 124.6998 53.9916 34.1265 174.4293 85 R 4.9236 8.4498 126.0471 54.2971 33.1544 175.4922 86 K 4.4495 8.4987 124.1059 55.6179 34.7466 176.4935 87 G 4.2613 8.9350 111.3245 45.7799 0.0000 172.8223 88 N 5.0630 8.3505 119.6429 51.6131 39.7771 174.9822 *89 I 4.0164 8.3776 120.3212 61.2470 36.4788 172.0114 90 Q 4.1007 8.1926 118.0248 56.6867 28.3211 176.0210 91 G 4.7223 8.4567 109.6352 44.4643 0.0000 170.4723 92 N 5.2012 8.5315 121.0607 51.1295 42.3538 174.0551 93 T 4.1925 8.4719 119.1645 64.2050 68.2943 174.0159 94 I 4.1423 8.5495 120.7902 62.2508 39.2874 175.7700 95 H 4.7839 7.6846 117.7306 54.0771 33.3091 172.2691 96 E 4.9775 8.2784 119.5667 54.5601 32.8320 175.2758 97 F 5.3286 9.0704 121.7247 56.3647 43.3976 174.5696 98 D 5.0730 8.6898 119.5427 53.1417 41.6266 175.3817 99 N 4.5242 8.8150 116.3984 56.0863 38.5439 176.4503 100 S 4.3035 8.2281 111.8251 59.7625 63.6283 174.4146 101 T 4.0094 7.8385 118.6380 62.8680 68.2739 173.0000 102 P 4.3359 0.0000 0.0000 62.5646 32.9788 177.0617 103 L 3.9747 8.6420 123.6336 58.3625 42.0322 179.4455 104 S 4.1339 8.0595 113.7436 61.3441 62.9007 176.3243 105 K 4.0482 7.9345 122.7812 58.9744 32.0625 178.4552 106 L 4.1338 8.0021 120.7713 58.1874 41.9728 179.1229 107 V 3.8390 8.0885 118.3313 66.0188 31.2477 177.4776 108 E 4.0130 8.0991 118.0160 59.3807 29.2289 178.6235 109 I 3.8471 7.9856 119.6323 64.6702 36.7966 178.5852 110 F 3.8481 8.5328 118.2556 59.8588 38.4496 177.8162 111 K 3.9584 8.3686 119.4335 58.9350 32.1542 178.2354 112 G 3.8718 7.4794 102.1842 44.9524 0.0000 173.6186 113 L 4.1057 7.2115 124.9515 54.9965 41.5574 176.8170 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 A 8.26 4.48 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 3 L 8.55 4.39 0.00 1.77 1.66 0.93 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.73 4.50 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 5 V 8.52 4.03 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 0.70 0.00 0.00 0.79 0.00 0.00 6 K 8.47 4.30 0.00 1.74 1.80 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.58 7.81 7 D 7.56 4.98 0.00 2.98 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 8 V 8.14 3.66 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 1.15 0.00 0.00 0.94 0.00 0.00 9 N 8.21 4.38 0.00 2.97 2.86 0.00 0.00 7.18 7.45 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 10 I 7.67 3.80 2.01 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 1.83 0.99 0.94 0.00 0.00 11 L 7.87 4.03 0.00 1.81 1.89 0.99 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.45 4.14 0.00 4.04 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 13 Q 8.18 3.99 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 14 Y 8.22 4.07 0.00 3.10 3.20 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 15 I 8.07 3.53 1.87 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 1.55 0.66 0.85 0.00 0.00 16 S 8.43 4.16 0.00 3.97 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 17 G 8.02 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 0.00 0.00 0.00 18 V 7.35 3.42 1.91 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 0.88 0.00 0.00 0.36 0.00 0.00 19 M 8.14 4.01 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.75 0.00 20 A 8.04 3.86 1.35 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 0.00 0.00 21 R 7.95 3.80 0.00 1.95 1.94 0.00 3.13 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 22 A 7.87 3.93 1.27 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 0.00 0.00 0.00 0.00 0.00 23 D 8.00 4.16 0.00 2.62 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 24 H 7.69 4.56 0.00 2.86 3.06 0.00 5.65 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 H 8.57 4.91 0.00 3.09 3.28 0.00 5.63 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.81 4.69 0.80 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 27 G 7.86 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 0.00 0.00 0.00 28 N 8.14 4.59 0.00 2.88 2.93 0.00 0.00 6.97 7.71 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 29 V 7.67 4.59 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 1.09 0.00 0.00 0.86 0.00 0.00 30 E 7.93 3.86 0.00 1.94 1.95 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 2.27 2.29 0.00 31 E 8.35 4.06 0.00 2.24 1.95 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 2.30 2.29 0.00 32 I 7.99 3.64 1.98 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 1.60 1.33 1.04 0.00 0.00 33 A 7.88 3.94 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 34 L 7.66 3.85 0.00 1.72 1.65 0.87 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.77 3.91 1.18 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 36 L 8.08 3.46 0.00 1.72 1.43 0.96 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.99 3.94 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 38 G 7.78 3.43 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 0.00 39 A 8.04 4.06 0.42 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 40 I 7.72 3.67 1.86 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 1.23 0.60 0.87 0.00 0.00 41 L 7.68 4.04 0.00 1.79 1.76 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.33 4.52 0.00 3.19 3.32 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 43 R 7.60 4.04 0.00 1.82 1.70 0.00 2.21 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 1.38 0.00 44 K 7.21 4.38 0.00 1.88 2.02 0.00 1.64 0.00 0.00 1.79 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.67 1.42 7.81 45 D 8.39 4.74 0.00 2.82 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 46 D 8.61 4.60 0.00 2.69 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 47 T 7.77 3.99 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 1.25 0.00 0.00 48 N 8.63 4.57 0.00 2.62 2.77 0.00 0.00 7.09 7.45 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 49 I 8.48 4.14 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 1.39 0.61 0.86 0.00 0.00 50 K 9.02 5.02 0.00 1.78 1.70 0.00 1.57 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.37 7.81 51 V 8.65 4.68 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 1.06 0.00 0.00 0.32 0.00 0.00 52 M 9.33 4.71 0.00 2.01 2.30 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 2.59 2.67 0.00 53 A 8.58 5.10 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 54 H 8.89 4.76 0.00 3.07 3.29 0.00 5.62 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 55 G 8.95 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 56 A 7.54 4.82 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 57 D 8.82 4.51 0.00 2.67 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 58 T 7.89 4.52 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 1.24 0.00 0.00 59 K 7.91 4.67 0.00 1.83 1.92 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 60 N 8.03 5.40 0.00 2.77 2.92 0.00 0.00 6.93 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 61 V 9.02 4.58 2.39 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 0.60 0.00 0.00 1.12 0.00 0.00 62 L 8.83 4.93 0.00 1.88 1.68 0.83 0.86 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 63 W 9.75 5.49 0.00 3.31 3.16 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 0.00 0.00 0.00 64 V 9.06 4.97 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 1.25 0.00 0.00 1.06 0.00 0.00 65 T 8.68 5.20 4.59 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 1.37 0.00 0.00 66 I 8.95 4.56 2.02 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 1.30 1.42 0.86 0.00 0.00 67 N 9.89 4.16 0.00 2.82 2.87 0.00 0.00 7.33 7.98 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 68 G 7.84 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 69 E 7.85 4.45 0.00 2.19 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 2.43 2.40 0.00 70 R 8.01 5.08 0.00 1.90 1.89 0.00 3.09 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.79 0.00 71 Y 9.38 5.14 0.00 2.97 2.49 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 72 A 8.42 4.45 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 F 8.80 5.34 0.00 2.97 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 74 S 8.97 4.97 0.00 3.96 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 75 Y 8.67 5.15 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 76 N 8.51 4.85 0.00 2.71 2.54 0.00 0.00 6.64 7.53 0.00 0.00 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 H 8.58 4.25 0.00 3.39 3.51 0.00 5.57 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.15 4.28 0.00 3.90 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 79 S 8.06 4.17 0.00 3.92 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 80 E 7.58 4.02 0.00 2.21 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 0.00 2.33 2.39 0.00 81 K 7.21 4.99 0.00 1.58 1.67 0.00 1.71 0.00 0.00 1.87 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.35 7.81 82 I 8.84 4.72 2.22 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.97 1.34 0.00 0.00 83 E 9.59 4.76 0.00 1.83 1.78 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 2.20 2.19 0.00 84 M 8.90 4.19 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.36 0.00 85 R 8.45 4.92 0.00 1.55 1.67 0.00 3.04 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.40 0.00 86 K 8.50 4.45 0.00 1.76 1.56 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.15 0.79 7.81 87 G 8.93 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 0.00 0.00 0.00 0.00 88 N 8.35 5.06 0.00 2.63 2.85 0.00 0.00 5.92 7.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *89 I 8.38 4.02 1.87 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 1.41 0.74 0.91 0.00 0.00 90 Q 8.19 4.10 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.66 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 91 G 8.46 4.72 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 0.00 0.00 0.00 92 N 8.53 5.20 0.00 2.58 2.64 0.00 0.00 7.16 7.05 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 93 T 8.47 4.19 4.16 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 0.00 0.00 1.17 0.00 0.00 94 I 8.55 4.14 1.72 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.55 0.93 0.00 0.00 95 H 7.68 4.78 0.00 2.68 2.37 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 8.28 4.98 0.00 1.68 1.73 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 2.08 2.17 0.00 97 F 9.07 5.33 0.00 3.07 2.89 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 98 D 8.69 5.07 0.00 3.32 2.89 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 99 N 8.82 4.52 0.00 2.76 3.06 0.00 0.00 7.00 7.17 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 0.00 100 S 8.23 4.30 0.00 4.03 4.02 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 0.00 101 T 7.84 4.01 4.47 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 1.46 0.00 0.00 102 P 0.00 4.34 0.00 2.19 2.01 0.00 3.68 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 103 L 8.64 3.97 0.00 1.74 1.66 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 104 S 8.06 4.13 0.00 4.11 4.13 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 0.00 105 K 7.93 4.05 0.00 1.91 2.08 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.62 1.56 7.81 106 L 8.00 4.13 0.00 1.81 1.81 0.54 0.63 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 0.00 107 V 8.09 3.84 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 1.15 0.00 0.00 0.95 0.00 0.00 108 E 8.10 4.01 0.00 2.16 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 2.38 2.41 0.00 109 I 7.99 3.85 2.19 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.16 0.60 0.00 0.00 110 F 8.53 3.85 0.00 3.25 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 0.00 111 K 8.37 3.96 0.00 2.22 1.94 0.00 2.02 0.00 0.00 1.85 0.00 0.00 3.20 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.61 1.89 7.81 112 G 7.48 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 0.00 113 L 7.21 4.11 0.00 1.47 1.45 0.01 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.