NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 Y 4.6703 8.0033 121.6876 57.4033 40.0203 173.7359 26 Q 4.1542 7.2773 123.9528 51.1910 31.9565 173.1026 27 P 4.3803 0.0000 0.0000 60.8321 33.0702 173.2876 28 P 4.5821 0.0000 0.0000 61.9767 31.9412 177.6795 29 S 4.1001 8.6959 113.0470 61.0130 62.7977 174.6807 30 D 4.7645 8.1213 116.9927 53.7823 41.9676 174.8893 31 Y 4.4084 7.5965 118.2737 56.4137 38.4668 174.7711 32 K 4.4775 8.4245 126.4497 54.0943 33.7940 175.6425 33 Q 3.9719 8.6905 127.2231 56.5205 29.3050 175.4773 34 C 4.3675 8.7400 123.5039 59.6853 28.3362 172.6756 35 K 4.3525 8.8021 125.7835 57.2835 34.0908 176.3620 36 H 4.9264 7.8210 114.6759 54.6050 28.6121 174.3978 37 L 4.1995 7.3154 118.7566 54.8217 42.5646 177.8765 38 K 4.4053 8.3150 120.6880 55.3018 33.1428 177.4501 39 S 4.4002 8.4859 117.2985 58.3172 63.6897 173.3008 40 F 4.7473 8.3710 123.0637 55.7958 41.6943 173.5117 41 P 4.4169 0.0000 0.0000 62.2169 29.5365 176.9590 42 V 4.0336 8.2335 124.4760 65.2082 32.1236 178.5470 43 S 4.1817 8.1044 113.8875 61.2406 62.9798 175.4624 44 E 4.0514 7.5312 120.0823 58.7848 27.8560 177.9159 45 L 4.1205 7.3842 119.2614 57.6194 42.1157 179.3462 46 K 4.0477 8.1320 119.0067 59.4393 32.3410 178.0033 47 G 3.8797 7.2798 103.9646 45.9750 0.0000 172.6721 48 D 5.0574 8.3048 117.4999 53.9793 41.2631 177.0807 49 N 4.7561 8.0960 115.9989 53.9332 41.6688 173.7251 50 K 4.5697 7.8031 115.7203 54.9496 34.4483 174.5428 51 E 4.7212 8.2354 118.6627 54.9543 32.5925 173.6662 52 L 4.7276 8.9294 126.8059 54.1779 43.3238 175.9926 53 W 5.1317 8.7413 126.4040 54.9676 32.1329 174.9403 54 L 4.5239 7.9255 118.1702 55.0359 44.5120 173.0951 55 M 5.7519 8.7501 123.4519 51.9734 36.4069 174.7804 56 K 4.6926 8.1137 119.3438 55.5286 31.6295 176.6003 57 V 3.7273 8.0003 118.5185 61.8653 32.2436 173.5961 58 P 4.3219 0.0000 0.0000 62.3456 31.8101 177.4409 59 A 4.0652 8.5033 123.7599 55.2135 18.5984 178.7595 60 N 4.4061 8.3084 112.5739 56.2741 38.7676 175.4660 61 I 4.0468 7.3045 118.3913 60.4875 37.6538 175.3970 62 D 4.6359 8.4731 125.2908 52.9383 39.9467 176.5251 63 I 4.0306 8.1180 126.5490 62.5608 37.5836 177.8599 64 S 4.3314 7.9978 115.3897 61.1806 63.3715 175.7476 65 Q 4.0904 7.6894 118.8817 58.0841 28.6513 177.1668 66 L 3.9865 7.8564 117.5569 55.1869 42.0546 176.7984 67 K 4.2358 8.6630 124.4626 58.2304 32.9083 176.8532 68 S 4.6090 7.5574 110.3808 57.0992 65.8099 174.0462 69 L 4.6999 8.0508 123.8843 53.1745 41.4493 175.7024 70 P 4.5543 0.0000 0.0000 61.7480 29.7426 176.5709 71 L 4.1275 7.7669 122.0214 54.0819 42.6992 176.2200 72 D 4.8168 8.0787 119.5954 52.5380 42.1455 175.7879 73 T 4.0487 8.7553 117.3010 65.0671 68.2661 174.9807 74 D 4.1080 7.7899 119.7760 57.1255 41.3071 177.5644 75 A 4.1843 7.7956 122.3447 53.4927 19.5360 177.0801 76 T 4.4725 8.4889 114.2080 64.3631 71.3013 175.0097 77 V 5.4773 7.9256 120.1719 60.1800 34.1211 174.7633 78 S 4.6803 8.4337 121.5317 57.8613 66.7479 172.8543 79 T 5.5216 8.5839 109.3525 58.6277 69.1516 173.3464 80 V 3.7691 8.2194 128.1568 61.4859 32.2656 174.9706 81 E 4.1181 8.7241 127.9620 56.7072 29.8158 176.3293 82 L 4.3790 8.5842 129.1500 52.4191 40.9559 175.9285 83 G 3.9108 8.8198 115.0340 44.6900 0.0000 171.3268 84 S 4.4521 7.4092 113.7089 56.6987 65.8697 174.1843 85 K 4.0232 7.7362 120.3413 56.1441 32.3714 174.9132 86 N 4.9469 8.4601 121.8800 51.6999 40.1311 174.3214 87 F 5.3246 8.1771 122.7457 55.5147 42.3758 174.6734 88 N 4.9611 8.8800 121.2682 53.3234 39.5624 174.2007 89 V 4.5785 8.8194 124.3138 61.2764 34.5111 174.4014 90 L 5.0978 8.6398 128.5567 52.9161 43.4419 173.8745 91 Q 4.3134 9.4372 125.2812 55.4009 28.2392 176.3970 92 N 4.1824 8.1977 123.3345 56.3896 38.7552 177.1998 93 T 4.3829 7.3469 108.3516 62.1983 67.0832 174.2347 94 S 4.6758 7.6471 113.6141 58.5185 63.5294 173.3611 95 T 4.7177 7.3215 116.6535 61.4886 72.1804 174.5610 96 Q 4.2797 8.3898 122.4057 58.1705 29.5426 177.3430 97 E 4.0881 8.3349 116.9466 59.2454 29.4019 178.5916 98 G 4.5701 7.1752 103.2389 45.2218 0.0000 176.3452 99 S 4.2269 7.8876 116.4774 60.0600 63.5917 174.4870 100 D 4.9949 7.4839 123.6845 52.9649 40.0231 175.8399 101 N 4.8347 7.9289 124.6692 53.6475 39.3279 177.7374 102 T 3.1970 7.6681 110.3316 63.7762 69.2106 175.0184 103 N 4.4533 8.0535 118.2574 54.0361 37.8019 174.4944 104 L 4.7108 7.6283 119.9358 52.9535 43.0814 175.8441 105 S 4.6341 8.4747 117.7150 56.1100 65.9791 172.8077 106 L 4.6985 7.8735 123.1402 53.4247 44.6173 174.7938 107 L 5.1977 8.2469 123.4685 52.8461 45.1802 175.9213 108 I 4.6543 8.9777 116.2950 58.4204 41.1984 172.6846 109 P 4.9041 0.0000 0.0000 60.9282 31.0355 175.5666 110 S 3.9742 8.1050 120.1486 60.6135 63.4662 174.0599 *113 K 4.0871 7.4403 121.7158 55.6925 33.3754 176.1295 114 K 4.2420 8.3051 118.0959 57.3410 32.5254 178.4140 115 E 3.9057 8.0391 119.8813 57.5700 30.3095 175.9191 116 T 4.8003 7.5943 107.3529 59.6527 72.4781 172.7871 117 L 4.8181 8.4663 122.3700 53.2044 43.9948 175.8338 118 K 4.6349 8.6447 121.6409 54.3423 36.1796 175.0284 119 V 4.3637 8.1099 121.0960 61.8323 32.2879 175.5226 120 A 4.2092 7.9782 130.1798 52.3605 18.8465 176.7384 121 T 4.6306 8.5066 112.4902 59.8340 71.1401 172.8529 122 S 4.5602 8.8402 117.8972 59.3929 64.6723 175.1037 123 K 4.4193 7.6803 115.4330 55.2327 34.5509 176.7691 *127 S 3.8773 7.7959 112.2704 57.6317 62.7633 171.3224 128 V 4.1129 7.5157 126.0267 61.6229 33.2007 174.4680 129 Y 4.4915 8.0789 124.3026 55.6944 40.4887 175.5093 130 F 4.9396 7.7324 117.1840 56.8323 39.4274 174.3662 131 D 4.7119 9.2681 116.9277 54.4053 43.8916 176.2303 132 R 3.8699 7.7065 117.6601 54.1104 31.2363 173.3588 133 V 3.9560 7.1998 124.5070 61.2675 33.9571 174.2408 134 F 5.0270 8.7820 124.7308 56.1699 43.4484 173.7209 135 T 4.3911 8.4665 119.2104 61.3362 70.0537 175.0438 136 I 4.4143 7.7397 133.3267 60.4036 35.3823 177.0264 137 S 4.1626 7.9461 120.1877 58.1302 64.2515 176.1427 138 E 3.9793 8.5654 124.0241 56.9311 29.9298 177.2466 139 T 4.1515 8.5961 117.7491 64.0095 68.5924 174.6042 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 25 Y 8.00 4.67 0.00 2.97 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 26 Q 7.28 4.15 0.00 1.87 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 27 P 0.00 4.38 0.00 2.21 2.12 0.00 3.20 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 28 P 0.00 4.58 0.00 2.54 2.15 0.00 3.59 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.04 0.00 29 S 8.70 4.10 0.00 3.99 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 30 D 8.12 4.76 0.00 2.52 2.50 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 31 Y 7.60 4.41 0.00 2.81 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 32 K 8.42 4.48 0.00 1.72 1.72 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.42 7.81 33 Q 8.69 3.97 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 34 C 8.74 4.37 0.00 3.03 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 35 K 8.80 4.35 0.00 1.72 1.82 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.28 1.42 7.81 36 H 7.82 4.93 0.00 3.16 3.26 0.00 5.76 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 37 L 7.32 4.20 0.00 1.78 1.63 1.05 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.32 4.41 0.00 1.80 1.77 0.00 1.79 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.40 7.81 39 S 8.49 4.40 0.00 4.01 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 40 F 8.37 4.75 0.00 2.92 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 41 P 0.00 4.42 0.00 2.05 1.87 0.00 2.30 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.85 0.00 42 V 8.23 4.03 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 1.12 0.00 0.00 43 S 8.10 4.18 0.00 4.01 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 44 E 7.53 4.05 0.00 2.20 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 2.30 2.22 0.00 45 L 7.38 4.12 0.00 1.95 1.71 1.15 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.13 4.05 0.00 1.75 1.90 0.00 1.97 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.52 7.81 47 G 7.28 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 D 8.30 5.06 0.00 2.67 2.67 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 0.00 0.00 0.00 49 N 8.10 4.76 0.00 2.61 2.76 0.00 0.00 7.18 6.68 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 50 K 7.80 4.57 0.00 1.95 1.76 0.00 1.90 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.41 7.81 51 E 8.24 4.72 0.00 2.03 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 2.57 2.38 0.00 52 L 8.93 4.73 0.00 2.02 1.75 1.18 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 53 W 8.74 5.13 0.00 3.20 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 54 L 7.93 4.52 0.00 1.38 0.85 1.10 0.60 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 55 M 8.75 5.75 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.59 0.00 56 K 8.11 4.69 0.00 1.69 1.68 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.75 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.42 7.81 57 V 8.00 3.73 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 0.93 0.00 0.00 1.01 0.00 0.00 58 P 0.00 4.32 0.00 2.13 1.83 0.00 3.49 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.76 0.00 59 A 8.50 4.07 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 60 N 8.31 4.41 0.00 2.79 2.98 0.00 0.00 6.92 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 61 I 7.30 4.05 1.97 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.54 0.99 0.00 0.00 62 D 8.47 4.64 0.00 2.69 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 63 I 8.12 4.03 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 1.50 0.96 0.94 0.00 0.00 64 S 8.00 4.33 0.00 3.98 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 65 Q 7.69 4.09 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 66 L 7.86 3.99 0.00 1.79 1.63 0.95 0.83 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 67 K 8.66 4.24 0.00 1.69 1.80 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.40 7.81 68 S 7.56 4.61 0.00 3.94 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 69 L 8.05 4.70 0.00 1.56 1.57 0.94 1.01 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 70 P 0.00 4.55 0.00 2.07 1.99 0.00 3.71 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 2.00 2.08 0.00 71 L 7.77 4.13 0.00 1.63 1.30 1.08 0.86 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 72 D 8.08 4.82 0.00 2.59 2.56 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 73 T 8.76 4.05 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 1.36 0.00 0.00 74 D 7.79 4.11 0.00 2.86 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 75 A 7.80 4.18 1.30 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 76 T 8.49 4.47 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 1.19 0.00 0.00 77 V 7.93 5.48 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 0.62 0.00 0.00 0.94 0.00 0.00 78 S 8.43 4.68 0.00 3.90 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 79 T 8.58 5.52 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 1.35 0.00 0.00 80 V 8.22 3.77 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 0.82 0.00 0.00 0.96 0.00 0.00 81 E 8.72 4.12 0.00 1.96 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 2.25 2.31 0.00 82 L 8.58 4.38 0.00 1.40 1.50 1.07 1.04 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 83 G 8.82 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 0.00 0.00 0.00 84 S 7.41 4.45 0.00 3.73 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 7.74 4.02 0.00 1.31 0.74 0.00 2.00 0.00 0.00 1.89 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.29 7.81 86 N 8.46 4.95 0.00 2.56 2.76 0.00 0.00 6.96 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 87 F 8.18 5.32 0.00 2.81 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 88 N 8.88 4.96 0.00 2.83 2.78 0.00 0.00 6.18 8.71 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 89 V 8.82 4.58 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 1.04 0.00 0.00 1.04 0.00 0.00 90 L 8.64 5.10 0.00 1.78 1.48 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 9.44 4.31 0.00 2.28 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.49 6.57 0.00 0.00 0.00 0.00 0.00 2.24 1.97 0.00 92 N 8.20 4.18 0.00 2.68 2.72 0.00 0.00 6.46 6.93 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 93 T 7.35 4.38 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 0.87 0.00 0.00 94 S 7.65 4.68 0.00 3.93 3.76 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 95 T 7.32 4.72 4.19 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 1.24 0.00 0.00 96 Q 8.39 4.28 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.08 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 97 E 8.33 4.09 0.00 1.96 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 2.29 2.28 0.00 98 G 7.18 4.57 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 0.00 0.00 0.00 99 S 7.89 4.23 0.00 4.00 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 0.00 100 D 7.48 4.99 0.00 2.56 2.51 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 0.00 101 N 7.93 4.83 0.00 2.93 3.15 0.00 0.00 6.76 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 0.00 102 T 7.67 3.20 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 0.59 0.00 0.00 103 N 8.05 4.45 0.00 2.86 2.97 0.00 0.00 5.93 7.79 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 0.00 104 L 7.63 4.71 0.00 2.00 1.87 1.13 1.41 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 0.00 105 S 8.47 4.63 0.00 3.81 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 0.00 106 L 7.87 4.70 0.00 1.53 1.35 0.86 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 107 L 8.25 5.20 0.00 1.44 1.44 0.88 0.73 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 0.00 108 I 8.98 4.65 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 1.23 0.45 0.52 0.00 0.00 109 P 0.00 4.90 0.00 2.21 2.21 0.00 3.41 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 110 S 8.10 3.97 0.00 4.00 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 *113 K 7.44 4.09 0.00 1.90 1.89 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.41 7.81 114 K 8.31 4.24 0.00 1.82 1.86 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.62 1.43 7.81 115 E 8.04 3.91 0.00 1.90 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 2.26 2.28 0.00 116 T 7.59 4.80 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 1.21 0.00 0.00 117 L 8.47 4.82 0.00 1.49 1.57 0.91 0.79 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 0.00 118 K 8.64 4.63 0.00 1.65 1.66 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.32 7.81 119 V 8.11 4.36 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 0.69 0.00 0.00 0.88 0.00 0.00 120 A 7.98 4.21 1.20 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 0.00 0.00 121 T 8.51 4.63 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 1.24 0.00 0.00 122 S 8.84 4.56 0.00 3.94 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 0.00 123 K 7.68 4.42 0.00 1.70 1.81 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.33 1.41 7.81 *127 S 7.80 3.88 0.00 3.80 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 0.00 128 V 7.52 4.11 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 0.84 0.00 0.00 0.87 0.00 0.00 129 Y 8.08 4.49 0.00 2.94 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.73 4.94 0.00 3.06 3.27 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 0.00 131 D 9.27 4.71 0.00 2.82 2.71 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 0.00 132 R 7.71 3.87 0.00 1.59 0.66 0.00 2.72 0.00 0.00 3.25 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.26 0.00 133 V 7.20 3.96 1.70 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 0.69 0.00 0.00 0.32 0.00 0.00 134 F 8.78 5.03 0.00 2.95 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 0.00 135 T 8.47 4.39 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 1.19 0.00 0.00 136 I 7.74 4.41 1.86 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.46 1.05 0.00 0.00 137 S 7.95 4.16 0.00 3.70 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 0.00 138 E 8.57 3.98 0.00 1.85 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 2.04 0.00 139 T 8.60 4.15 4.33 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 1.25 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.